data_18863 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The Solution Structure of Monomeric Hepatitis C Virus p7 Yields Potent Inhibitors of Virion Release ; _BMRB_accession_number 18863 _BMRB_flat_file_name bmr18863.str _Entry_type original _Submission_date 2012-11-27 _Accession_date 2012-11-27 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Structure of the hepatitis C virus (HCV) p7 protein as a monomeric hairpin, solved using a novel combination of chemical shift and nOe based methods in methanol. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Thompson Gary S. . 2 Kalverda Arnout P. . 3 Griffin Steven D.C. . 4 Foster Toshana L. . 5 Sthompson G. . . 6 Kankanala Jayakanth . . 7 Thompson Joseph . . 8 Barker Amy M. . 9 Clarke Dean . . 10 Noerenberg Marko . . 11 Pearson Arwen R. . 12 Rowlands David J. . 13 Homans Steve W. . 14 Harris Mark . . 15 Foster Richard . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 spectral_peak_list 11 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 328 "13C chemical shifts" 278 "15N chemical shifts" 78 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-17 update BMRB 'update entry citation' 2013-08-26 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure-guided design affirms inhibitors of hepatitis C virus p7 as a viable class of antivirals targeting virion release.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24022996 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Foster Toshana L. . 2 Thompson Gary S. . 3 Kalverda Arnout P. . 4 Kankanala Jayakanth . . 5 Bentham Matthew . . 6 Wetherill Laura F. . 7 Thompson Joseph . . 8 Barker Amy M. . 9 Clarke Dean . . 10 Noerenberg Marko . . 11 Pearson Arwen R. . 12 Rowlands David J. . 13 Homans Steven W. . 14 Harris Mark . . 15 Foster Richard . . 16 Griffin Stephen . . stop_ _Journal_abbreviation Hepatology _Journal_name_full 'Hepatology (Baltimore, Md.)' _Journal_volume 59 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 408 _Page_last 422 _Year 2014 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_reference_citation _Saveframe_category citation _Citation_full . _Citation_title 'Structural and functional characterisation of the hepititis C virus proteins p7, NS2-3 and NS5A' _Citation_status published _Citation_type thesis _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Foster Toshana L. . stop_ _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution 'Leeds University' _Thesis_institution_city Leeds _Thesis_institution_country UK _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name MS1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label p7 $p7 stop_ _System_molecular_weight 9058.5093 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_p7 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common p7 _Molecular_mass 9058.5093 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 86 _Mol_residue_sequence ; GPLGSPEFAAMDYKDDDDKA LENLVVLNAASVAGAHGILS FLVFFCAAWYIKGRLAPGAA YAFYGVWPLLLLLLALPPRA YAAAAS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -17 GLY 2 -16 PRO 3 -15 LEU 4 -14 GLY 5 -13 SER 6 -12 PRO 7 -11 GLU 8 -10 PHE 9 -9 ALA 10 -8 ALA 11 -7 MET 12 -6 ASP 13 -5 TYR 14 -4 LYS 15 -3 ASP 16 -2 ASP 17 -1 ASP 18 0 ASP 19 1 LYS 20 2 ALA 21 3 LEU 22 4 GLU 23 5 ASN 24 6 LEU 25 7 VAL 26 8 VAL 27 9 LEU 28 10 ASN 29 11 ALA 30 12 ALA 31 13 SER 32 14 VAL 33 15 ALA 34 16 GLY 35 17 ALA 36 18 HIS 37 19 GLY 38 20 ILE 39 21 LEU 40 22 SER 41 23 PHE 42 24 LEU 43 25 VAL 44 26 PHE 45 27 PHE 46 28 CYS 47 29 ALA 48 30 ALA 49 31 TRP 50 32 TYR 51 33 ILE 52 34 LYS 53 35 GLY 54 36 ARG 55 37 LEU 56 38 ALA 57 39 PRO 58 40 GLY 59 41 ALA 60 42 ALA 61 43 TYR 62 44 ALA 63 45 PHE 64 46 TYR 65 47 GLY 66 48 VAL 67 49 TRP 68 50 PRO 69 51 LEU 70 52 LEU 71 53 LEU 72 54 LEU 73 55 LEU 74 56 LEU 75 57 ALA 76 58 LEU 77 59 PRO 78 60 PRO 79 61 ARG 80 62 ALA 81 63 TYR 82 64 ALA 83 65 ALA 84 66 ALA 85 67 ALA 86 68 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-02 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 25178 entity 73.26 63 98.41 98.41 4.39e-32 BMRB 25181 entity 73.26 63 98.41 98.41 4.39e-32 PDB 2MTS "Three-dimensional Structure And Interaction Studies Of Hepatitis C Virus P7 In 1,2-dihexanoyl-sn-glycero-3-phosphocholine By So" 73.26 63 98.41 98.41 4.39e-32 PDB 3ZD0 "The Solution Structure Of Monomeric Hepatitis C Virus P7 Yields Potent Inhibitors Of Virion Release" 100.00 86 100.00 100.00 4.74e-51 DBJ BAA01583 "polyprotein precursor [Hepatitis C virus]" 75.58 3010 96.92 98.46 6.78e-32 DBJ BAA02756 "polyprotein precursor [Hepatitis C virus]" 75.58 3010 96.92 98.46 7.98e-32 EMBL CAH23571 "polyprotein, partial [Hepatitis C virus subtype 1b]" 73.26 63 98.41 98.41 7.92e-33 EMBL CAH23600 "polyprotein, partial [Hepatitis C virus subtype 1b]" 73.26 63 98.41 98.41 6.80e-33 EMBL CAK19390 "polyprotein, partial [Hepatitis C virus]" 73.26 63 98.41 98.41 6.80e-33 EMBL CDU41873 "protein p7, partial [Hepatitis C virus]" 73.26 63 98.41 98.41 6.80e-33 EMBL CDU41874 "protein p7, partial [Hepatitis C virus]" 73.26 63 98.41 98.41 6.80e-33 GB AAC15722 "polyprotein [Hepatitis C virus subtype 1b]" 75.58 3010 96.92 98.46 6.46e-32 GB AAC15723 "polyprotein [Hepatitis C virus subtype 1b]" 75.58 3010 96.92 98.46 6.78e-32 GB AAC15724 "polyprotein [Hepatitis C virus subtype 1b]" 75.58 3010 96.92 98.46 6.34e-32 GB AAC15725 "polyprotein [Hepatitis C virus subtype 1b]" 75.58 3010 96.92 98.46 6.78e-32 GB AAC15726 "polyprotein, partial [Hepatitis C virus]" 75.58 2864 96.92 98.46 6.26e-32 SP O92972 "RecName: Full=Genome polyprotein; Contains: RecName: Full=Core protein p21; AltName: Full=Capsid protein C; AltName: Full=p21; " 75.58 3010 96.92 98.46 6.78e-32 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Variant _Gene_mnemonic $p7 'Hepatitis C virus' 11103 Viruses . Hepacivirus 'Hepatitis C virus' 1b 'j4 isolate' p7 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name _Details $p7 'recombinant technology' 'ESCHERICHIA COLI' Escherichia coli BL21(DE3) pGEX-FLAGp7(j4) PGEX-FLAGP7(J4) 'Clarke et al., JBC 2006, PMID:17032656' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_methanol_CN _Saveframe_category sample _Sample_type solution _Details 'solvent was deuterated' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $p7 0.0005 mol/mol '[U-100% 13C; U-100% 15N]' stop_ save_ save_methanol_N _Saveframe_category sample _Sample_type solution _Details 'solvent was deuterated' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $p7 0.0005 mol/mol '[U-100% 15N]' stop_ save_ save_methanol_H _Saveframe_category sample _Sample_type solution _Details 'solvent was deuterated' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $p7 0.0005 mol/mol 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Aria _Saveframe_category software _Name ARIA _Version 2.2u3 loop_ _Vendor _Address _Electronic_address 'Nilges group, Institute Pasteur' ; Nilges Group Institut Pasteur Unite de Bioinformatique Structurale 25-28 rue du Dr Roux F-75724 Paris CEDEX 15 France ; http://aria.pasteur.fr/ stop_ loop_ _Task 'structure calculation nOe assignment' stop_ _Details 'Aria combined nOe assignment ans stucture calculation protocol' save_ save_AutoDep _Saveframe_category software _Name AutoDep _Version 4.3 loop_ _Vendor _Address _Electronic_address PDBe . . stop_ loop_ _Task collection stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'CNS Developers' 'J. W. Gibbs building, 260 Whitney Ave New Haven, CT 06520-8241' cns.csb.yale.edu/v1.1/ stop_ loop_ _Task 'molecular synamics' stop_ _Details 'CNS molecular dynamics package' 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 deposition stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ save_MEMBRANE_CS_ROSETTA-ARIA_2-2U3-CNS _Saveframe_category software _Name MEMBRANE_CS_ROSETTA-ARIA_2-2U3-CNS _Version any loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Rosetta_3 _Saveframe_category software _Name Rosetta_3 _Version 3 loop_ _Vendor _Address _Electronic_address 'rosetta commons/ baker lab' ; rosetta commons c/o d baker University of Washington Molecular Engineering & Sciences 3946 W Stevens Wy NE Box 351655 Seattle, WA 98195 ; https://www.rosettacommons.org/ stop_ loop_ _Task 'structure calculation' stop_ _Details 'rosetta structure prediction software' save_ save_Talos _Saveframe_category software _Name TALOS _Version 2007.068.09.0 loop_ _Vendor _Address _Electronic_address 'bax group' ; Ad Bax,Laboratory of Chemical Physics, NIDDK, NIH, Bldg 31, Rm 9A06 31 Center Drive, MSC 2560 Bethesda, MD 20892-2560 USA 301.496.3583 ; http://spin.niddk.nih.gov/NMRPipe/talos/#old%20talos stop_ loop_ _Task 'secondary structure' stop_ _Details 'Talos chemical shift based secondary structure prediction program' save_ save_cs_rosetta _Saveframe_category software _Name CS-Rosetta _Version 1.01 loop_ _Vendor _Address _Electronic_address 'bax group' ; Ad Bax,Laboratory of Chemical Physics, NIDDK, NIH, Bldg 31, Rm 9A06 31 Center Drive, MSC 2560 Bethesda, MD 20892-2560 USA 301.496.3583 ; http://spin.niddk.nih.gov/bax/software/CSROSETTA/ stop_ loop_ _Task 'structure calculation' stop_ _Details 'Chemical shift based structure calculation using rosetta' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityInova _Field_strength 600 _Details '600 room temperature probe' save_ save_750cp _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityInova _Field_strength 750 _Details '750 with cryoprobe' save_ save_500 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityInova _Field_strength 500 _Details '500 room temperature probe' save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $methanol_CN save_ save_2D_1H-15N_HSQC/HMQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC/HMQC' _Sample_label $methanol_CN save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $methanol_CN save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $methanol_CN save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $methanol_CN save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $methanol_CN save_ save_hCcacoNH_(hC_cacoNH.relayed)_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'hCcacoNH (hC_cacoNH.relayed)' _Sample_label $methanol_CN save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $methanol_CN save_ save_HNHA_(H{[N]+[HA]})_9 _Saveframe_category NMR_applied_experiment _Experiment_name 'HNHA (H{[N]+[HA]})' _Sample_label $methanol_N save_ save_3D_HCCH-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $methanol_CN save_ save_hCCHtocsy_(hC_CH.relayed)_11 _Saveframe_category NMR_applied_experiment _Experiment_name 'hCCHtocsy (hC_CH.relayed)' _Sample_label $methanol_CN save_ save_2D_1H-13C_HSQC/HMQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC/HMQC' _Sample_label $methanol_CN save_ save_3D_HCCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $methanol_CN save_ save_2D_1H-1H_TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $methanol_H save_ save_2D_1H-1H_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $methanol_H save_ save_2D_1H-1H_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $methanol_H save_ save_hbCBcgcdHD_(hbCBcgcdHD)_17 _Saveframe_category NMR_applied_experiment _Experiment_name 'hbCBcgcdHD (hbCBcgcdHD)' _Sample_label $methanol_CN save_ save_2D_1H-13C_HSQC/HMQC_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC/HMQC' _Sample_label $methanol_CN save_ save_13C_HSQC_HCcaro_(H[C[caro]])_19 _Saveframe_category NMR_applied_experiment _Experiment_name '13C_HSQC_HCcaro (H[C[caro]])' _Sample_label $methanol_CN save_ save_3D_1H-15N_NOESY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $methanol_N save_ save_13C_HSQC_HCCARO_21 _Saveframe_category NMR_applied_experiment _Experiment_name 13C_HSQC_HCCARO _Sample_label $methanol_CN save_ save_15N_HSQC_22 _Saveframe_category NMR_applied_experiment _Experiment_name 15N_HSQC _Sample_label $methanol_CN save_ save_HNCA_23 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $methanol_CN save_ ####################### # Sample conditions # ####################### save_methanol_25c _Saveframe_category sample_conditions _Details '100 percent methanol' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.000 1e-06 M pH 0.000 1e-06 pH pressure 1.000 0.03 atm temperature 298.000 0.1 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 '3D HNCA' '2D 1H-15N HSQC/HMQC' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '2D 1H-13C HSQC/HMQC' '2D 1H-1H NOESY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $methanol_CN $methanol_H $methanol_N stop_ _Sample_conditions_label $methanol_25c _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name p7 _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 -16 2 PRO C C 176.672 0.298 1 2 -15 3 LEU H H 8.276 0.007 1 3 -15 3 LEU C C 177.985 0.298 1 4 -15 3 LEU CA C 56.624 0.073 1 5 -15 3 LEU N N 121.285 0.025 1 6 -14 4 GLY H H 8.059 0.004 1 7 -14 4 GLY C C 174.678 0.298 1 8 -14 4 GLY CA C 46.200 0.073 1 9 -14 4 GLY N N 107.315 0.017 1 10 -13 5 SER H H 8.121 0.004 1 11 -13 5 SER CA C 58.908 0.073 1 12 -13 5 SER N N 115.312 0.021 1 13 -12 6 PRO C C 178.976 0.298 1 14 -11 7 GLU H H 7.932 0.012 1 15 -11 7 GLU CA C 60.787 0.073 1 16 -11 7 GLU N N 116.928 0.033 1 17 -10 8 PHE H H 7.623 0.011 1 18 -10 8 PHE C C 178.920 0.298 1 19 -10 8 PHE CA C 61.877 0.073 1 20 -10 8 PHE N N 119.237 0.076 1 21 -9 9 ALA H H 8.020 0.008 1 22 -9 9 ALA C C 180.319 0.298 1 23 -9 9 ALA CA C 56.826 0.073 1 24 -9 9 ALA N N 122.374 0.045 1 25 -8 10 ALA H H 8.247 0.002 1 26 -8 10 ALA C C 181.157 0.298 1 27 -8 10 ALA CA C 56.944 0.073 1 28 -8 10 ALA N N 120.510 0.012 1 29 -7 11 MET H H 7.782 0.008 1 30 -7 11 MET C C 177.449 0.298 1 31 -7 11 MET CA C 60.079 0.073 1 32 -7 11 MET N N 117.782 0.085 1 33 -6 12 ASP H H 8.187 0.006 1 34 -6 12 ASP CA C 57.823 0.073 1 35 -6 12 ASP N N 120.169 0.09 1 36 -1 17 ASP H H 8.054 0.002 1 37 -1 17 ASP C C 179.639 0.298 1 38 -1 17 ASP CA C 63.262 0.073 1 39 -1 17 ASP N N 120.632 0.033 1 40 0 18 ASP H H 8.802 0.016 1 41 0 18 ASP C C 178.853 0.298 1 42 0 18 ASP CA C 63.418 0.073 1 43 0 18 ASP CB C 40.704 0.054 1 44 0 18 ASP N N 120.786 0.048 1 45 1 19 LYS H H 8.402 0.012 1 46 1 19 LYS C C 178.133 0.298 1 47 1 19 LYS CA C 65.866 0.073 1 48 1 19 LYS N N 117.974 0.114 1 49 2 20 ALA H H 8.306 0.021 1 50 2 20 ALA HA H 4.034 0.018 1 51 2 20 ALA HB H 1.411 0.0 1 52 2 20 ALA C C 181.166 0.298 1 53 2 20 ALA CA C 57.066 0.037 1 54 2 20 ALA CB C 19.302 0.054 1 55 2 20 ALA N N 122.859 0.049 1 56 3 21 LEU H H 8.029 0.01 1 57 3 21 LEU HA H 4.032 0.015 1 58 3 21 LEU HB2 H 1.711 0.02 1 59 3 21 LEU HB3 H 1.693 0.039 1 60 3 21 LEU HG H 1.739 0.022 1 61 3 21 LEU HD1 H 0.876 0.021 1 62 3 21 LEU HD2 H 0.821 0.021 1 63 3 21 LEU C C 180.035 0.298 1 64 3 21 LEU CA C 59.761 0.068 1 65 3 21 LEU CB C 43.422 0.054 1 66 3 21 LEU CG C 28.650 0.041 1 67 3 21 LEU CD1 C 25.726 0.041 1 68 3 21 LEU CD2 C 25.228 0.041 1 69 3 21 LEU N N 118.765 0.043 1 70 4 22 GLU H H 8.188 0.007 1 71 4 22 GLU HA H 3.891 0.024 1 72 4 22 GLU HB2 H 2.166 0.021 1 73 4 22 GLU HB3 H 2.085 0.037 1 74 4 22 GLU HG2 H 2.195 0.004 1 75 4 22 GLU HG3 H 2.182 0.016 1 76 4 22 GLU C C 179.414 0.298 1 77 4 22 GLU CA C 60.889 0.002 1 78 4 22 GLU CB C 29.526 0.054 1 79 4 22 GLU N N 119.423 0.11 1 80 5 23 ASN H H 8.390 0.004 1 81 5 23 ASN HA H 4.325 0.019 1 82 5 23 ASN HB2 H 3.029 0.008 1 83 5 23 ASN HB3 H 2.590 0.015 1 84 5 23 ASN HD21 H 7.528 0.006 1 85 5 23 ASN HD22 H 6.735 0.01 1 86 5 23 ASN C C 178.905 0.298 1 87 5 23 ASN CA C 57.785 0.05 1 88 5 23 ASN CB C 39.525 0.012 1 89 5 23 ASN N N 118.452 0.141 1 90 5 23 ASN ND2 N 108.404 0.061 1 91 6 24 LEU H H 7.950 0.006 1 92 6 24 LEU HA H 4.020 0.016 1 93 6 24 LEU HB2 H 1.872 0.021 1 94 6 24 LEU HB3 H 1.816 0.021 1 95 6 24 LEU HG H 1.723 0.018 1 96 6 24 LEU HD1 H 0.870 0.01 1 97 6 24 LEU HD2 H 0.839 0.008 1 98 6 24 LEU C C 180.102 0.298 1 99 6 24 LEU CA C 59.954 0.106 1 100 6 24 LEU CB C 43.540 0.085 1 101 6 24 LEU CG C 28.642 0.041 1 102 6 24 LEU CD1 C 25.335 0.041 1 103 6 24 LEU CD2 C 25.302 0.041 1 104 6 24 LEU N N 120.983 0.077 1 105 7 25 VAL H H 8.144 0.008 1 106 7 25 VAL HA H 3.607 0.009 1 107 7 25 VAL HB H 2.300 0.003 1 108 7 25 VAL HG1 H 1.056 0.011 1 109 7 25 VAL HG2 H 0.900 0.005 1 110 7 25 VAL CA C 68.709 0.009 1 111 7 25 VAL CB C 33.377 0.054 1 112 7 25 VAL CG1 C 24.319 0.041 1 113 7 25 VAL CG2 C 22.614 0.041 1 114 7 25 VAL N N 120.915 0.12 1 115 8 26 VAL C C 179.182 0.298 1 116 9 27 LEU H H 8.317 0.019 1 117 9 27 LEU HA H 4.016 0.018 1 118 9 27 LEU HB2 H 1.787 0.021 1 119 9 27 LEU HB3 H 1.622 0.012 1 120 9 27 LEU HG H 1.617 0.021 1 121 9 27 LEU HD1 H 0.862 0.021 1 122 9 27 LEU HD2 H 0.808 0.021 1 123 9 27 LEU C C 181.007 0.298 1 124 9 27 LEU CA C 59.809 0.073 1 125 9 27 LEU CB C 43.430 0.009 1 126 9 27 LEU CG C 28.853 0.041 1 127 9 27 LEU CD1 C 25.318 0.041 1 128 9 27 LEU CD2 C 25.305 0.041 1 129 9 27 LEU N N 120.973 0.036 1 130 10 28 ASN H H 8.527 0.025 1 131 10 28 ASN HA H 4.401 0.004 1 132 10 28 ASN HB2 H 2.900 0.001 1 133 10 28 ASN HB3 H 2.624 0.021 1 134 10 28 ASN HD21 H 7.524 0.021 1 135 10 28 ASN HD22 H 6.742 0.021 1 136 10 28 ASN C C 178.841 0.298 1 137 10 28 ASN CA C 58.505 0.06 1 138 10 28 ASN CB C 40.370 0.067 1 139 10 28 ASN N N 120.287 0.15 1 140 10 28 ASN ND2 N 108.891 0.002 1 141 11 29 ALA H H 8.517 0.031 1 142 11 29 ALA HA H 3.983 0.016 1 143 11 29 ALA HB H 1.397 0.021 1 144 11 29 ALA C C 181.060 0.298 1 145 11 29 ALA CA C 57.268 0.069 1 146 11 29 ALA CB C 19.354 0.054 1 147 11 29 ALA N N 123.441 0.144 1 148 12 30 ALA H H 8.569 0.014 1 149 12 30 ALA HA H 4.016 0.022 1 150 12 30 ALA HB H 1.476 0.018 1 151 12 30 ALA C C 181.423 0.298 1 152 12 30 ALA CA C 56.875 0.091 1 153 12 30 ALA CB C 19.302 0.054 1 154 12 30 ALA N N 120.909 0.158 1 155 13 31 SER H H 8.178 0.02 1 156 13 31 SER HA H 4.151 0.005 1 157 13 31 SER HB2 H 4.011 0.035 1 158 13 31 SER HB3 H 4.083 0.003 1 159 13 31 SER C C 177.982 0.298 1 160 13 31 SER CA C 63.765 0.055 1 161 13 31 SER CB C 64.733 0.01 1 162 13 31 SER N N 115.954 0.027 1 163 14 32 VAL H H 8.134 0.011 1 164 14 32 VAL HA H 3.627 0.023 1 165 14 32 VAL HB H 2.135 0.005 1 166 14 32 VAL HG1 H 1.036 0.007 1 167 14 32 VAL HG2 H 0.883 0.003 1 168 14 32 VAL C C 179.493 0.298 1 169 14 32 VAL CA C 68.318 0.073 1 170 14 32 VAL CB C 33.665 0.028 1 171 14 32 VAL CG1 C 24.305 0.041 1 172 14 32 VAL CG2 C 22.725 0.041 1 173 14 32 VAL N N 123.007 0.108 1 174 15 33 ALA H H 8.302 0.008 1 175 15 33 ALA HA H 4.059 0.059 1 176 15 33 ALA HB H 1.475 0.014 1 177 15 33 ALA C C 182.100 0.298 1 178 15 33 ALA CA C 57.170 0.065 1 179 15 33 ALA CB C 19.488 0.054 1 180 15 33 ALA N N 123.545 0.182 1 181 16 34 GLY H H 8.616 0.02 1 182 16 34 GLY HA2 H 3.834 0.017 1 183 16 34 GLY HA3 H 3.829 0.025 1 184 16 34 GLY C C 176.822 0.298 1 185 16 34 GLY CA C 48.448 0.006 1 186 16 34 GLY N N 107.470 0.064 1 187 17 35 ALA H H 8.328 0.012 1 188 17 35 ALA HA H 4.083 0.015 1 189 17 35 ALA HB H 1.493 0.004 1 190 17 35 ALA C C 180.963 0.298 1 191 17 35 ALA CA C 56.982 0.07 1 192 17 35 ALA CB C 19.276 0.054 1 193 17 35 ALA N N 124.955 0.076 1 194 18 36 HIS H H 8.402 0.02 1 195 18 36 HIS HA H 4.273 0.028 1 196 18 36 HIS HB2 H 3.371 0.021 1 197 18 36 HIS HB3 H 3.363 0.021 1 198 18 36 HIS HD2 H 7.351 0.021 1 199 18 36 HIS HE1 H 8.599 0.021 1 200 18 36 HIS C C 178.820 0.298 1 201 18 36 HIS CA C 60.670 0.048 1 202 18 36 HIS CB C 29.626 0.001 1 203 18 36 HIS CD2 C 121.202 0.041 1 204 18 36 HIS CE1 C 138.016 0.041 1 205 18 36 HIS N N 116.071 0.083 1 206 19 37 GLY H H 8.577 0.03 1 207 19 37 GLY HA2 H 3.820 0.025 1 208 19 37 GLY HA3 H 3.941 0.016 1 209 19 37 GLY C C 176.607 0.298 1 210 19 37 GLY CA C 48.808 0.073 1 211 19 37 GLY N N 110.287 0.197 1 212 20 38 ILE H H 8.229 0.013 1 213 20 38 ILE HA H 3.823 0.017 1 214 20 38 ILE HB H 1.951 0.021 1 215 20 38 ILE HG12 H 1.739 0.001 1 216 20 38 ILE HG13 H 1.134 0.009 1 217 20 38 ILE HG2 H 0.920 0.021 1 218 20 38 ILE HD1 H 0.800 0.021 1 219 20 38 ILE C C 179.097 0.298 1 220 20 38 ILE CA C 66.544 0.032 1 221 20 38 ILE CB C 39.472 0.054 1 222 20 38 ILE CG1 C 30.905 0.058 1 223 20 38 ILE CG2 C 18.627 0.041 1 224 20 38 ILE CD1 C 14.173 0.041 1 225 20 38 ILE N N 123.027 0.079 1 226 21 39 LEU H H 8.081 0.017 1 227 21 39 LEU HA H 4.090 0.016 1 228 21 39 LEU HB2 H 1.773 0.021 1 229 21 39 LEU HB3 H 1.708 0.021 1 230 21 39 LEU HG H 1.747 0.021 1 231 21 39 LEU HD1 H 0.877 0.021 1 232 21 39 LEU HD2 H 0.829 0.021 1 233 21 39 LEU C C 180.014 0.298 1 234 21 39 LEU CA C 59.903 0.073 1 235 21 39 LEU CB C 43.340 0.023 1 236 21 39 LEU CG C 28.687 0.041 1 237 21 39 LEU CD1 C 25.496 0.041 1 238 21 39 LEU CD2 C 25.496 0.041 1 239 21 39 LEU N N 120.579 0.062 1 240 22 40 SER H H 8.157 0.012 1 241 22 40 SER HA H 3.798 0.024 1 242 22 40 SER HB2 H 3.818 0.013 1 243 22 40 SER HB3 H 3.973 0.002 1 244 22 40 SER CA C 64.547 0.074 1 245 22 40 SER CB C 65.031 0.061 1 246 22 40 SER N N 114.721 0.201 1 247 23 41 PHE H H 8.098 0.002 1 248 23 41 PHE HA H 4.239 0.029 1 249 23 41 PHE HB2 H 3.265 0.021 1 250 23 41 PHE HB3 H 3.225 0.021 1 251 23 41 PHE HD1 H 7.120 0.003 3 252 23 41 PHE HD2 H 7.120 0.003 3 253 23 41 PHE HE1 H 7.062 0.021 3 254 23 41 PHE HE2 H 7.062 0.021 3 255 23 41 PHE C C 178.437 0.298 1 256 23 41 PHE CA C 63.668 0.034 1 257 23 41 PHE CB C 40.569 0.018 1 258 23 41 PHE CD1 C 132.008 0.041 3 259 23 41 PHE CD2 C 132.008 0.041 3 260 23 41 PHE CE1 C 133.122 0.041 3 261 23 41 PHE CE2 C 133.122 0.041 3 262 23 41 PHE N N 122.433 0.008 1 263 24 42 LEU H H 8.335 0.013 1 264 24 42 LEU HA H 4.033 0.023 1 265 24 42 LEU HB2 H 1.814 0.021 1 266 24 42 LEU HG H 1.631 0.021 1 267 24 42 LEU HD1 H 1.041 0.021 1 268 24 42 LEU HD2 H 0.851 0.021 1 269 24 42 LEU C C 178.743 0.298 1 270 24 42 LEU CA C 60.100 0.022 1 271 24 42 LEU CB C 43.800 0.054 1 272 24 42 LEU N N 120.378 0.144 1 273 25 43 VAL H H 8.288 0.007 1 274 25 43 VAL HA H 4.276 0.012 1 275 25 43 VAL HB H 1.931 0.018 1 276 25 43 VAL C C 179.484 0.298 1 277 25 43 VAL CA C 62.625 0.053 1 278 25 43 VAL CB C 33.693 0.054 1 279 25 43 VAL N N 120.412 0.133 1 280 26 44 PHE H H 8.147 0.014 1 281 26 44 PHE HA H 3.960 0.013 1 282 26 44 PHE HB2 H 3.041 0.004 1 283 26 44 PHE HB3 H 3.034 0.003 1 284 26 44 PHE C C 179.663 0.298 1 285 26 44 PHE CA C 61.112 0.019 1 286 26 44 PHE CB C 39.396 0.019 1 287 26 44 PHE N N 121.041 0.111 1 288 27 45 PHE H H 8.480 0.021 1 289 27 45 PHE HA H 4.383 0.014 1 290 27 45 PHE HB2 H 3.073 0.011 1 291 27 45 PHE HB3 H 2.757 0.014 1 292 27 45 PHE HD1 H 7.114 0.007 3 293 27 45 PHE HD2 H 7.114 0.007 3 294 27 45 PHE HE1 H 7.023 0.004 3 295 27 45 PHE HE2 H 7.023 0.004 3 296 27 45 PHE C C 178.653 0.298 1 297 27 45 PHE CA C 57.781 0.056 1 298 27 45 PHE CB C 38.700 0.006 1 299 27 45 PHE CD1 C 133.141 0.041 3 300 27 45 PHE CD2 C 133.141 0.041 3 301 27 45 PHE CE1 C 133.020 0.041 3 302 27 45 PHE CE2 C 133.020 0.041 3 303 27 45 PHE N N 119.462 0.219 1 304 28 46 CYS H H 8.167 0.007 1 305 28 46 CYS HA H 3.987 0.002 1 306 28 46 CYS HB2 H 2.646 0.021 1 307 28 46 CYS HB3 H 2.524 0.021 1 308 28 46 CYS C C 179.199 0.298 1 309 28 46 CYS CA C 60.497 0.073 1 310 28 46 CYS CB C 33.924 0.02 1 311 28 46 CYS N N 121.547 0.041 1 312 29 47 ALA H H 8.103 0.008 1 313 29 47 ALA HA H 4.030 0.0 1 314 29 47 ALA HB H 1.475 0.021 1 315 29 47 ALA C C 180.011 0.298 1 316 29 47 ALA CA C 56.956 0.022 1 317 29 47 ALA CB C 19.367 0.054 1 318 29 47 ALA N N 122.597 0.105 1 319 30 48 ALA H H 7.969 0.014 1 320 30 48 ALA HA H 3.931 0.018 1 321 30 48 ALA HB H 1.414 0.017 1 322 30 48 ALA C C 180.835 0.298 1 323 30 48 ALA CA C 56.960 0.049 1 324 30 48 ALA CB C 19.132 0.054 1 325 30 48 ALA N N 119.533 0.035 1 326 31 49 TRP H H 8.084 0.003 1 327 31 49 TRP HA H 3.965 0.008 1 328 31 49 TRP HB2 H 3.171 0.003 1 329 31 49 TRP HB3 H 2.869 0.011 1 330 31 49 TRP HD1 H 6.618 0.014 1 331 31 49 TRP HE1 H 9.764 0.011 1 332 31 49 TRP HE3 H 7.311 0.008 1 333 31 49 TRP HZ2 H 7.194 0.013 1 334 31 49 TRP HZ3 H 6.872 0.016 1 335 31 49 TRP HH2 H 6.957 0.008 1 336 31 49 TRP C C 179.573 0.298 1 337 31 49 TRP CA C 62.501 0.073 1 338 31 49 TRP CB C 30.593 0.039 1 339 31 49 TRP CD1 C 127.444 0.041 1 340 31 49 TRP CZ2 C 115.189 0.041 1 341 31 49 TRP CZ3 C 122.606 0.041 1 342 31 49 TRP CH2 C 125.249 0.021 1 343 31 49 TRP N N 119.633 0.135 1 344 31 49 TRP NE1 N 128.381 0.089 1 345 32 50 TYR H H 8.212 0.01 1 346 32 50 TYR HA H 3.956 0.001 1 347 32 50 TYR HB2 H 3.107 0.004 1 348 32 50 TYR HB3 H 3.079 0.021 1 349 32 50 TYR HD1 H 6.930 0.013 3 350 32 50 TYR HD2 H 6.930 0.013 3 351 32 50 TYR HE1 H 6.578 0.01 3 352 32 50 TYR HE2 H 6.578 0.01 3 353 32 50 TYR C C 179.396 0.298 1 354 32 50 TYR CA C 63.419 0.073 1 355 32 50 TYR CB C 39.865 0.02 1 356 32 50 TYR CD1 C 134.007 0.041 3 357 32 50 TYR CD2 C 134.007 0.041 3 358 32 50 TYR CE1 C 118.914 0.041 3 359 32 50 TYR CE2 C 118.914 0.041 3 360 32 50 TYR N N 120.576 0.083 1 361 33 51 ILE H H 8.234 0.006 1 362 33 51 ILE HA H 3.464 0.029 1 363 33 51 ILE HB H 1.863 0.021 1 364 33 51 ILE HG2 H 0.809 0.021 1 365 33 51 ILE C C 179.052 0.298 1 366 33 51 ILE CA C 66.667 0.073 1 367 33 51 ILE CB C 39.489 0.054 1 368 33 51 ILE CG2 C 18.737 0.041 1 369 33 51 ILE N N 119.761 0.167 1 370 34 52 LYS H H 8.076 0.004 1 371 34 52 LYS HA H 3.952 0.005 1 372 34 52 LYS C C 179.727 0.298 1 373 34 52 LYS CA C 61.093 0.073 1 374 34 52 LYS N N 119.460 0.027 1 375 35 53 GLY H H 8.008 0.009 1 376 35 53 GLY HA2 H 3.493 0.022 1 377 35 53 GLY HA3 H 3.651 0.021 1 378 35 53 GLY C C 175.912 0.298 1 379 35 53 GLY CA C 47.951 0.035 1 380 35 53 GLY N N 106.103 0.043 1 381 36 54 ARG H H 7.504 0.019 1 382 36 54 ARG HA H 4.025 0.015 1 383 36 54 ARG HB2 H 1.732 0.021 1 384 36 54 ARG HB3 H 1.679 0.012 1 385 36 54 ARG HG2 H 1.554 0.002 1 386 36 54 ARG HG3 H 1.441 0.013 1 387 36 54 ARG HD2 H 2.911 0.021 1 388 36 54 ARG HD3 H 2.868 0.011 1 389 36 54 ARG C C 178.381 0.298 1 390 36 54 ARG CA C 58.528 0.03 1 391 36 54 ARG CB C 30.870 0.04 1 392 36 54 ARG CG C 26.700 0.015 1 393 36 54 ARG CD C 43.580 0.018 1 394 36 54 ARG N N 118.264 0.042 1 395 37 55 LEU H H 7.596 0.012 1 396 37 55 LEU HA H 4.256 0.014 1 397 37 55 LEU HB2 H 1.541 0.021 1 398 37 55 LEU HB3 H 1.519 0.021 1 399 37 55 LEU HG H 1.826 0.021 1 400 37 55 LEU HD1 H 0.857 0.021 1 401 37 55 LEU HD2 H 0.799 0.024 1 402 37 55 LEU C C 178.286 0.298 1 403 37 55 LEU CA C 56.716 0.073 1 404 37 55 LEU CB C 44.204 0.009 1 405 37 55 LEU CG C 28.449 0.041 1 406 37 55 LEU CD1 C 26.477 0.041 1 407 37 55 LEU CD2 C 26.441 0.041 1 408 37 55 LEU N N 118.030 0.093 1 409 38 56 ALA H H 7.828 0.011 1 410 38 56 ALA HA H 4.416 0.029 1 411 38 56 ALA HB H 1.336 0.021 1 412 38 56 ALA CA C 54.440 0.073 1 413 38 56 ALA CB C 18.832 0.054 1 414 38 56 ALA N N 122.471 0.137 1 415 39 57 PRO HA H 4.291 0.002 1 416 39 57 PRO HB2 H 1.833 0.021 1 417 39 57 PRO HB3 H 1.808 0.021 1 418 39 57 PRO HG2 H 1.949 0.021 1 419 39 57 PRO HG3 H 1.928 0.021 1 420 39 57 PRO HD2 H 3.539 0.021 1 421 39 57 PRO HD3 H 3.527 0.021 1 422 39 57 PRO C C 179.489 0.298 1 423 39 57 PRO CA C 66.899 0.073 1 424 39 57 PRO CB C 32.855 0.054 1 425 39 57 PRO CG C 29.397 0.018 1 426 39 57 PRO CD C 51.636 0.018 1 427 40 58 GLY H H 8.226 0.007 1 428 40 58 GLY HA2 H 3.817 0.012 1 429 40 58 GLY HA3 H 3.799 0.025 1 430 40 58 GLY C C 176.415 0.298 1 431 40 58 GLY CA C 48.118 0.002 1 432 40 58 GLY N N 105.749 0.342 1 433 41 59 ALA H H 7.946 0.013 1 434 41 59 ALA HA H 4.012 0.006 1 435 41 59 ALA HB H 1.384 0.029 1 436 41 59 ALA C C 180.038 0.298 1 437 41 59 ALA CA C 55.532 0.073 1 438 41 59 ALA CB C 19.857 0.054 1 439 41 59 ALA N N 123.814 0.111 1 440 42 60 ALA H H 8.049 0.028 1 441 42 60 ALA HA H 4.082 0.001 1 442 42 60 ALA HB H 1.370 0.021 1 443 42 60 ALA C C 180.178 0.298 1 444 42 60 ALA CA C 56.082 0.073 1 445 42 60 ALA CB C 19.895 0.054 1 446 42 60 ALA N N 120.273 0.025 1 447 43 61 TYR H H 7.885 0.015 1 448 43 61 TYR HA H 4.279 0.012 1 449 43 61 TYR HB2 H 3.037 0.001 1 450 43 61 TYR HB3 H 2.991 0.01 1 451 43 61 TYR HD1 H 6.958 0.014 3 452 43 61 TYR HD2 H 6.958 0.014 3 453 43 61 TYR HE1 H 6.572 0.006 3 454 43 61 TYR HE2 H 6.572 0.006 3 455 43 61 TYR C C 178.829 0.298 1 456 43 61 TYR CA C 62.285 0.073 1 457 43 61 TYR CB C 39.858 0.012 1 458 43 61 TYR CD1 C 133.968 0.041 3 459 43 61 TYR CD2 C 133.968 0.041 3 460 43 61 TYR CE1 C 118.912 0.041 3 461 43 61 TYR CE2 C 118.912 0.041 3 462 43 61 TYR N N 117.392 0.203 1 463 44 62 ALA H H 7.853 0.01 1 464 44 62 ALA HA H 3.980 0.02 1 465 44 62 ALA HB H 1.269 0.014 1 466 44 62 ALA C C 179.646 0.298 1 467 44 62 ALA CA C 56.209 0.073 1 468 44 62 ALA CB C 19.663 0.054 1 469 44 62 ALA N N 121.586 0.043 1 470 45 63 PHE H H 7.883 0.003 1 471 45 63 PHE HA H 4.247 0.041 1 472 45 63 PHE HB2 H 2.829 0.008 1 473 45 63 PHE HB3 H 2.823 0.002 1 474 45 63 PHE HD1 H 6.807 0.01 3 475 45 63 PHE HD2 H 6.807 0.01 3 476 45 63 PHE HE1 H 6.967 0.01 3 477 45 63 PHE HE2 H 6.967 0.01 3 478 45 63 PHE HZ H 6.905 0.013 1 479 45 63 PHE C C 177.655 0.298 1 480 45 63 PHE CA C 61.784 0.073 1 481 45 63 PHE CB C 41.003 0.008 1 482 45 63 PHE CD1 C 132.977 0.041 3 483 45 63 PHE CD2 C 132.977 0.041 3 484 45 63 PHE CE1 C 131.976 0.041 3 485 45 63 PHE CE2 C 131.976 0.041 3 486 45 63 PHE CZ C 134.004 0.041 1 487 45 63 PHE N N 116.633 0.065 1 488 46 64 TYR H H 7.992 0.023 1 489 46 64 TYR HA H 4.332 0.011 1 490 46 64 TYR HB2 H 2.935 0.013 1 491 46 64 TYR HB3 H 2.896 0.021 1 492 46 64 TYR HD1 H 7.082 0.013 3 493 46 64 TYR HD2 H 7.082 0.013 3 494 46 64 TYR HE1 H 6.626 0.011 3 495 46 64 TYR HE2 H 6.626 0.011 3 496 46 64 TYR C C 177.901 0.298 1 497 46 64 TYR CA C 61.385 0.073 1 498 46 64 TYR CB C 40.193 0.054 1 499 46 64 TYR CD1 C 134.264 0.041 3 500 46 64 TYR CD2 C 134.264 0.041 3 501 46 64 TYR CE1 C 119.025 0.041 3 502 46 64 TYR CE2 C 119.025 0.041 3 503 46 64 TYR N N 116.786 0.129 1 504 47 65 GLY H H 7.937 0.018 1 505 47 65 GLY HA2 H 3.814 0.037 1 506 47 65 GLY HA3 H 3.684 0.029 1 507 47 65 GLY C C 175.412 0.298 1 508 47 65 GLY CA C 47.376 0.029 1 509 47 65 GLY N N 106.599 0.108 1 510 48 66 VAL H H 7.706 0.03 1 511 48 66 VAL HA H 4.049 0.029 1 512 48 66 VAL HB H 2.074 0.012 1 513 48 66 VAL HG1 H 0.848 0.016 1 514 48 66 VAL HG2 H 0.837 0.027 1 515 48 66 VAL C C 177.991 0.298 1 516 48 66 VAL CA C 64.969 0.073 1 517 48 66 VAL CB C 34.092 0.054 1 518 48 66 VAL CG1 C 22.346 0.041 1 519 48 66 VAL CG2 C 22.321 0.041 1 520 48 66 VAL N N 117.221 0.107 1 521 49 67 TRP H H 8.019 0.024 1 522 49 67 TRP HA H 4.511 0.021 1 523 49 67 TRP HB2 H 3.217 0.007 1 524 49 67 TRP HB3 H 3.213 0.003 1 525 49 67 TRP HD1 H 7.058 0.017 1 526 49 67 TRP HE1 H 10.143 0.002 1 527 49 67 TRP HE3 H 7.358 0.006 1 528 49 67 TRP HZ2 H 7.215 0.011 1 529 49 67 TRP HZ3 H 6.841 0.01 1 530 49 67 TRP HH2 H 6.968 0.013 1 531 49 67 TRP CA C 62.867 0.073 1 532 49 67 TRP CB C 29.058 0.02 1 533 49 67 TRP CD1 C 127.438 0.041 1 534 49 67 TRP CZ2 C 115.236 0.041 1 535 49 67 TRP CZ3 C 122.671 0.041 1 536 49 67 TRP CH2 C 125.301 0.021 1 537 49 67 TRP N N 122.735 0.064 1 538 49 67 TRP NE1 N 128.744 0.094 1 539 50 68 PRO HA H 3.990 0.029 1 540 50 68 PRO HB2 H 1.647 0.021 1 541 50 68 PRO HB3 H 1.629 0.021 1 542 50 68 PRO C C 179.415 0.298 1 543 50 68 PRO CA C 67.827 0.073 1 544 50 68 PRO CB C 32.712 0.005 1 545 51 69 LEU H H 7.064 0.006 1 546 51 69 LEU HA H 4.006 0.034 1 547 51 69 LEU HB2 H 1.685 0.021 1 548 51 69 LEU HB3 H 1.661 0.021 1 549 51 69 LEU HG H 1.642 0.021 1 550 51 69 LEU HD1 H 0.848 0.021 1 551 51 69 LEU HD2 H 0.809 0.021 1 552 51 69 LEU C C 179.671 0.298 1 553 51 69 LEU CA C 59.172 0.073 1 554 51 69 LEU CB C 43.245 0.006 1 555 51 69 LEU CG C 28.640 0.041 1 556 51 69 LEU CD1 C 25.734 0.041 1 557 51 69 LEU CD2 C 25.685 0.041 1 558 51 69 LEU N N 116.129 0.08 1 559 52 70 LEU H H 7.831 0.013 1 560 52 70 LEU HA H 3.906 0.0 1 561 52 70 LEU HB2 H 1.590 0.021 1 562 52 70 LEU HB3 H 1.538 0.016 1 563 52 70 LEU CA C 59.689 0.073 1 564 52 70 LEU CB C 43.126 0.049 1 565 52 70 LEU N N 119.629 0.147 1 566 53 71 LEU H H 7.828 0.009 1 567 53 71 LEU HA H 4.015 0.029 1 568 53 71 LEU HB2 H 1.801 0.021 1 569 53 71 LEU HB3 H 1.652 0.021 1 570 53 71 LEU HG H 1.492 0.021 1 571 53 71 LEU CA C 59.491 0.013 1 572 53 71 LEU CB C 43.147 0.115 1 573 53 71 LEU N N 117.945 0.134 1 574 54 72 LEU H H 7.513 0.001 1 575 54 72 LEU HA H 3.961 0.003 1 576 54 72 LEU HB2 H 1.711 0.021 1 577 54 72 LEU HB3 H 1.677 0.021 1 578 54 72 LEU CA C 59.528 0.043 1 579 54 72 LEU CB C 43.432 0.066 1 580 54 72 LEU N N 119.409 0.009 1 581 55 73 LEU H H 7.822 0.002 1 582 55 73 LEU HA H 4.000 0.029 1 583 55 73 LEU HB2 H 1.857 0.021 1 584 55 73 LEU HB3 H 1.841 0.021 1 585 55 73 LEU C C 180.043 0.298 1 586 55 73 LEU CA C 59.214 0.125 1 587 55 73 LEU CB C 43.476 0.024 1 588 55 73 LEU N N 118.344 0.058 1 589 56 74 LEU H H 7.748 0.012 1 590 56 74 LEU HA H 4.064 0.029 1 591 56 74 LEU HB2 H 1.831 0.021 1 592 56 74 LEU HB3 H 1.442 0.021 1 593 56 74 LEU HG H 1.815 0.021 1 594 56 74 LEU HD1 H 0.803 0.021 1 595 56 74 LEU HD2 H 0.785 0.021 1 596 56 74 LEU C C 178.754 0.298 1 597 56 74 LEU CA C 58.039 0.073 1 598 56 74 LEU CB C 43.754 0.018 1 599 56 74 LEU CG C 28.406 0.041 1 600 56 74 LEU CD1 C 26.531 0.041 1 601 56 74 LEU CD2 C 24.212 0.041 1 602 56 74 LEU N N 117.210 0.096 1 603 57 75 ALA H H 7.630 0.012 1 604 57 75 ALA HA H 4.197 0.013 1 605 57 75 ALA HB H 1.388 0.021 1 606 57 75 ALA C C 178.868 0.298 1 607 57 75 ALA CA C 54.353 0.032 1 608 57 75 ALA CB C 20.595 0.054 1 609 57 75 ALA N N 119.870 0.088 1 610 58 76 LEU H H 7.637 0.005 1 611 58 76 LEU HB2 H 1.753 0.006 1 612 58 76 LEU HB3 H 1.461 0.021 1 613 58 76 LEU CA C 57.295 0.073 1 614 58 76 LEU CB C 43.286 0.019 1 615 58 76 LEU N N 119.139 0.105 1 616 60 78 PRO HA H 4.269 0.019 1 617 60 78 PRO C C 179.039 0.298 1 618 60 78 PRO CA C 66.774 0.073 1 619 61 79 ARG H H 7.704 0.019 1 620 61 79 ARG HA H 4.063 0.045 1 621 61 79 ARG HB2 H 2.033 0.021 1 622 61 79 ARG HB3 H 1.933 0.021 1 623 61 79 ARG C C 178.213 0.298 1 624 61 79 ARG CA C 59.324 0.066 1 625 61 79 ARG CB C 31.063 0.03 1 626 61 79 ARG N N 117.896 0.088 1 627 62 80 ALA H H 8.161 0.007 1 628 62 80 ALA HA H 4.074 0.03 1 629 62 80 ALA HB H 1.280 0.015 1 630 62 80 ALA C C 179.703 0.298 1 631 62 80 ALA CA C 55.571 0.073 1 632 62 80 ALA CB C 20.255 0.054 1 633 62 80 ALA N N 122.652 0.02 1 634 63 81 TYR H H 7.958 0.019 1 635 63 81 TYR HA H 4.144 0.029 1 636 63 81 TYR HB2 H 2.982 0.021 1 637 63 81 TYR HB3 H 2.882 0.021 1 638 63 81 TYR HD1 H 6.897 0.001 3 639 63 81 TYR HD2 H 6.897 0.001 3 640 63 81 TYR HE1 H 6.569 0.004 3 641 63 81 TYR HE2 H 6.569 0.004 3 642 63 81 TYR C C 177.824 0.298 1 643 63 81 TYR CA C 61.526 0.04 1 644 63 81 TYR CB C 39.898 0.005 1 645 63 81 TYR CD1 C 133.998 0.041 3 646 63 81 TYR CD2 C 133.998 0.041 3 647 63 81 TYR CE1 C 118.841 0.041 3 648 63 81 TYR CE2 C 118.841 0.041 3 649 63 81 TYR N N 117.821 0.08 1 650 64 82 ALA H H 7.914 0.01 1 651 64 82 ALA HA H 4.035 0.039 1 652 64 82 ALA HB H 1.323 0.009 1 653 64 82 ALA C C 179.637 0.298 1 654 64 82 ALA CA C 55.437 0.049 1 655 64 82 ALA CB C 19.979 0.054 1 656 64 82 ALA N N 121.804 0.163 1 657 65 83 ALA H H 7.877 0.015 1 658 65 83 ALA HA H 4.074 0.024 1 659 65 83 ALA HB H 1.328 0.021 1 660 65 83 ALA C C 179.256 0.298 1 661 65 83 ALA CA C 55.167 0.008 1 662 65 83 ALA CB C 20.147 0.054 1 663 65 83 ALA N N 120.321 0.152 1 664 66 84 ALA H H 7.782 0.002 1 665 66 84 ALA HA H 4.127 0.029 1 666 66 84 ALA HB H 1.315 0.021 1 667 66 84 ALA C C 178.081 0.298 1 668 66 84 ALA CA C 54.534 0.01 1 669 66 84 ALA CB C 20.295 0.054 1 670 66 84 ALA N N 120.300 0.016 1 671 67 85 ALA H H 7.708 0.004 1 672 67 85 ALA HA H 4.270 0.029 1 673 67 85 ALA HB H 1.231 0.021 1 674 67 85 ALA C C 177.735 0.298 1 675 67 85 ALA CA C 53.291 0.033 1 676 67 85 ALA CB C 20.425 0.054 1 677 67 85 ALA N N 119.792 0.028 1 678 68 86 SER H H 7.577 0.006 1 679 68 86 SER HA H 3.811 0.029 1 680 68 86 SER HB2 H 4.119 0.021 1 681 68 86 SER HB3 H 4.076 0.021 1 682 68 86 SER CA C 59.619 0.073 1 683 68 86 SER CB C 65.802 0.054 1 684 68 86 SER N N 114.021 0.026 1 stop_ save_ save_peak_list_1 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label '3D HNCA' _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 $methanol_CN _Sample_conditions_label $methanol_25c _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 18863 >> _Spectral_peak_list.ID 1 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $methanol_CN >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $methanol_25c >> _Spectral_peak_list.Experiment_ID 1 >> _Spectral_peak_list.Experiment_name '3D HNCA' >> _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 . 2402.344 . . . 18863 1 >> 2 C 13 13C . 3800.000 . . . 18863 1 >> 3 N 15 15N . 1650.029 . . . 18863 1 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 18863 1 >> 2 1.0 . 18863 1 >> 3 1.0 . 18863 1 >> 4 1.0 . 18863 1 >> 5 1.0 . 18863 1 >> 6 1.0 . 18863 1 >> 7 1.0 . 18863 1 >> 8 1.0 . 18863 1 >> 9 1.0 . 18863 1 >> 10 1.0 . 18863 1 >> 11 1.0 . 18863 1 >> 12 1.0 . 18863 1 >> 13 1.0 . 18863 1 >> 14 1.0 . 18863 1 >> 15 1.0 . 18863 1 >> 16 1.0 . 18863 1 >> 17 1.0 . 18863 1 >> 18 1.0 . 18863 1 >> 19 1.0 . 18863 1 >> 20 1.0 . 18863 1 >> 21 1.0 . 18863 1 >> 22 1.0 . 18863 1 >> 23 1.0 . 18863 1 >> 24 1.0 . 18863 1 >> 25 1.0 . 18863 1 >> 26 1.0 . 18863 1 >> 27 1.0 . 18863 1 >> 28 1.0 . 18863 1 >> 29 1.0 . 18863 1 >> 30 1.0 . 18863 1 >> 31 1.0 . 18863 1 >> 32 1.0 . 18863 1 >> 33 1.0 . 18863 1 >> 34 1.0 . 18863 1 >> 35 1.0 . 18863 1 >> 36 1.0 . 18863 1 >> 37 1.0 . 18863 1 >> 38 1.0 . 18863 1 >> 39 1.0 . 18863 1 >> 40 1.0 . 18863 1 >> 41 1.0 . 18863 1 >> 42 1.0 . 18863 1 >> 43 1.0 . 18863 1 >> 44 1.0 . 18863 1 >> 45 1.0 . 18863 1 >> 46 1.0 . 18863 1 >> 47 1.0 . 18863 1 >> 48 1.0 . 18863 1 >> 49 1.0 . 18863 1 >> 50 1.0 . 18863 1 >> 51 1.0 . 18863 1 >> 52 1.0 . 18863 1 >> 53 1.0 . 18863 1 >> 54 1.0 . 18863 1 >> 55 1.0 . 18863 1 >> 56 1.0 . 18863 1 >> 57 1.0 . 18863 1 >> 58 1.0 . 18863 1 >> 59 1.0 . 18863 1 >> 60 1.0 . 18863 1 >> 61 1.0 . 18863 1 >> 62 1.0 . 18863 1 >> 63 1.0 . 18863 1 >> 64 1.0 . 18863 1 >> 65 1.0 . 18863 1 >> 66 1.0 . 18863 1 >> 67 1.0 . 18863 1 >> 68 1.0 . 18863 1 >> 69 1.0 . 18863 1 >> 70 1.0 . 18863 1 >> 71 1.0 . 18863 1 >> 72 1.0 . 18863 1 >> 73 1.0 . 18863 1 >> 74 1.0 . 18863 1 >> 75 1.0 . 18863 1 >> 76 1.0 . 18863 1 >> 77 1.0 . 18863 1 >> 78 1.0 . 18863 1 >> 79 1.0 . 18863 1 >> 80 1.0 . 18863 1 >> 81 1.0 . 18863 1 >> 82 1.0 . 18863 1 >> 83 1.0 . 18863 1 >> 84 1.0 . 18863 1 >> 85 1.0 . 18863 1 >> 86 1.0 . 18863 1 >> 87 1.0 . 18863 1 >> 88 1.0 . 18863 1 >> 89 1.0 . 18863 1 >> 90 1.0 . 18863 1 >> 91 1.0 . 18863 1 >> 92 1.0 . 18863 1 >> 93 1.0 . 18863 1 >> 94 1.0 . 18863 1 >> 95 1.0 . 18863 1 >> 96 1.0 . 18863 1 >> 97 1.0 . 18863 1 >> 98 1.0 . 18863 1 >> 99 1.0 . 18863 1 >> 100 1.0 . 18863 1 >> 101 1.0 . 18863 1 >> 102 1.0 . 18863 1 >> 103 1.0 . 18863 1 >> 104 1.0 . 18863 1 >> 105 1.0 . 18863 1 >> 106 1.0 . 18863 1 >> 107 1.0 . 18863 1 >> 108 1.0 . 18863 1 >> 109 1.0 . 18863 1 >> 110 1.0 . 18863 1 >> 111 1.0 . 18863 1 >> 112 1.0 . 18863 1 >> 113 1.0 . 18863 1 >> 114 1.0 . 18863 1 >> 115 1.0 . 18863 1 >> 116 1.0 . 18863 1 >> 117 1.0 . 18863 1 >> 118 1.0 . 18863 1 >> 119 1.0 . 18863 1 >> 120 1.0 . 18863 1 >> 121 1.0 . 18863 1 >> 122 1.0 . 18863 1 >> 123 1.0 . 18863 1 >> 124 1.0 . 18863 1 >> 125 1.0 . 18863 1 >> 126 1.0 . 18863 1 >> 127 1.0 . 18863 1 >> 128 1.0 . 18863 1 >> 129 1.0 . 18863 1 >> 130 1.0 . 18863 1 >> 131 1.0 . 18863 1 >> 132 1.0 . 18863 1 >> 133 1.0 . 18863 1 >> 134 1.0 . 18863 1 >> 135 1.0 . 18863 1 >> 136 1.0 . 18863 1 >> 137 1.0 . 18863 1 >> 138 1.0 . 18863 1 >> 139 1.0 . 18863 1 >> 140 1.0 . 18863 1 >> 141 1.0 . 18863 1 >> 142 1.0 . 18863 1 >> 143 1.0 . 18863 1 >> 144 1.0 . 18863 1 >> 145 1.0 . 18863 1 >> 146 1.0 . 18863 1 >> 147 1.0 . 18863 1 >> 148 1.0 . 18863 1 >> 149 1.0 . 18863 1 >> 150 1.0 . 18863 1 >> 151 1.0 . 18863 1 >> 152 1.0 . 18863 1 >> 153 1.0 . 18863 1 >> 154 1.0 . 18863 1 >> 155 1.0 . 18863 1 >> 156 1.0 . 18863 1 >> 157 1.0 . 18863 1 >> 158 1.0 . 18863 1 >> 159 1.0 . 18863 1 >> 160 1.0 . 18863 1 >> 161 1.0 . 18863 1 >> 162 1.0 . 18863 1 >> 163 1.0 . 18863 1 >> 164 1.0 . 18863 1 >> 165 1.0 . 18863 1 >> 166 1.0 . 18863 1 >> 167 1.0 . 18863 1 >> 168 1.0 . 18863 1 >> 169 1.0 . 18863 1 >> 170 1.0 . 18863 1 >> 171 1.0 . 18863 1 >> 172 1.0 . 18863 1 >> 173 1.0 . 18863 1 >> 174 1.0 . 18863 1 >> 175 1.0 . 18863 1 >> 176 1.0 . 18863 1 >> 177 1.0 . 18863 1 >> 178 1.0 . 18863 1 >> 179 1.0 . 18863 1 >> 180 1.0 . 18863 1 >> 181 1.0 . 18863 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 9208724.00000 . height 18863 1 >> 1 136511494.50000 . volume 18863 1 >> 2 2341269.75000 . height 18863 1 >> 2 40568918.56250 . volume 18863 1 >> 3 24480342.00000 . height 18863 1 >> 3 340518166.50000 . volume 18863 1 >> 4 8180462.00000 . height 18863 1 >> 4 113814231.25000 . volume 18863 1 >> 5 10479339.00000 . height 18863 1 >> 5 153613826.00000 . volume 18863 1 >> 6 3703092.00000 . height 18863 1 >> 6 52702128.43750 . volume 18863 1 >> 7 11889455.00000 . height 18863 1 >> 7 165474487.75000 . volume 18863 1 >> 8 3292786.25000 . height 18863 1 >> 8 43160556.15620 . volume 18863 1 >> 9 8649625.00000 . height 18863 1 >> 9 127965719.25000 . volume 18863 1 >> 10 7682767.00000 . height 18863 1 >> 10 111140497.12500 . volume 18863 1 >> 11 2294366.00000 . height 18863 1 >> 11 29618002.37500 . volume 18863 1 >> 12 3530941.50000 . height 18863 1 >> 12 45898105.37500 . volume 18863 1 >> 13 3171960.25000 . height 18863 1 >> 13 45443427.06250 . volume 18863 1 >> 14 8075009.00000 . height 18863 1 >> 14 120036349.75000 . volume 18863 1 >> 15 7770526.50000 . height 18863 1 >> 15 111206436.75000 . volume 18863 1 >> 16 26616714.00000 . height 18863 1 >> 16 371146385.00000 . volume 18863 1 >> 17 3710945.25000 . height 18863 1 >> 17 49178400.31250 . volume 18863 1 >> 18 10493106.00000 . height 18863 1 >> 18 144209510.25000 . volume 18863 1 >> 19 12805354.00000 . height 18863 1 >> 19 183591370.75000 . volume 18863 1 >> 20 30300744.00000 . height 18863 1 >> 20 412910231.50000 . volume 18863 1 >> 21 2415289.50000 . height 18863 1 >> 21 42417989.81250 . volume 18863 1 >> 22 8060695.00000 . height 18863 1 >> 22 126067525.00000 . volume 18863 1 >> 23 3056534.00000 . height 18863 1 >> 23 53104938.33590 . volume 18863 1 >> 24 11190260.00000 . height 18863 1 >> 24 178243611.75000 . volume 18863 1 >> 25 14913092.00000 . height 18863 1 >> 25 215259062.25000 . volume 18863 1 >> 26 4522998.50000 . height 18863 1 >> 26 52388231.50000 . volume 18863 1 >> 27 4468008.50000 . height 18863 1 >> 27 64826376.06250 . volume 18863 1 >> 28 3216291.50000 . height 18863 1 >> 28 39411968.48440 . volume 18863 1 >> 29 13220109.00000 . height 18863 1 >> 29 178222141.12500 . volume 18863 1 >> 30 36649248.00000 . height 18863 1 >> 30 513625838.00000 . volume 18863 1 >> 31 7940668.00000 . height 18863 1 >> 31 111775637.00000 . volume 18863 1 >> 32 9063620.00000 . height 18863 1 >> 32 146401827.50000 . volume 18863 1 >> 33 2240954.25000 . height 18863 1 >> 33 32927442.00000 . volume 18863 1 >> 34 24721968.00000 . height 18863 1 >> 34 355130175.25000 . volume 18863 1 >> 35 2365176.50000 . height 18863 1 >> 35 37521422.31250 . volume 18863 1 >> 36 12595155.00000 . height 18863 1 >> 36 189149293.00000 . volume 18863 1 >> 37 3646695.50000 . height 18863 1 >> 37 58059482.31250 . volume 18863 1 >> 38 4321947.50000 . height 18863 1 >> 38 61599941.70310 . volume 18863 1 >> 39 9175096.00000 . height 18863 1 >> 39 139544381.25000 . volume 18863 1 >> 40 9224192.00000 . height 18863 1 >> 40 154219418.00000 . volume 18863 1 >> 41 3394490.50000 . height 18863 1 >> 41 54685035.50000 . volume 18863 1 >> 42 2784061.50000 . height 18863 1 >> 42 33927086.79690 . volume 18863 1 >> 43 2315364.75000 . height 18863 1 >> 43 35897678.81250 . volume 18863 1 >> 44 12149784.00000 . height 18863 1 >> 44 172412176.25000 . volume 18863 1 >> 45 9488793.00000 . height 18863 1 >> 45 145428155.75000 . volume 18863 1 >> 46 3081895.25000 . height 18863 1 >> 46 55374210.87500 . volume 18863 1 >> 47 4424935.00000 . height 18863 1 >> 47 66442534.50000 . volume 18863 1 >> 48 12939231.00000 . height 18863 1 >> 48 198830084.50000 . volume 18863 1 >> 49 11733124.00000 . height 18863 1 >> 49 162964939.00000 . volume 18863 1 >> 50 8026527.00000 . height 18863 1 >> 50 107930609.75000 . volume 18863 1 >> 51 6685852.00000 . height 18863 1 >> 51 102325555.50000 . volume 18863 1 >> 52 5653364.50000 . height 18863 1 >> 52 100499845.12500 . volume 18863 1 >> 53 6917757.50000 . height 18863 1 >> 53 107615545.12500 . volume 18863 1 >> 54 15071242.00000 . height 18863 1 >> 54 221312481.50000 . volume 18863 1 >> 55 2751632.25000 . height 18863 1 >> 55 39564543.96090 . volume 18863 1 >> 56 6630345.00000 . height 18863 1 >> 56 90801592.72070 . volume 18863 1 >> 57 6869191.50000 . height 18863 1 >> 57 107956392.87500 . volume 18863 1 >> 58 2827662.25000 . height 18863 1 >> 58 55358045.06250 . volume 18863 1 >> 59 9749319.00000 . height 18863 1 >> 59 143687886.00000 . volume 18863 1 >> 60 12258261.00000 . height 18863 1 >> 60 181627959.00000 . volume 18863 1 >> 61 2140225.25000 . height 18863 1 >> 61 35876742.28910 . volume 18863 1 >> 62 12368739.00000 . height 18863 1 >> 62 177539818.75000 . volume 18863 1 >> 63 1995137.12500 . height 18863 1 >> 63 33047229.47660 . volume 18863 1 >> 64 9508722.00000 . height 18863 1 >> 64 138572795.75000 . volume 18863 1 >> 65 2471246.50000 . height 18863 1 >> 65 28464679.09380 . volume 18863 1 >> 66 2958414.75000 . height 18863 1 >> 66 43858270.00000 . volume 18863 1 >> 67 11667095.00000 . height 18863 1 >> 67 180536550.25000 . volume 18863 1 >> 68 2879535.50000 . height 18863 1 >> 68 46697317.09380 . volume 18863 1 >> 69 9832436.00000 . height 18863 1 >> 69 134128969.00000 . volume 18863 1 >> 70 29894344.00000 . height 18863 1 >> 70 443484660.00000 . volume 18863 1 >> 71 47405508.00000 . height 18863 1 >> 71 663983342.00000 . volume 18863 1 >> 72 25349674.00000 . height 18863 1 >> 72 355613785.00000 . volume 18863 1 >> 73 46337424.00000 . height 18863 1 >> 73 644178480.00000 . volume 18863 1 >> 74 46937380.00000 . height 18863 1 >> 74 702379204.50000 . volume 18863 1 >> 75 2259801.00000 . height 18863 1 >> 75 37876751.71880 . volume 18863 1 >> 76 13850789.00000 . height 18863 1 >> 76 223580132.25000 . volume 18863 1 >> 77 6194814.00000 . height 18863 1 >> 77 87283112.32810 . volume 18863 1 >> 78 27935652.00000 . height 18863 1 >> 78 399370067.00000 . volume 18863 1 >> 79 2514891.50000 . height 18863 1 >> 79 32306509.66800 . volume 18863 1 >> 80 6964134.00000 . height 18863 1 >> 80 101201841.37500 . volume 18863 1 >> 81 3261140.25000 . height 18863 1 >> 81 45584607.25000 . volume 18863 1 >> 82 7861399.00000 . height 18863 1 >> 82 120073391.62500 . volume 18863 1 >> 83 3692053.75000 . height 18863 1 >> 83 49907137.75000 . volume 18863 1 >> 84 2098655.50000 . height 18863 1 >> 84 41322960.56250 . volume 18863 1 >> 85 32401266.00000 . height 18863 1 >> 85 491244333.50000 . volume 18863 1 >> 86 3191985.50000 . height 18863 1 >> 86 50102735.42190 . volume 18863 1 >> 87 8907733.00000 . height 18863 1 >> 87 136981877.37500 . volume 18863 1 >> 88 2369905.00000 . height 18863 1 >> 88 29046780.31250 . volume 18863 1 >> 89 4147692.50000 . height 18863 1 >> 89 71828871.12500 . volume 18863 1 >> 90 12122622.00000 . height 18863 1 >> 90 198583317.25000 . volume 18863 1 >> 91 32074184.00000 . height 18863 1 >> 91 496015712.50000 . volume 18863 1 >> 92 2858256.50000 . height 18863 1 >> 92 36458513.32080 . volume 18863 1 >> 93 8920689.00000 . height 18863 1 >> 93 117927221.00000 . volume 18863 1 >> 94 12741122.00000 . height 18863 1 >> 94 200010177.50000 . volume 18863 1 >> 95 3174253.25000 . height 18863 1 >> 95 49123015.46880 . volume 18863 1 >> 96 33049144.00000 . height 18863 1 >> 96 487960461.50000 . volume 18863 1 >> 97 13659088.00000 . height 18863 1 >> 97 214414363.75000 . volume 18863 1 >> 98 3437761.50000 . height 18863 1 >> 98 59836809.62500 . volume 18863 1 >> 99 11539921.00000 . height 18863 1 >> 99 164729223.75000 . volume 18863 1 >> 100 3392784.25000 . height 18863 1 >> 100 50255994.59380 . volume 18863 1 >> 101 7643659.00000 . height 18863 1 >> 101 125339744.00000 . volume 18863 1 >> 102 25038010.00000 . height 18863 1 >> 102 345848836.50000 . volume 18863 1 >> 103 12894150.00000 . height 18863 1 >> 103 206790435.25000 . volume 18863 1 >> 104 2037494.37500 . height 18863 1 >> 104 27026770.18750 . volume 18863 1 >> 105 3735253.75000 . height 18863 1 >> 105 71194047.00000 . volume 18863 1 >> 106 3910266.00000 . height 18863 1 >> 106 62379283.37500 . volume 18863 1 >> 107 9236931.00000 . height 18863 1 >> 107 149576213.50000 . volume 18863 1 >> 108 12767351.00000 . height 18863 1 >> 108 179653177.50000 . volume 18863 1 >> 109 2500994.25000 . height 18863 1 >> 109 39731613.60940 . volume 18863 1 >> 110 28379710.00000 . height 18863 1 >> 110 515386258.00000 . volume 18863 1 >> 111 12279929.00000 . height 18863 1 >> 111 169789355.37500 . volume 18863 1 >> 112 2164471.50000 . height 18863 1 >> 112 27994086.70310 . volume 18863 1 >> 113 4737899.50000 . height 18863 1 >> 113 63706930.93750 . volume 18863 1 >> 114 8258792.50000 . height 18863 1 >> 114 119705277.00000 . volume 18863 1 >> 115 2338138.50000 . height 18863 1 >> 115 36435237.68750 . volume 18863 1 >> 116 2136828.25000 . height 18863 1 >> 116 24792783.51560 . volume 18863 1 >> 117 38286072.00000 . height 18863 1 >> 117 643036943.00000 . volume 18863 1 >> 118 4576005.00000 . height 18863 1 >> 118 90394310.25000 . volume 18863 1 >> 119 4439070.50000 . height 18863 1 >> 119 69280258.68750 . volume 18863 1 >> 120 2625268.75000 . height 18863 1 >> 120 44571663.43750 . volume 18863 1 >> 121 12234776.00000 . height 18863 1 >> 121 170506325.75000 . volume 18863 1 >> 122 6989722.50000 . height 18863 1 >> 122 102012113.93800 . volume 18863 1 >> 123 27140156.00000 . height 18863 1 >> 123 379068043.75000 . volume 18863 1 >> 124 10831975.00000 . height 18863 1 >> 124 150522660.50000 . volume 18863 1 >> 125 6778268.00000 . height 18863 1 >> 125 129256631.00000 . volume 18863 1 >> 126 18140674.00000 . height 18863 1 >> 126 265807291.50000 . volume 18863 1 >> 127 3040147.00000 . height 18863 1 >> 127 27580382.94530 . volume 18863 1 >> 128 10523594.00000 . height 18863 1 >> 128 158919222.87500 . volume 18863 1 >> 129 23524138.00000 . height 18863 1 >> 129 330645845.00000 . volume 18863 1 >> 130 8965813.00000 . height 18863 1 >> 130 116389604.93800 . volume 18863 1 >> 131 22093550.00000 . height 18863 1 >> 131 341666181.50000 . volume 18863 1 >> 132 2801881.50000 . height 18863 1 >> 132 39163650.62500 . volume 18863 1 >> 133 10459057.00000 . height 18863 1 >> 133 161032727.62500 . volume 18863 1 >> 134 8392469.00000 . height 18863 1 >> 134 128497347.50000 . volume 18863 1 >> 135 24955650.00000 . height 18863 1 >> 135 361264799.00000 . volume 18863 1 >> 136 6300689.50000 . height 18863 1 >> 136 85758857.87500 . volume 18863 1 >> 137 17063964.00000 . height 18863 1 >> 137 240456660.25000 . volume 18863 1 >> 138 2006654.12500 . height 18863 1 >> 138 35114846.40620 . volume 18863 1 >> 139 3986769.25000 . height 18863 1 >> 139 62509018.12500 . volume 18863 1 >> 140 23645842.00000 . height 18863 1 >> 140 336478073.62500 . volume 18863 1 >> 141 33551020.00000 . height 18863 1 >> 141 480695182.00000 . volume 18863 1 >> 142 2054476.75000 . height 18863 1 >> 142 31139611.28520 . volume 18863 1 >> 143 8855565.00000 . height 18863 1 >> 143 124345980.37500 . volume 18863 1 >> 144 2026802.00000 . height 18863 1 >> 144 21051722.38280 . volume 18863 1 >> 145 2259977.25000 . height 18863 1 >> 145 37847474.37500 . volume 18863 1 >> 146 11675862.00000 . height 18863 1 >> 146 155777389.50000 . volume 18863 1 >> 147 9295643.00000 . height 18863 1 >> 147 133783343.00000 . volume 18863 1 >> 148 26911458.00000 . height 18863 1 >> 148 387294681.50000 . volume 18863 1 >> 149 3308407.00000 . height 18863 1 >> 149 47299974.06250 . volume 18863 1 >> 150 7760983.00000 . height 18863 1 >> 150 113699651.37500 . volume 18863 1 >> 151 3026920.25000 . height 18863 1 >> 151 45994009.31250 . volume 18863 1 >> 152 29269426.00000 . height 18863 1 >> 152 429482146.50000 . volume 18863 1 >> 153 11414639.00000 . height 18863 1 >> 153 179264501.25000 . volume 18863 1 >> 154 4937213.50000 . height 18863 1 >> 154 65074169.25000 . volume 18863 1 >> 155 3566475.00000 . height 18863 1 >> 155 48384668.00000 . volume 18863 1 >> 156 1952294.50000 . height 18863 1 >> 156 37409972.25000 . volume 18863 1 >> 157 44986420.00000 . height 18863 1 >> 157 645516829.00000 . volume 18863 1 >> 158 3324120.00000 . height 18863 1 >> 158 40080561.31250 . volume 18863 1 >> 159 3732392.75000 . height 18863 1 >> 159 57474582.75000 . volume 18863 1 >> 160 10629157.00000 . height 18863 1 >> 160 143952763.75000 . volume 18863 1 >> 161 1993959.50000 . height 18863 1 >> 161 28204793.36720 . volume 18863 1 >> 162 2731248.75000 . height 18863 1 >> 162 35931691.98240 . volume 18863 1 >> 163 14229952.00000 . height 18863 1 >> 163 207881608.12500 . volume 18863 1 >> 164 2481808.50000 . height 18863 1 >> 164 41000549.56250 . volume 18863 1 >> 165 7268622.50000 . height 18863 1 >> 165 118215102.68800 . volume 18863 1 >> 166 3847548.00000 . height 18863 1 >> 166 57015883.50000 . volume 18863 1 >> 167 2381897.25000 . height 18863 1 >> 167 40984161.18550 . volume 18863 1 >> 168 7473568.00000 . height 18863 1 >> 168 121012266.62500 . volume 18863 1 >> 169 1956464.12500 . height 18863 1 >> 169 30760084.17550 . volume 18863 1 >> 170 13881253.00000 . height 18863 1 >> 170 201337041.62500 . volume 18863 1 >> 171 2324680.25000 . height 18863 1 >> 171 30274352.07810 . volume 18863 1 >> 172 38839164.00000 . height 18863 1 >> 172 576386262.00000 . volume 18863 1 >> 173 7742490.00000 . height 18863 1 >> 173 114240250.87500 . volume 18863 1 >> 174 26347942.00000 . height 18863 1 >> 174 373108740.50000 . volume 18863 1 >> 175 13991759.00000 . height 18863 1 >> 175 205720631.75000 . volume 18863 1 >> 176 8286898.50000 . height 18863 1 >> 176 113811133.75000 . volume 18863 1 >> 177 2886587.50000 . height 18863 1 >> 177 139808004.87500 . volume 18863 1 >> 178 140987.18750 . height 18863 1 >> 178 -1446400.28906 . volume 18863 1 >> 179 610308.75000 . height 18863 1 >> 179 6916089.64209 . volume 18863 1 >> 180 -306944.90625 . height 18863 1 >> 180 -6902155.61963 . volume 18863 1 >> 181 -645740.06250 . height 18863 1 >> 181 -11316728.30860 . volume 18863 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 8.338 . . . . . . . . . . . . 8 18863 1 >> 1 2 56.912 . . . . . . . . . . . . 8 18863 1 >> 1 3 125.006 . . . . . . . . . . . . 8 18863 1 >> 2 1 8.343 . . . . . . . . . . . . 8 18863 1 >> 2 2 48.559 . . . . . . . . . . . . 8 18863 1 >> 2 3 124.990 . . . . . . . . . . . . 8 18863 1 >> 3 1 7.933 . . . . . . . . . . . . 8 18863 1 >> 3 2 56.007 . . . . . . . . . . . . 8 18863 1 >> 3 3 123.895 . . . . . . . . . . . . 8 18863 1 >> 4 1 7.933 . . . . . . . . . . . . 8 18863 1 >> 4 2 47.994 . . . . . . . . . . . . 8 18863 1 >> 4 3 123.891 . . . . . . . . . . . . 8 18863 1 >> 5 1 8.306 . . . . . . . . . . . . 8 18863 1 >> 5 2 57.105 . . . . . . . . . . . . 8 18863 1 >> 5 3 123.688 . . . . . . . . . . . . 8 18863 1 >> 6 1 8.538 . . . . . . . . . . . . 8 18863 1 >> 6 2 58.457 . . . . . . . . . . . . 8 18863 1 >> 6 3 123.518 . . . . . . . . . . . . 8 18863 1 >> 7 1 8.540 . . . . . . . . . . . . 8 18863 1 >> 7 2 57.199 . . . . . . . . . . . . 8 18863 1 >> 7 3 123.502 . . . . . . . . . . . . 8 18863 1 >> 9 1 8.122 . . . . . . . . . . . . 8 18863 1 >> 9 2 68.285 . . . . . . . . . . . . 8 18863 1 >> 9 3 123.057 . . . . . . . . . . . . 8 18863 1 >> 10 1 8.240 . . . . . . . . . . . . 8 18863 1 >> 10 2 66.513 . . . . . . . . . . . . 8 18863 1 >> 10 3 123.081 . . . . . . . . . . . . 8 18863 1 >> 12 1 8.235 . . . . . . . . . . . . 8 18863 1 >> 12 2 48.835 . . . . . . . . . . . . 8 18863 1 >> 12 3 123.073 . . . . . . . . . . . . 8 18863 1 >> 13 1 8.315 . . . . . . . . . . . . 8 18863 1 >> 13 2 65.881 . . . . . . . . . . . . 8 18863 1 >> 13 3 122.865 . . . . . . . . . . . . 8 18863 1 >> 14 1 8.315 . . . . . . . . . . . . 8 18863 1 >> 14 2 57.103 . . . . . . . . . . . . 8 18863 1 >> 14 3 122.865 . . . . . . . . . . . . 8 18863 1 >> 15 1 7.999 . . . . . . . . . . . . 8 18863 1 >> 15 2 64.923 . . . . . . . . . . . . 8 18863 1 >> 15 3 122.691 . . . . . . . . . . . . 8 18863 1 >> 16 1 8.000 . . . . . . . . . . . . 8 18863 1 >> 16 2 62.788 . . . . . . . . . . . . 8 18863 1 >> 16 3 122.684 . . . . . . . . . . . . 8 18863 1 >> 17 1 8.107 . . . . . . . . . . . . 8 18863 1 >> 17 2 60.516 . . . . . . . . . . . . 8 18863 1 >> 17 3 122.614 . . . . . . . . . . . . 8 18863 1 >> 18 1 8.160 . . . . . . . . . . . . 8 18863 1 >> 18 2 59.369 . . . . . . . . . . . . 8 18863 1 >> 18 3 122.649 . . . . . . . . . . . . 8 18863 1 >> 19 1 8.105 . . . . . . . . . . . . 8 18863 1 >> 19 2 56.979 . . . . . . . . . . . . 8 18863 1 >> 19 3 122.640 . . . . . . . . . . . . 8 18863 1 >> 20 1 8.160 . . . . . . . . . . . . 8 18863 1 >> 20 2 55.539 . . . . . . . . . . . . 8 18863 1 >> 20 3 122.648 . . . . . . . . . . . . 8 18863 1 >> 22 1 8.095 . . . . . . . . . . . . 8 18863 1 >> 22 2 63.634 . . . . . . . . . . . . 8 18863 1 >> 22 3 122.387 . . . . . . . . . . . . 8 18863 1 >> 23 1 8.021 . . . . . . . . . . . . 8 18863 1 >> 23 2 62.086 . . . . . . . . . . . . 8 18863 1 >> 23 3 122.344 . . . . . . . . . . . . 8 18863 1 >> 24 1 8.020 . . . . . . . . . . . . 8 18863 1 >> 24 2 56.826 . . . . . . . . . . . . 8 18863 1 >> 24 3 122.383 . . . . . . . . . . . . 8 18863 1 >> 25 1 7.821 . . . . . . . . . . . . 8 18863 1 >> 25 2 54.340 . . . . . . . . . . . . 8 18863 1 >> 25 3 122.392 . . . . . . . . . . . . 8 18863 1 >> 27 1 7.819 . . . . . . . . . . . . 8 18863 1 >> 27 2 56.947 . . . . . . . . . . . . 8 18863 1 >> 27 3 122.317 . . . . . . . . . . . . 8 18863 1 >> 29 1 7.908 . . . . . . . . . . . . 8 18863 1 >> 29 2 61.476 . . . . . . . . . . . . 8 18863 1 >> 29 3 121.730 . . . . . . . . . . . . 8 18863 1 >> 30 1 7.908 . . . . . . . . . . . . 8 18863 1 >> 30 2 55.388 . . . . . . . . . . . . 8 18863 1 >> 30 3 121.730 . . . . . . . . . . . . 8 18863 1 >> 31 1 7.858 . . . . . . . . . . . . 8 18863 1 >> 31 2 62.102 . . . . . . . . . . . . 8 18863 1 >> 31 3 121.551 . . . . . . . . . . . . 8 18863 1 >> 32 1 8.161 . . . . . . . . . . . . 8 18863 1 >> 32 2 60.497 . . . . . . . . . . . . 8 18863 1 >> 32 3 121.535 . . . . . . . . . . . . 8 18863 1 >> 33 1 8.160 . . . . . . . . . . . . 8 18863 1 >> 33 2 57.855 . . . . . . . . . . . . 8 18863 1 >> 33 3 121.564 . . . . . . . . . . . . 8 18863 1 >> 34 1 7.857 . . . . . . . . . . . . 8 18863 1 >> 34 2 56.143 . . . . . . . . . . . . 8 18863 1 >> 34 3 121.554 . . . . . . . . . . . . 8 18863 1 >> 35 1 8.273 . . . . . . . . . . . . 8 18863 1 >> 35 2 63.781 . . . . . . . . . . . . 8 18863 1 >> 35 3 121.287 . . . . . . . . . . . . 8 18863 1 >> 36 1 8.541 . . . . . . . . . . . . 8 18863 1 >> 36 2 57.774 . . . . . . . . . . . . 8 18863 1 >> 36 3 121.433 . . . . . . . . . . . . 8 18863 1 >> 38 1 8.268 . . . . . . . . . . . . 8 18863 1 >> 38 2 56.624 . . . . . . . . . . . . 8 18863 1 >> 38 3 121.292 . . . . . . . . . . . . 8 18863 1 >> 39 1 8.130 . . . . . . . . . . . . 8 18863 1 >> 39 2 68.700 . . . . . . . . . . . . 8 18863 1 >> 39 3 121.069 . . . . . . . . . . . . 8 18863 1 >> 40 1 8.155 . . . . . . . . . . . . 8 18863 1 >> 40 2 61.131 . . . . . . . . . . . . 8 18863 1 >> 40 3 121.141 . . . . . . . . . . . . 8 18863 1 >> 41 1 8.307 . . . . . . . . . . . . 8 18863 1 >> 41 2 68.850 . . . . . . . . . . . . 8 18863 1 >> 41 3 120.931 . . . . . . . . . . . . 8 18863 1 >> 42 1 8.156 . . . . . . . . . . . . 8 18863 1 >> 42 2 62.601 . . . . . . . . . . . . 8 18863 1 >> 42 3 120.990 . . . . . . . . . . . . 8 18863 1 >> 44 1 7.955 . . . . . . . . . . . . 8 18863 1 >> 44 2 59.874 . . . . . . . . . . . . 8 18863 1 >> 44 3 121.000 . . . . . . . . . . . . 8 18863 1 >> 45 1 8.304 . . . . . . . . . . . . 8 18863 1 >> 45 2 59.809 . . . . . . . . . . . . 8 18863 1 >> 45 3 120.941 . . . . . . . . . . . . 8 18863 1 >> 46 1 8.129 . . . . . . . . . . . . 8 18863 1 >> 46 2 59.794 . . . . . . . . . . . . 8 18863 1 >> 46 3 121.010 . . . . . . . . . . . . 8 18863 1 >> 47 1 7.956 . . . . . . . . . . . . 8 18863 1 >> 47 2 57.750 . . . . . . . . . . . . 8 18863 1 >> 47 3 121.058 . . . . . . . . . . . . 8 18863 1 >> 48 1 8.581 . . . . . . . . . . . . 8 18863 1 >> 48 2 56.784 . . . . . . . . . . . . 8 18863 1 >> 48 3 120.928 . . . . . . . . . . . . 8 18863 1 >> 49 1 8.796 . . . . . . . . . . . . 8 18863 1 >> 49 2 63.418 . . . . . . . . . . . . 8 18863 1 >> 49 3 120.758 . . . . . . . . . . . . 8 18863 1 >> 50 1 8.054 . . . . . . . . . . . . 8 18863 1 >> 50 2 63.262 . . . . . . . . . . . . 8 18863 1 >> 50 3 120.689 . . . . . . . . . . . . 8 18863 1 >> 53 1 8.284 . . . . . . . . . . . . 8 18863 1 >> 53 2 68.978 . . . . . . . . . . . . 8 18863 1 >> 53 3 120.478 . . . . . . . . . . . . 8 18863 1 >> 54 1 8.053 . . . . . . . . . . . . 8 18863 1 >> 54 2 68.807 . . . . . . . . . . . . 8 18863 1 >> 54 3 120.584 . . . . . . . . . . . . 8 18863 1 >> 55 1 8.342 . . . . . . . . . . . . 8 18863 1 >> 55 2 63.631 . . . . . . . . . . . . 8 18863 1 >> 55 3 120.460 . . . . . . . . . . . . 8 18863 1 >> 56 1 8.204 . . . . . . . . . . . . 8 18863 1 >> 56 2 63.207 . . . . . . . . . . . . 8 18863 1 >> 56 3 120.616 . . . . . . . . . . . . 8 18863 1 >> 57 1 8.342 . . . . . . . . . . . . 8 18863 1 >> 57 2 60.077 . . . . . . . . . . . . 8 18863 1 >> 57 3 120.474 . . . . . . . . . . . . 8 18863 1 >> 58 1 8.287 . . . . . . . . . . . . 8 18863 1 >> 58 2 60.005 . . . . . . . . . . . . 8 18863 1 >> 58 3 120.528 . . . . . . . . . . . . 8 18863 1 >> 59 1 8.080 . . . . . . . . . . . . 8 18863 1 >> 59 2 59.903 . . . . . . . . . . . . 8 18863 1 >> 59 3 120.536 . . . . . . . . . . . . 8 18863 1 >> 60 1 8.390 . . . . . . . . . . . . 8 18863 1 >> 60 2 57.867 . . . . . . . . . . . . 8 18863 1 >> 60 3 120.580 . . . . . . . . . . . . 8 18863 1 >> 61 1 8.222 . . . . . . . . . . . . 8 18863 1 >> 61 2 57.852 . . . . . . . . . . . . 8 18863 1 >> 61 3 120.487 . . . . . . . . . . . . 8 18863 1 >> 62 1 8.247 . . . . . . . . . . . . 8 18863 1 >> 62 2 56.944 . . . . . . . . . . . . 8 18863 1 >> 62 3 120.502 . . . . . . . . . . . . 8 18863 1 >> 64 1 8.284 . . . . . . . . . . . . 8 18863 1 >> 64 2 62.588 . . . . . . . . . . . . 8 18863 1 >> 64 3 120.331 . . . . . . . . . . . . 8 18863 1 >> 66 1 8.505 . . . . . . . . . . . . 8 18863 1 >> 66 2 59.815 . . . . . . . . . . . . 8 18863 1 >> 66 3 120.384 . . . . . . . . . . . . 8 18863 1 >> 67 1 8.504 . . . . . . . . . . . . 8 18863 1 >> 67 2 58.445 . . . . . . . . . . . . 8 18863 1 >> 67 3 120.395 . . . . . . . . . . . . 8 18863 1 >> 68 1 8.280 . . . . . . . . . . . . 8 18863 1 >> 68 2 57.801 . . . . . . . . . . . . 8 18863 1 >> 68 3 120.398 . . . . . . . . . . . . 8 18863 1 >> 69 1 8.193 . . . . . . . . . . . . 8 18863 1 >> 69 2 57.823 . . . . . . . . . . . . 8 18863 1 >> 69 3 120.308 . . . . . . . . . . . . 8 18863 1 >> 70 1 8.023 . . . . . . . . . . . . 8 18863 1 >> 70 2 56.356 . . . . . . . . . . . . 8 18863 1 >> 70 3 120.259 . . . . . . . . . . . . 8 18863 1 >> 71 1 7.779 . . . . . . . . . . . . 8 18863 1 >> 71 2 54.544 . . . . . . . . . . . . 8 18863 1 >> 71 3 120.291 . . . . . . . . . . . . 8 18863 1 >> 72 1 8.179 . . . . . . . . . . . . 8 18863 1 >> 72 2 64.773 . . . . . . . . . . . . 8 18863 1 >> 72 3 120.106 . . . . . . . . . . . . 8 18863 1 >> 73 1 8.179 . . . . . . . . . . . . 8 18863 1 >> 73 2 56.531 . . . . . . . . . . . . 8 18863 1 >> 73 3 120.107 . . . . . . . . . . . . 8 18863 1 >> 74 1 7.874 . . . . . . . . . . . . 8 18863 1 >> 74 2 55.159 . . . . . . . . . . . . 8 18863 1 >> 74 3 120.208 . . . . . . . . . . . . 8 18863 1 >> 75 1 7.654 . . . . . . . . . . . . 8 18863 1 >> 75 2 62.108 . . . . . . . . . . . . 8 18863 1 >> 75 3 119.844 . . . . . . . . . . . . 8 18863 1 >> 76 1 8.531 . . . . . . . . . . . . 8 18863 1 >> 76 2 57.875 . . . . . . . . . . . . 8 18863 1 >> 76 3 119.977 . . . . . . . . . . . . 8 18863 1 >> 77 1 7.635 . . . . . . . . . . . . 8 18863 1 >> 77 2 57.971 . . . . . . . . . . . . 8 18863 1 >> 77 3 119.834 . . . . . . . . . . . . 8 18863 1 >> 78 1 7.632 . . . . . . . . . . . . 8 18863 1 >> 78 2 54.322 . . . . . . . . . . . . 8 18863 1 >> 78 3 119.823 . . . . . . . . . . . . 8 18863 1 >> 80 1 8.230 . . . . . . . . . . . . 8 18863 1 >> 80 2 66.451 . . . . . . . . . . . . 8 18863 1 >> 80 3 119.676 . . . . . . . . . . . . 8 18863 1 >> 81 1 8.232 . . . . . . . . . . . . 8 18863 1 >> 81 2 63.269 . . . . . . . . . . . . 8 18863 1 >> 81 3 119.668 . . . . . . . . . . . . 8 18863 1 >> 82 1 8.084 . . . . . . . . . . . . 8 18863 1 >> 82 2 62.294 . . . . . . . . . . . . 8 18863 1 >> 82 3 119.734 . . . . . . . . . . . . 8 18863 1 >> 83 1 8.470 . . . . . . . . . . . . 8 18863 1 >> 83 2 61.146 . . . . . . . . . . . . 8 18863 1 >> 83 3 119.637 . . . . . . . . . . . . 8 18863 1 >> 85 1 7.818 . . . . . . . . . . . . 8 18863 1 >> 85 2 59.441 . . . . . . . . . . . . 8 18863 1 >> 85 3 119.711 . . . . . . . . . . . . 8 18863 1 >> 87 1 8.470 . . . . . . . . . . . . 8 18863 1 >> 87 2 57.837 . . . . . . . . . . . . 8 18863 1 >> 87 3 119.629 . . . . . . . . . . . . 8 18863 1 >> 89 1 8.081 . . . . . . . . . . . . 8 18863 1 >> 89 2 56.888 . . . . . . . . . . . . 8 18863 1 >> 89 3 119.577 . . . . . . . . . . . . 8 18863 1 >> 90 1 7.707 . . . . . . . . . . . . 8 18863 1 >> 90 2 54.473 . . . . . . . . . . . . 8 18863 1 >> 90 3 119.774 . . . . . . . . . . . . 8 18863 1 >> 91 1 7.706 . . . . . . . . . . . . 8 18863 1 >> 91 2 53.258 . . . . . . . . . . . . 8 18863 1 >> 91 3 119.771 . . . . . . . . . . . . 8 18863 1 >> 92 1 8.078 . . . . . . . . . . . . 8 18863 1 >> 92 2 66.504 . . . . . . . . . . . . 8 18863 1 >> 92 3 119.448 . . . . . . . . . . . . 8 18863 1 >> 93 1 8.077 . . . . . . . . . . . . 8 18863 1 >> 93 2 61.265 . . . . . . . . . . . . 8 18863 1 >> 93 3 119.456 . . . . . . . . . . . . 8 18863 1 >> 94 1 8.179 . . . . . . . . . . . . 8 18863 1 >> 94 2 60.887 . . . . . . . . . . . . 8 18863 1 >> 94 3 119.491 . . . . . . . . . . . . 8 18863 1 >> 95 1 8.182 . . . . . . . . . . . . 8 18863 1 >> 95 2 59.681 . . . . . . . . . . . . 8 18863 1 >> 95 3 119.516 . . . . . . . . . . . . 8 18863 1 >> 96 1 7.512 . . . . . . . . . . . . 8 18863 1 >> 96 2 59.570 . . . . . . . . . . . . 8 18863 1 >> 96 3 119.400 . . . . . . . . . . . . 8 18863 1 >> 97 1 7.960 . . . . . . . . . . . . 8 18863 1 >> 97 2 57.009 . . . . . . . . . . . . 8 18863 1 >> 97 3 119.507 . . . . . . . . . . . . 8 18863 1 >> 98 1 8.067 . . . . . . . . . . . . 8 18863 1 >> 98 2 56.802 . . . . . . . . . . . . 8 18863 1 >> 98 3 119.430 . . . . . . . . . . . . 8 18863 1 >> 99 1 7.613 . . . . . . . . . . . . 8 18863 1 >> 99 2 61.877 . . . . . . . . . . . . 8 18863 1 >> 99 3 119.264 . . . . . . . . . . . . 8 18863 1 >> 100 1 7.611 . . . . . . . . . . . . 8 18863 1 >> 100 2 60.780 . . . . . . . . . . . . 8 18863 1 >> 100 3 119.237 . . . . . . . . . . . . 8 18863 1 >> 102 1 7.640 . . . . . . . . . . . . 8 18863 1 >> 102 2 57.295 . . . . . . . . . . . . 8 18863 1 >> 102 3 119.064 . . . . . . . . . . . . 8 18863 1 >> 103 1 7.640 . . . . . . . . . . . . 8 18863 1 >> 103 2 54.326 . . . . . . . . . . . . 8 18863 1 >> 103 3 119.094 . . . . . . . . . . . . 8 18863 1 >> 106 1 8.389 . . . . . . . . . . . . 8 18863 1 >> 106 2 60.892 . . . . . . . . . . . . 8 18863 1 >> 106 3 118.541 . . . . . . . . . . . . 8 18863 1 >> 107 1 8.021 . . . . . . . . . . . . 8 18863 1 >> 107 2 59.693 . . . . . . . . . . . . 8 18863 1 >> 107 3 118.716 . . . . . . . . . . . . 8 18863 1 >> 108 1 8.389 . . . . . . . . . . . . 8 18863 1 >> 108 2 57.735 . . . . . . . . . . . . 8 18863 1 >> 108 3 118.574 . . . . . . . . . . . . 8 18863 1 >> 109 1 8.018 . . . . . . . . . . . . 8 18863 1 >> 109 2 56.972 . . . . . . . . . . . . 8 18863 1 >> 109 3 118.724 . . . . . . . . . . . . 8 18863 1 >> 110 1 7.820 . . . . . . . . . . . . 8 18863 1 >> 110 2 59.172 . . . . . . . . . . . . 8 18863 1 >> 110 3 118.320 . . . . . . . . . . . . 8 18863 1 >> 111 1 7.487 . . . . . . . . . . . . 8 18863 1 >> 111 2 58.485 . . . . . . . . . . . . 8 18863 1 >> 111 3 118.242 . . . . . . . . . . . . 8 18863 1 >> 113 1 7.486 . . . . . . . . . . . . 8 18863 1 >> 113 2 47.949 . . . . . . . . . . . . 8 18863 1 >> 113 3 118.215 . . . . . . . . . . . . 8 18863 1 >> 114 1 8.395 . . . . . . . . . . . . 8 18863 1 >> 114 2 65.866 . . . . . . . . . . . . 8 18863 1 >> 114 3 117.990 . . . . . . . . . . . . 8 18863 1 >> 115 1 8.394 . . . . . . . . . . . . 8 18863 1 >> 115 2 63.458 . . . . . . . . . . . . 8 18863 1 >> 115 3 118.019 . . . . . . . . . . . . 8 18863 1 >> 117 1 7.828 . . . . . . . . . . . . 8 18863 1 >> 117 2 59.477 . . . . . . . . . . . . 8 18863 1 >> 117 3 118.045 . . . . . . . . . . . . 8 18863 1 >> 119 1 7.583 . . . . . . . . . . . . 8 18863 1 >> 119 2 58.444 . . . . . . . . . . . . 8 18863 1 >> 119 3 117.949 . . . . . . . . . . . . 8 18863 1 >> 121 1 7.583 . . . . . . . . . . . . 8 18863 1 >> 121 2 56.943 . . . . . . . . . . . . 8 18863 1 >> 121 3 117.961 . . . . . . . . . . . . 8 18863 1 >> 122 1 7.695 . . . . . . . . . . . . 8 18863 1 >> 122 2 66.545 . . . . . . . . . . . . 8 18863 1 >> 122 3 117.824 . . . . . . . . . . . . 8 18863 1 >> 123 1 7.968 . . . . . . . . . . . . 8 18863 1 >> 123 2 61.486 . . . . . . . . . . . . 8 18863 1 >> 123 3 117.820 . . . . . . . . . . . . 8 18863 1 >> 124 1 7.777 . . . . . . . . . . . . 8 18863 1 >> 124 2 60.079 . . . . . . . . . . . . 8 18863 1 >> 124 3 117.750 . . . . . . . . . . . . 8 18863 1 >> 125 1 7.795 . . . . . . . . . . . . 8 18863 1 >> 125 2 59.385 . . . . . . . . . . . . 8 18863 1 >> 125 3 117.865 . . . . . . . . . . . . 8 18863 1 >> 126 1 7.696 . . . . . . . . . . . . 8 18863 1 >> 126 2 59.390 . . . . . . . . . . . . 8 18863 1 >> 126 3 117.819 . . . . . . . . . . . . 8 18863 1 >> 127 1 7.776 . . . . . . . . . . . . 8 18863 1 >> 127 2 57.049 . . . . . . . . . . . . 8 18863 1 >> 127 3 117.782 . . . . . . . . . . . . 8 18863 1 >> 128 1 7.967 . . . . . . . . . . . . 8 18863 1 >> 128 2 55.533 . . . . . . . . . . . . 8 18863 1 >> 128 3 117.836 . . . . . . . . . . . . 8 18863 1 >> 129 1 7.893 . . . . . . . . . . . . 8 18863 1 >> 129 2 62.105 . . . . . . . . . . . . 8 18863 1 >> 129 3 117.501 . . . . . . . . . . . . 8 18863 1 >> 130 1 7.894 . . . . . . . . . . . . 8 18863 1 >> 130 2 56.433 . . . . . . . . . . . . 8 18863 1 >> 130 3 117.504 . . . . . . . . . . . . 8 18863 1 >> 131 1 7.673 . . . . . . . . . . . . 8 18863 1 >> 131 2 64.925 . . . . . . . . . . . . 8 18863 1 >> 131 3 117.291 . . . . . . . . . . . . 8 18863 1 >> 133 1 7.675 . . . . . . . . . . . . 8 18863 1 >> 133 2 47.335 . . . . . . . . . . . . 8 18863 1 >> 133 3 117.273 . . . . . . . . . . . . 8 18863 1 >> 134 1 7.744 . . . . . . . . . . . . 8 18863 1 >> 134 2 59.109 . . . . . . . . . . . . 8 18863 1 >> 134 3 117.138 . . . . . . . . . . . . 8 18863 1 >> 135 1 7.744 . . . . . . . . . . . . 8 18863 1 >> 135 2 57.966 . . . . . . . . . . . . 8 18863 1 >> 135 3 117.151 . . . . . . . . . . . . 8 18863 1 >> 136 1 7.926 . . . . . . . . . . . . 8 18863 1 >> 136 2 66.725 . . . . . . . . . . . . 8 18863 1 >> 136 3 116.906 . . . . . . . . . . . . 8 18863 1 >> 137 1 7.928 . . . . . . . . . . . . 8 18863 1 >> 137 2 60.787 . . . . . . . . . . . . 8 18863 1 >> 137 3 116.930 . . . . . . . . . . . . 8 18863 1 >> 140 1 7.880 . . . . . . . . . . . . 8 18863 1 >> 140 2 61.752 . . . . . . . . . . . . 8 18863 1 >> 140 3 116.658 . . . . . . . . . . . . 8 18863 1 >> 141 1 7.980 . . . . . . . . . . . . 8 18863 1 >> 141 2 61.442 . . . . . . . . . . . . 8 18863 1 >> 141 3 116.722 . . . . . . . . . . . . 8 18863 1 >> 143 1 7.879 . . . . . . . . . . . . 8 18863 1 >> 143 2 56.134 . . . . . . . . . . . . 8 18863 1 >> 143 3 116.652 . . . . . . . . . . . . 8 18863 1 >> 146 1 7.061 . . . . . . . . . . . . 8 18863 1 >> 146 2 67.686 . . . . . . . . . . . . 8 18863 1 >> 146 3 116.066 . . . . . . . . . . . . 8 18863 1 >> 147 1 8.389 . . . . . . . . . . . . 8 18863 1 >> 147 2 60.622 . . . . . . . . . . . . 8 18863 1 >> 147 3 116.085 . . . . . . . . . . . . 8 18863 1 >> 148 1 7.061 . . . . . . . . . . . . 8 18863 1 >> 148 2 59.092 . . . . . . . . . . . . 8 18863 1 >> 148 3 116.078 . . . . . . . . . . . . 8 18863 1 >> 149 1 8.391 . . . . . . . . . . . . 8 18863 1 >> 149 2 56.890 . . . . . . . . . . . . 8 18863 1 >> 149 3 116.086 . . . . . . . . . . . . 8 18863 1 >> 150 1 8.159 . . . . . . . . . . . . 8 18863 1 >> 150 2 63.820 . . . . . . . . . . . . 8 18863 1 >> 150 3 115.917 . . . . . . . . . . . . 8 18863 1 >> 151 1 8.157 . . . . . . . . . . . . 8 18863 1 >> 151 2 56.749 . . . . . . . . . . . . 8 18863 1 >> 151 3 115.934 . . . . . . . . . . . . 8 18863 1 >> 152 1 8.117 . . . . . . . . . . . . 8 18863 1 >> 152 2 58.908 . . . . . . . . . . . . 8 18863 1 >> 152 3 115.291 . . . . . . . . . . . . 8 18863 1 >> 153 1 8.116 . . . . . . . . . . . . 8 18863 1 >> 153 2 46.185 . . . . . . . . . . . . 8 18863 1 >> 153 3 115.298 . . . . . . . . . . . . 8 18863 1 >> 154 1 8.154 . . . . . . . . . . . . 8 18863 1 >> 154 2 64.474 . . . . . . . . . . . . 8 18863 1 >> 154 3 114.824 . . . . . . . . . . . . 8 18863 1 >> 155 1 8.152 . . . . . . . . . . . . 8 18863 1 >> 155 2 59.877 . . . . . . . . . . . . 8 18863 1 >> 155 3 114.774 . . . . . . . . . . . . 8 18863 1 >> 156 1 8.131 . . . . . . . . . . . . 8 18863 1 >> 156 2 58.799 . . . . . . . . . . . . 8 18863 1 >> 156 3 114.650 . . . . . . . . . . . . 8 18863 1 >> 157 1 7.574 . . . . . . . . . . . . 8 18863 1 >> 157 2 59.372 . . . . . . . . . . . . 8 18863 1 >> 157 3 113.991 . . . . . . . . . . . . 8 18863 1 >> 160 1 7.573 . . . . . . . . . . . . 8 18863 1 >> 160 2 53.242 . . . . . . . . . . . . 8 18863 1 >> 160 3 113.987 . . . . . . . . . . . . 8 18863 1 >> 164 1 8.600 . . . . . . . . . . . . 8 18863 1 >> 164 2 60.614 . . . . . . . . . . . . 8 18863 1 >> 164 3 110.402 . . . . . . . . . . . . 8 18863 1 >> 165 1 8.603 . . . . . . . . . . . . 8 18863 1 >> 165 2 48.850 . . . . . . . . . . . . 8 18863 1 >> 165 3 110.407 . . . . . . . . . . . . 8 18863 1 >> 167 1 8.628 . . . . . . . . . . . . 8 18863 1 >> 167 2 57.086 . . . . . . . . . . . . 8 18863 1 >> 167 3 107.491 . . . . . . . . . . . . 8 18863 1 >> 168 1 8.635 . . . . . . . . . . . . 8 18863 1 >> 168 2 48.573 . . . . . . . . . . . . 8 18863 1 >> 168 3 107.514 . . . . . . . . . . . . 8 18863 1 >> 170 1 8.056 . . . . . . . . . . . . 8 18863 1 >> 170 2 56.520 . . . . . . . . . . . . 8 18863 1 >> 170 3 107.289 . . . . . . . . . . . . 8 18863 1 >> 172 1 8.055 . . . . . . . . . . . . 8 18863 1 >> 172 2 46.200 . . . . . . . . . . . . 8 18863 1 >> 172 3 107.308 . . . . . . . . . . . . 8 18863 1 >> 173 1 7.924 . . . . . . . . . . . . 8 18863 1 >> 173 2 61.336 . . . . . . . . . . . . 8 18863 1 >> 173 3 106.518 . . . . . . . . . . . . 8 18863 1 >> 174 1 7.926 . . . . . . . . . . . . 8 18863 1 >> 174 2 47.335 . . . . . . . . . . . . 8 18863 1 >> 174 3 106.527 . . . . . . . . . . . . 8 18863 1 >> 175 1 8.221 . . . . . . . . . . . . 8 18863 1 >> 175 2 48.038 . . . . . . . . . . . . 8 18863 1 >> 175 3 105.488 . . . . . . . . . . . . 8 18863 1 >> 176 1 8.025 . . . . . . . . . . . . 8 18863 1 >> 176 2 47.884 . . . . . . . . . . . . 8 18863 1 >> 176 3 106.108 . . . . . . . . . . . . 8 18863 1 >> 179 1 8.308 . . . . . . . . . . . . 8 18863 1 >> 179 2 178.133 . . . . . . . . . . . . 8 18863 1 >> 179 3 122.868 . . . . . . . . . . . . 8 18863 1 >> 180 1 8.019 . . . . . . . . . . . . 8 18863 1 >> 180 2 181.166 . . . . . . . . . . . . 8 18863 1 >> 180 3 118.732 . . . . . . . . . . . . 8 18863 1 >> 181 1 8.180 . . . . . . . . . . . . 8 18863 1 >> 181 2 180.035 . . . . . . . . . . . . 8 18863 1 >> 181 3 119.509 . . . . . . . . . . . . 8 18863 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 . . 8.338 . 1 1 1 35 ALA H . . . . . . 5 . 18863 1 >> 1 2 . 1 . . 56.912 . 1 1 1 35 ALA CA . . . . . . 176 . 18863 1 >> 1 3 . 1 . . 125.006 . 1 1 1 35 ALA N . . . . . . 6 . 18863 1 >> 2 1 . 1 . . 8.343 . 1 1 1 35 ALA H . . . . . . 5 . 18863 1 >> 2 3 . 1 . . 124.990 . 1 1 1 35 ALA N . . . . . . 6 . 18863 1 >> 3 1 . 1 . . 7.933 . 1 1 1 59 ALA H . . . . . . 7 . 18863 1 >> 3 2 . 1 . . 56.007 . 1 . . . . . . . . . . . 166 . 18863 1 >> 3 3 . 1 . . 123.895 . 1 1 1 59 ALA N . . . . . . 8 . 18863 1 >> 4 1 . 1 . . 7.933 . 1 1 1 59 ALA H . . . . . . 7 . 18863 1 >> 4 3 . 1 . . 123.891 . 1 1 1 59 ALA N . . . . . . 8 . 18863 1 >> 5 1 . 1 . . 8.306 . 1 1 1 33 ALA H . . . . . . 9 . 18863 1 >> 5 2 . 1 . . 57.105 . 1 1 1 33 ALA CA . . . . . . 195 . 18863 1 >> 5 3 . 1 . . 123.688 . 1 1 1 33 ALA N . . . . . . 10 . 18863 1 >> 6 1 . 1 . . 8.538 . 1 1 1 29 ALA H . . . . . . 11 . 18863 1 >> 6 3 . 1 . . 123.518 . 1 1 1 29 ALA N . . . . . . 12 . 18863 1 >> 7 1 . 1 . . 8.540 . 1 1 1 29 ALA H . . . . . . 11 . 18863 1 >> 7 2 . 1 . . 57.199 . 1 1 1 29 ALA CA . . . . . . 203 . 18863 1 >> 7 3 . 1 . . 123.502 . 1 1 1 29 ALA N . . . . . . 12 . 18863 1 >> 9 1 . 1 . . 8.122 . 1 1 1 32 VAL H . . . . . . 15 . 18863 1 >> 9 2 . 1 . . 68.285 . 1 . . . . . . . . . . . 196 . 18863 1 >> 9 3 . 1 . . 123.057 . 1 1 1 32 VAL N . . . . . . 16 . 18863 1 >> 10 1 . 1 . . 8.240 . 1 1 1 38 ILE H . . . . . . 13 . 18863 1 >> 10 2 . 1 . . 66.513 . 1 1 1 38 ILE CA . . . . . . 184 . 18863 1 >> 10 3 . 1 . . 123.081 . 1 1 1 38 ILE N . . . . . . 14 . 18863 1 >> 12 1 . 1 . . 8.235 . 1 1 1 38 ILE H . . . . . . 13 . 18863 1 >> 12 3 . 1 . . 123.073 . 1 1 1 38 ILE N . . . . . . 14 . 18863 1 >> 13 1 . 1 . . 8.315 . 1 1 1 20 ALA H . . . . . . 17 . 18863 1 >> 13 3 . 1 . . 122.865 . 1 1 1 20 ALA N . . . . . . 18 . 18863 1 >> 14 1 . 1 . . 8.315 . 1 1 1 20 ALA H . . . . . . 17 . 18863 1 >> 14 2 . 1 . . 57.103 . 1 1 1 20 ALA CA . . . . . . 225 . 18863 1 >> 14 3 . 1 . . 122.865 . 1 1 1 20 ALA N . . . . . . 18 . 18863 1 >> 15 1 . 1 . . 7.999 . 1 1 1 67 TRP H . . . . . . 19 . 18863 1 >> 15 3 . 1 . . 122.691 . 1 1 1 67 TRP N . . . . . . 20 . 18863 1 >> 16 1 . 1 . . 8.000 . 1 1 1 67 TRP H . . . . . . 19 . 18863 1 >> 16 2 . 1 . . 62.788 . 1 . . . . . . . . . . . 174 . 18863 1 >> 16 3 . 1 . . 122.684 . 1 1 1 67 TRP N . . . . . . 20 . 18863 1 >> 17 1 . 1 . . 8.107 . 1 1 1 47 ALA H . . . . . . 23 . 18863 1 >> 17 3 . 1 . . 122.614 . 1 1 1 47 ALA N . . . . . . 24 . 18863 1 >> 18 1 . 1 . . 8.160 . 1 1 1 80 ALA H . . . . . . 21 . 18863 1 >> 18 3 . 1 . . 122.649 . 1 1 1 80 ALA N . . . . . . 22 . 18863 1 >> 19 1 . 1 . . 8.105 . 1 1 1 47 ALA H . . . . . . 23 . 18863 1 >> 19 2 . 1 . . 56.979 . 1 1 1 47 ALA CA . . . . . . 219 . 18863 1 >> 19 3 . 1 . . 122.640 . 1 1 1 47 ALA N . . . . . . 24 . 18863 1 >> 20 1 . 1 . . 8.160 . 1 1 1 80 ALA H . . . . . . 21 . 18863 1 >> 20 2 . 1 . . 55.539 . 1 . . . . . . . . . . . 212 . 18863 1 >> 20 3 . 1 . . 122.648 . 1 1 1 80 ALA N . . . . . . 22 . 18863 1 >> 22 1 . 4 . . 8.095 . 1 1 1 41 PHE H . . . . . . 193 . 18863 1 >> 22 2 . 3 . . 63.634 . 1 1 1 41 PHE CA . . . . . . 188 . 18863 1 >> 23 1 . 1 . . 8.021 . 1 1 1 9 ALA H . . . . . . 25 . 18863 1 >> 23 3 . 1 . . 122.344 . 1 1 1 9 ALA N . . . . . . 26 . 18863 1 >> 24 1 . 1 . . 8.020 . 1 1 1 9 ALA H . . . . . . 25 . 18863 1 >> 24 2 . 1 . . 56.826 . 1 1 1 9 ALA CA . . . . . . 238 . 18863 1 >> 24 3 . 1 . . 122.383 . 1 1 1 9 ALA N . . . . . . 26 . 18863 1 >> 25 1 . 1 . . 7.821 . 1 1 1 56 ALA H . . . . . . 27 . 18863 1 >> 25 2 . 1 . . 54.340 . 1 . . . . . . . . . . . 191 . 18863 1 >> 25 3 . 1 . . 122.392 . 1 1 1 56 ALA N . . . . . . 28 . 18863 1 >> 27 1 . 1 . . 7.819 . 1 1 1 56 ALA H . . . . . . 27 . 18863 1 >> 27 3 . 1 . . 122.317 . 1 1 1 56 ALA N . . . . . . 28 . 18863 1 >> 29 1 . 1 . . 7.908 . 1 1 1 82 ALA H . . . . . . 29 . 18863 1 >> 29 3 . 1 . . 121.730 . 1 1 1 82 ALA N . . . . . . 30 . 18863 1 >> 30 1 . 1 . . 7.908 . 1 1 1 82 ALA H . . . . . . 29 . 18863 1 >> 30 2 . 1 . . 55.388 . 1 1 1 82 ALA CA . . . . . . 210 . 18863 1 >> 30 3 . 1 . . 121.730 . 1 1 1 82 ALA N . . . . . . 30 . 18863 1 >> 31 1 . 1 . . 7.858 . 1 1 1 62 ALA H . . . . . . 33 . 18863 1 >> 31 3 . 1 . . 121.551 . 1 1 1 62 ALA N . . . . . . 34 . 18863 1 >> 32 1 . 1 . . 8.161 . 1 1 1 46 CYS H . . . . . . 31 . 18863 1 >> 32 2 . 1 . . 60.497 . 1 1 1 46 CYS CA . . . . . . 214 . 18863 1 >> 32 3 . 1 . . 121.535 . 1 1 1 46 CYS N . . . . . . 32 . 18863 1 >> 33 1 . 1 . . 8.160 . 1 1 1 46 CYS H . . . . . . 31 . 18863 1 >> 33 3 . 1 . . 121.564 . 1 1 1 46 CYS N . . . . . . 32 . 18863 1 >> 34 1 . 1 . . 7.857 . 1 1 1 62 ALA H . . . . . . 33 . 18863 1 >> 34 2 . 1 . . 56.143 . 1 . . . . . . . . . . . 169 . 18863 1 >> 34 3 . 1 . . 121.554 . 1 1 1 62 ALA N . . . . . . 34 . 18863 1 >> 35 1 . 1 . . 8.273 . 1 1 1 3 LEU H . . . . . . 37 . 18863 1 >> 35 3 . 1 . . 121.287 . 1 1 1 3 LEU N . . . . . . 38 . 18863 1 >> 36 1 . 1 . . 8.541 . 1 . . . . . . . . . . . 35 . 18863 1 >> 36 3 . 1 . . 121.433 . 1 . . . . . . . . . . . 36 . 18863 1 >> 38 1 . 1 . . 8.268 . 1 1 1 3 LEU H . . . . . . 37 . 18863 1 >> 38 2 . 1 . . 56.624 . 1 1 1 3 LEU CA . . . . . . 235 . 18863 1 >> 38 3 . 1 . . 121.292 . 1 1 1 3 LEU N . . . . . . 38 . 18863 1 >> 39 1 . 2 . . 8.130 . 1 1 1 25 VAL H . . . . . . 41 . 18863 1 >> 39 2 . 1 . . 68.700 . 1 1 1 25 VAL CA . . . . . . 231 . 18863 1 >> 39 3 . 2 . . 121.069 . 1 1 1 25 VAL N . . . . . . 42 . 18863 1 >> 40 1 . 1 . . 8.155 . 1 1 1 44 PHE H . . . . . . 39 . 18863 1 >> 40 2 . 1 . . 61.131 . 1 1 1 44 PHE CA . . . . . . 216 . 18863 1 >> 40 3 . 1 . . 121.141 . 1 1 1 44 PHE N . . . . . . 40 . 18863 1 >> 41 1 . 1 . . 8.307 . 1 1 1 27 LEU H . . . . . . 45 . 18863 1 >> 41 3 . 1 . . 120.931 . 1 1 1 27 LEU N . . . . . . 46 . 18863 1 >> 42 1 . 1 . . 8.156 . 1 1 1 44 PHE H . . . . . . 39 . 18863 1 >> 42 3 . 1 . . 120.990 . 1 1 1 44 PHE N . . . . . . 40 . 18863 1 >> 44 1 . 1 . . 7.955 . 1 1 1 24 LEU H . . . . . . 43 . 18863 1 >> 44 2 . 1 . . 59.874 . 1 1 1 24 LEU CA . . . . . . 232 . 18863 1 >> 44 3 . 1 . . 121.000 . 1 1 1 24 LEU N . . . . . . 44 . 18863 1 >> 45 1 . 1 . . 8.304 . 1 1 1 27 LEU H . . . . . . 45 . 18863 1 >> 45 2 . 1 . . 59.809 . 1 1 1 27 LEU CA . . . . . . 205 . 18863 1 >> 45 3 . 1 . . 120.941 . 1 1 1 27 LEU N . . . . . . 46 . 18863 1 >> 47 1 . 1 . . 7.956 . 1 1 1 24 LEU H . . . . . . 43 . 18863 1 >> 47 3 . 1 . . 121.058 . 1 1 1 24 LEU N . . . . . . 44 . 18863 1 >> 48 1 . 1 . . 8.581 . 1 1 1 30 ALA H . . . . . . 47 . 18863 1 >> 48 2 . 1 . . 56.784 . 1 1 1 30 ALA CA . . . . . . 202 . 18863 1 >> 48 3 . 1 . . 120.928 . 1 1 1 30 ALA N . . . . . . 48 . 18863 1 >> 49 1 . 1 . . 8.796 . 1 1 1 18 ASP H . . . . . . 49 . 18863 1 >> 49 2 . 1 . . 63.418 . 1 1 1 18 ASP CA . . . . . . 227 . 18863 1 >> 49 3 . 1 . . 120.758 . 1 1 1 18 ASP N . . . . . . 50 . 18863 1 >> 50 1 . 2 . . 8.054 . 1 1 1 17 ASP H . . . . . . 228 . 18863 1 >> 50 2 . 1 . . 63.262 . 1 1 1 17 ASP CA . . . . . . 230 . 18863 1 >> 50 3 . 2 . . 120.689 . 1 1 1 17 ASP N . . . . . . 229 . 18863 1 >> 53 1 . 1 . . 8.284 . 1 1 1 43 VAL H . . . . . . 63 . 18863 1 >> 53 3 . 1 . . 120.478 . 1 1 1 43 VAL N . . . . . . 64 . 18863 1 >> 54 1 . 2 . . 8.053 . 1 1 1 17 ASP H . . . . . . 228 . 18863 1 >> 54 3 . 2 . . 120.584 . 1 1 1 17 ASP N . . . . . . 229 . 18863 1 >> 55 1 . 1 . . 8.342 . 1 1 1 42 LEU H . . . . . . 59 . 18863 1 >> 55 3 . 1 . . 120.460 . 1 1 1 42 LEU N . . . . . . 60 . 18863 1 >> 56 1 . 1 . . 8.204 . 1 1 1 50 TYR H . . . . . . 55 . 18863 1 >> 56 2 . 1 . . 63.207 . 1 . . . . . . . . . . . 198 . 18863 1 >> 56 3 . 1 . . 120.616 . 1 1 1 50 TYR N . . . . . . 56 . 18863 1 >> 57 1 . 1 . . 8.342 . 1 1 1 42 LEU H . . . . . . 59 . 18863 1 >> 57 2 . 1 . . 60.077 . 1 1 1 42 LEU CA . . . . . . 218 . 18863 1 >> 57 3 . 1 . . 120.474 . 1 1 1 42 LEU N . . . . . . 60 . 18863 1 >> 58 1 . 1 . . 8.287 . 1 1 1 43 VAL H . . . . . . 63 . 18863 1 >> 58 3 . 1 . . 120.528 . 1 1 1 43 VAL N . . . . . . 64 . 18863 1 >> 59 1 . 1 . . 8.080 . 1 1 1 39 LEU H . . . . . . 51 . 18863 1 >> 59 2 . 1 . . 59.903 . 1 1 1 39 LEU CA . . . . . . 185 . 18863 1 >> 59 3 . 1 . . 120.536 . 1 1 1 39 LEU N . . . . . . 52 . 18863 1 >> 60 1 . 1 . . 8.390 . 1 . . . . . . . . . . . 53 . 18863 1 >> 60 3 . 1 . . 120.580 . 1 . . . . . . . . . . . 54 . 18863 1 >> 61 1 . 1 . . 8.222 . 1 1 1 50 TYR H . . . . . . 55 . 18863 1 >> 61 3 . 1 . . 120.487 . 1 1 1 50 TYR N . . . . . . 56 . 18863 1 >> 62 1 . 1 . . 8.247 . 1 1 1 10 ALA H . . . . . . 57 . 18863 1 >> 62 2 . 1 . . 56.944 . 1 1 1 10 ALA CA . . . . . . 239 . 18863 1 >> 62 3 . 1 . . 120.502 . 1 1 1 10 ALA N . . . . . . 58 . 18863 1 >> 64 1 . 1 . . 8.284 . 1 1 1 43 VAL H . . . . . . 63 . 18863 1 >> 64 2 . 1 . . 62.588 . 1 1 1 43 VAL CA . . . . . . 217 . 18863 1 >> 64 3 . 1 . . 120.331 . 1 1 1 43 VAL N . . . . . . 64 . 18863 1 >> 66 1 . 1 . . 8.505 . 1 1 1 28 ASN H . . . . . . 61 . 18863 1 >> 66 3 . 1 . . 120.384 . 1 1 1 28 ASN N . . . . . . 62 . 18863 1 >> 67 1 . 1 . . 8.504 . 1 1 1 28 ASN H . . . . . . 61 . 18863 1 >> 67 2 . 1 . . 58.445 . 1 1 1 28 ASN CA . . . . . . 204 . 18863 1 >> 67 3 . 1 . . 120.395 . 1 1 1 28 ASN N . . . . . . 62 . 18863 1 >> 68 1 . 1 . . 8.280 . 1 1 1 43 VAL H . . . . . . 63 . 18863 1 >> 68 3 . 1 . . 120.398 . 1 1 1 43 VAL N . . . . . . 64 . 18863 1 >> 69 1 . 1 . . 8.193 . 1 1 1 12 ASP H . . . . . . 71 . 18863 1 >> 69 2 . 1 . . 57.823 . 1 1 1 12 ASP CA . . . . . . 241 . 18863 1 >> 69 3 . 1 . . 120.308 . 1 1 1 12 ASP N . . . . . . 72 . 18863 1 >> 70 1 . 1 . . 8.023 . 1 1 1 60 ALA H . . . . . . 65 . 18863 1 >> 70 2 . 1 . . 56.356 . 1 . . . . . . . . . . . 167 . 18863 1 >> 70 3 . 1 . . 120.259 . 1 1 1 60 ALA N . . . . . . 66 . 18863 1 >> 71 1 . 1 . . 7.779 . 1 1 1 84 ALA H . . . . . . 67 . 18863 1 >> 71 2 . 1 . . 54.544 . 1 1 1 84 ALA CA . . . . . . 208 . 18863 1 >> 71 3 . 1 . . 120.291 . 1 1 1 84 ALA N . . . . . . 68 . 18863 1 >> 72 1 . 1 . . 8.179 . 1 1 1 12 ASP H . . . . . . 71 . 18863 1 >> 72 3 . 1 . . 120.106 . 1 1 1 12 ASP N . . . . . . 72 . 18863 1 >> 73 1 . 1 . . 8.179 . 1 1 1 12 ASP H . . . . . . 71 . 18863 1 >> 73 3 . 1 . . 120.107 . 1 1 1 12 ASP N . . . . . . 72 . 18863 1 >> 74 1 . 1 . . 7.874 . 1 1 1 83 ALA H . . . . . . 69 . 18863 1 >> 74 2 . 1 . . 55.159 . 1 1 1 83 ALA CA . . . . . . 209 . 18863 1 >> 74 3 . 1 . . 120.208 . 1 1 1 83 ALA N . . . . . . 70 . 18863 1 >> 75 1 . 1 . . 7.654 . 1 1 1 75 ALA H . . . . . . 77 . 18863 1 >> 75 3 . 1 . . 119.844 . 1 1 1 75 ALA N . . . . . . 78 . 18863 1 >> 76 1 . 1 . . 8.531 . 1 . . . . . . . . . . . 73 . 18863 1 >> 76 3 . 1 . . 119.977 . 1 . . . . . . . . . . . 74 . 18863 1 >> 77 1 . 1 . . 7.635 . 1 1 1 75 ALA H . . . . . . 77 . 18863 1 >> 77 3 . 1 . . 119.834 . 1 1 1 75 ALA N . . . . . . 78 . 18863 1 >> 78 1 . 1 . . 7.632 . 1 1 1 75 ALA H . . . . . . 77 . 18863 1 >> 78 2 . 1 . . 54.322 . 1 1 1 75 ALA CA . . . . . . 221 . 18863 1 >> 78 3 . 1 . . 119.823 . 1 1 1 75 ALA N . . . . . . 78 . 18863 1 >> 80 1 . 1 . . 8.230 . 1 1 1 51 ILE H . . . . . . 83 . 18863 1 >> 80 2 . 1 . . 66.451 . 1 . . . . . . . . . . . 199 . 18863 1 >> 80 3 . 1 . . 119.676 . 1 1 1 51 ILE N . . . . . . 84 . 18863 1 >> 81 1 . 1 . . 8.232 . 1 1 1 51 ILE H . . . . . . 83 . 18863 1 >> 81 3 . 1 . . 119.668 . 1 1 1 51 ILE N . . . . . . 84 . 18863 1 >> 82 1 . 1 . . 8.084 . 1 1 1 49 TRP H . . . . . . 81 . 18863 1 >> 82 2 . 1 . . 62.294 . 1 . . . . . . . . . . . 197 . 18863 1 >> 82 3 . 1 . . 119.734 . 1 1 1 49 TRP N . . . . . . 82 . 18863 1 >> 83 1 . 1 . . 8.470 . 1 1 1 45 PHE H . . . . . . 85 . 18863 1 >> 83 3 . 1 . . 119.637 . 1 1 1 45 PHE N . . . . . . 86 . 18863 1 >> 85 1 . 1 . . 7.818 . 1 1 1 70 LEU H . . . . . . 79 . 18863 1 >> 85 2 . 1 . . 59.441 . 1 . . . . . . . . . . . 243 . 18863 1 >> 85 3 . 1 . . 119.711 . 1 1 1 70 LEU N . . . . . . 80 . 18863 1 >> 87 1 . 1 . . 8.470 . 1 1 1 45 PHE H . . . . . . 85 . 18863 1 >> 87 2 . 1 . . 57.837 . 1 1 1 45 PHE CA . . . . . . 215 . 18863 1 >> 87 3 . 1 . . 119.629 . 1 1 1 45 PHE N . . . . . . 86 . 18863 1 >> 89 1 . 1 . . 8.081 . 1 1 1 49 TRP H . . . . . . 81 . 18863 1 >> 89 3 . 1 . . 119.577 . 1 1 1 49 TRP N . . . . . . 82 . 18863 1 >> 90 1 . 1 . . 7.707 . 1 1 1 85 ALA H . . . . . . 75 . 18863 1 >> 90 3 . 1 . . 119.774 . 1 1 1 85 ALA N . . . . . . 76 . 18863 1 >> 91 1 . 1 . . 7.706 . 1 1 1 85 ALA H . . . . . . 75 . 18863 1 >> 91 2 . 1 . . 53.258 . 1 1 1 85 ALA CA . . . . . . 207 . 18863 1 >> 91 3 . 1 . . 119.771 . 1 1 1 85 ALA N . . . . . . 76 . 18863 1 >> 92 1 . 1 . . 8.078 . 1 1 1 52 LYS H . . . . . . 89 . 18863 1 >> 92 3 . 1 . . 119.448 . 1 1 1 52 LYS N . . . . . . 90 . 18863 1 >> 93 1 . 1 . . 8.077 . 1 1 1 52 LYS H . . . . . . 89 . 18863 1 >> 93 2 . 1 . . 61.265 . 1 . . . . . . . . . . . 200 . 18863 1 >> 93 3 . 1 . . 119.456 . 1 1 1 52 LYS N . . . . . . 90 . 18863 1 >> 94 1 . 1 . . 8.179 . 1 1 1 22 GLU H . . . . . . 87 . 18863 1 >> 94 2 . 1 . . 60.887 . 1 1 1 22 GLU CA . . . . . . 223 . 18863 1 >> 94 3 . 1 . . 119.491 . 1 1 1 22 GLU N . . . . . . 88 . 18863 1 >> 95 1 . 1 . . 8.182 . 1 1 1 22 GLU H . . . . . . 87 . 18863 1 >> 95 3 . 1 . . 119.516 . 1 1 1 22 GLU N . . . . . . 88 . 18863 1 >> 96 1 . 1 . . 7.512 . 1 1 1 72 LEU H . . . . . . 93 . 18863 1 >> 96 2 . 1 . . 59.570 . 1 1 1 72 LEU CA . . . . . . 588 . 18863 1 >> 96 3 . 1 . . 119.400 . 1 1 1 72 LEU N . . . . . . 94 . 18863 1 >> 97 1 . 1 . . 7.960 . 1 1 1 48 ALA H . . . . . . 91 . 18863 1 >> 97 2 . 1 . . 57.009 . 1 1 1 48 ALA CA . . . . . . 220 . 18863 1 >> 97 3 . 1 . . 119.507 . 1 1 1 48 ALA N . . . . . . 92 . 18863 1 >> 98 1 . 1 . . 8.067 . 1 1 1 52 LYS H . . . . . . 89 . 18863 1 >> 98 3 . 1 . . 119.430 . 1 1 1 52 LYS N . . . . . . 90 . 18863 1 >> 99 1 . 1 . . 7.613 . 1 1 1 8 PHE H . . . . . . 95 . 18863 1 >> 99 2 . 1 . . 61.877 . 1 1 1 8 PHE CA . . . . . . 237 . 18863 1 >> 99 3 . 1 . . 119.264 . 1 1 1 8 PHE N . . . . . . 96 . 18863 1 >> 100 1 . 1 . . 7.611 . 1 1 1 8 PHE H . . . . . . 95 . 18863 1 >> 100 3 . 1 . . 119.237 . 1 1 1 8 PHE N . . . . . . 96 . 18863 1 >> 102 1 . 2 . . 7.640 . 1 1 1 76 LEU H . . . . . . 97 . 18863 1 >> 102 2 . 2 . . 57.295 . 1 1 1 76 LEU CA . . . . . . 222 . 18863 1 >> 102 3 . 2 . . 119.064 . 1 1 1 76 LEU N . . . . . . 98 . 18863 1 >> 103 1 . 1 . . 7.640 . 1 1 1 8 PHE H . . . . . . 95 . 18863 1 >> 103 3 . 1 . . 119.094 . 1 1 1 8 PHE N . . . . . . 96 . 18863 1 >> 106 1 . 1 . . 8.389 . 1 1 1 23 ASN H . . . . . . 101 . 18863 1 >> 106 3 . 1 . . 118.541 . 1 1 1 23 ASN N . . . . . . 102 . 18863 1 >> 107 1 . 1 . . 8.021 . 1 1 1 21 LEU H . . . . . . 99 . 18863 1 >> 107 2 . 1 . . 59.693 . 1 1 1 21 LEU CA . . . . . . 224 . 18863 1 >> 107 3 . 1 . . 118.716 . 1 1 1 21 LEU N . . . . . . 100 . 18863 1 >> 108 1 . 1 . . 8.389 . 1 1 1 23 ASN H . . . . . . 101 . 18863 1 >> 108 2 . 1 . . 57.735 . 1 1 1 23 ASN CA . . . . . . 233 . 18863 1 >> 108 3 . 1 . . 118.574 . 1 1 1 23 ASN N . . . . . . 102 . 18863 1 >> 109 1 . 1 . . 8.018 . 1 1 1 21 LEU H . . . . . . 99 . 18863 1 >> 109 3 . 1 . . 118.724 . 1 1 1 21 LEU N . . . . . . 100 . 18863 1 >> 110 1 . 1 . . 7.820 . 1 1 1 73 LEU H . . . . . . 103 . 18863 1 >> 110 2 . 1 . . 59.172 . 1 1 1 73 LEU CA . . . . . . 586 . 18863 1 >> 110 3 . 1 . . 118.320 . 1 1 1 73 LEU N . . . . . . 104 . 18863 1 >> 111 1 . 1 . . 7.487 . 1 1 1 54 ARG H . . . . . . 105 . 18863 1 >> 111 2 . 1 . . 58.485 . 1 1 1 54 ARG CA . . . . . . 181 . 18863 1 >> 113 1 . 1 . . 7.486 . 1 1 1 54 ARG H . . . . . . 105 . 18863 1 >> 113 3 . 1 . . 118.215 . 1 1 1 54 ARG N . . . . . . 106 . 18863 1 >> 114 1 . 1 . . 8.395 . 1 1 1 19 LYS H . . . . . . 107 . 18863 1 >> 114 2 . 1 . . 65.866 . 1 1 1 19 LYS CA . . . . . . 226 . 18863 1 >> 114 3 . 1 . . 117.990 . 1 1 1 19 LYS N . . . . . . 108 . 18863 1 >> 115 1 . 1 . . 8.394 . 1 1 1 19 LYS H . . . . . . 107 . 18863 1 >> 115 3 . 1 . . 118.019 . 1 1 1 19 LYS N . . . . . . 108 . 18863 1 >> 117 1 . 1 . . 7.828 . 1 1 1 71 LEU H . . . . . . 109 . 18863 1 >> 117 2 . 1 . . 59.477 . 1 1 1 71 LEU CA . . . . . . 589 . 18863 1 >> 117 3 . 1 . . 118.045 . 1 1 1 71 LEU N . . . . . . 110 . 18863 1 >> 119 1 . 1 . . 7.583 . 1 1 1 55 LEU H . . . . . . 111 . 18863 1 >> 119 3 . 1 . . 117.949 . 1 1 1 55 LEU N . . . . . . 112 . 18863 1 >> 121 1 . 1 . . 7.583 . 1 1 1 55 LEU H . . . . . . 111 . 18863 1 >> 121 2 . 1 . . 56.943 . 1 . . . . . . . . . . . 192 . 18863 1 >> 121 3 . 1 . . 117.961 . 1 1 1 55 LEU N . . . . . . 112 . 18863 1 >> 122 1 . 1 . . 7.695 . 1 1 1 79 ARG H . . . . . . 115 . 18863 1 >> 122 3 . 1 . . 117.824 . 1 1 1 79 ARG N . . . . . . 116 . 18863 1 >> 123 1 . 1 . . 7.968 . 1 1 1 81 TYR H . . . . . . 113 . 18863 1 >> 123 2 . 1 . . 61.486 . 1 1 1 81 TYR CA . . . . . . 211 . 18863 1 >> 123 3 . 1 . . 117.820 . 1 1 1 81 TYR N . . . . . . 114 . 18863 1 >> 124 1 . 1 . . 7.777 . 1 1 1 11 MET H . . . . . . 117 . 18863 1 >> 124 2 . 1 . . 60.079 . 1 1 1 11 MET CA . . . . . . 240 . 18863 1 >> 124 3 . 1 . . 117.750 . 1 1 1 11 MET N . . . . . . 118 . 18863 1 >> 125 1 . 1 . . 7.795 . 1 1 1 11 MET H . . . . . . 117 . 18863 1 >> 125 3 . 1 . . 117.865 . 1 1 1 11 MET N . . . . . . 118 . 18863 1 >> 126 1 . 1 . . 7.696 . 1 1 1 79 ARG H . . . . . . 115 . 18863 1 >> 126 2 . 1 . . 59.390 . 1 1 1 79 ARG CA . . . . . . 213 . 18863 1 >> 126 3 . 1 . . 117.819 . 1 1 1 79 ARG N . . . . . . 116 . 18863 1 >> 127 1 . 1 . . 7.776 . 1 1 1 11 MET H . . . . . . 117 . 18863 1 >> 127 3 . 1 . . 117.782 . 1 1 1 11 MET N . . . . . . 118 . 18863 1 >> 128 1 . 1 . . 7.967 . 1 1 1 81 TYR H . . . . . . 113 . 18863 1 >> 128 3 . 1 . . 117.836 . 1 1 1 81 TYR N . . . . . . 114 . 18863 1 >> 129 1 . 1 . . 7.893 . 1 1 1 61 TYR H . . . . . . 119 . 18863 1 >> 129 2 . 1 . . 62.105 . 1 . . . . . . . . . . . 168 . 18863 1 >> 129 3 . 1 . . 117.501 . 1 1 1 61 TYR N . . . . . . 120 . 18863 1 >> 130 1 . 1 . . 7.894 . 1 1 1 61 TYR H . . . . . . 119 . 18863 1 >> 130 3 . 1 . . 117.504 . 1 1 1 61 TYR N . . . . . . 120 . 18863 1 >> 131 1 . 1 . . 7.673 . 1 1 1 66 VAL H . . . . . . 121 . 18863 1 >> 131 2 . 1 . . 64.925 . 1 . . . . . . . . . . . 173 . 18863 1 >> 131 3 . 1 . . 117.291 . 1 1 1 66 VAL N . . . . . . 122 . 18863 1 >> 133 1 . 1 . . 7.675 . 1 1 1 66 VAL H . . . . . . 121 . 18863 1 >> 133 3 . 1 . . 117.273 . 1 1 1 66 VAL N . . . . . . 122 . 18863 1 >> 134 1 . 1 . . 7.744 . 1 1 1 74 LEU H . . . . . . 125 . 18863 1 >> 134 3 . 1 . . 117.138 . 1 1 1 74 LEU N . . . . . . 126 . 18863 1 >> 135 1 . 1 . . 7.744 . 1 1 1 74 LEU H . . . . . . 125 . 18863 1 >> 135 2 . 1 . . 57.966 . 1 1 1 74 LEU CA . . . . . . 234 . 18863 1 >> 135 3 . 1 . . 117.151 . 1 1 1 74 LEU N . . . . . . 126 . 18863 1 >> 136 1 . 1 . . 7.926 . 1 1 1 7 GLU H . . . . . . 127 . 18863 1 >> 136 3 . 1 . . 116.906 . 1 1 1 7 GLU N . . . . . . 128 . 18863 1 >> 137 1 . 1 . . 7.928 . 1 1 1 7 GLU H . . . . . . 127 . 18863 1 >> 137 2 . 1 . . 60.787 . 1 1 1 7 GLU CA . . . . . . 236 . 18863 1 >> 137 3 . 1 . . 116.930 . 1 1 1 7 GLU N . . . . . . 128 . 18863 1 >> 140 1 . 1 . . 7.880 . 1 1 1 63 PHE H . . . . . . 131 . 18863 1 >> 140 2 . 1 . . 61.752 . 1 . . . . . . . . . . . 170 . 18863 1 >> 140 3 . 1 . . 116.658 . 1 1 1 63 PHE N . . . . . . 132 . 18863 1 >> 141 1 . 1 . . 7.980 . 1 1 1 64 TYR H . . . . . . 129 . 18863 1 >> 141 2 . 1 . . 61.442 . 1 . . . . . . . . . . . 171 . 18863 1 >> 141 3 . 1 . . 116.722 . 1 1 1 64 TYR N . . . . . . 130 . 18863 1 >> 143 1 . 1 . . 7.879 . 1 1 1 63 PHE H . . . . . . 131 . 18863 1 >> 143 3 . 1 . . 116.652 . 1 1 1 63 PHE N . . . . . . 132 . 18863 1 >> 146 1 . 1 . . 7.061 . 1 1 1 69 LEU H . . . . . . 135 . 18863 1 >> 146 3 . 1 . . 116.066 . 1 1 1 69 LEU N . . . . . . 136 . 18863 1 >> 147 1 . 1 . . 8.389 . 1 1 1 36 HIS H . . . . . . 133 . 18863 1 >> 147 2 . 1 . . 60.622 . 1 1 1 36 HIS CA . . . . . . 177 . 18863 1 >> 147 3 . 1 . . 116.085 . 1 1 1 36 HIS N . . . . . . 134 . 18863 1 >> 148 1 . 1 . . 7.061 . 1 1 1 69 LEU H . . . . . . 135 . 18863 1 >> 148 2 . 1 . . 59.092 . 1 . . . . . . . . . . . 242 . 18863 1 >> 148 3 . 1 . . 116.078 . 1 1 1 69 LEU N . . . . . . 136 . 18863 1 >> 149 1 . 1 . . 8.391 . 1 1 1 36 HIS H . . . . . . 133 . 18863 1 >> 149 3 . 1 . . 116.086 . 1 1 1 36 HIS N . . . . . . 134 . 18863 1 >> 150 1 . 1 . . 8.159 . 1 1 1 31 SER H . . . . . . 137 . 18863 1 >> 150 2 . 1 . . 63.820 . 1 1 1 31 SER CA . . . . . . 201 . 18863 1 >> 150 3 . 1 . . 115.917 . 1 1 1 31 SER N . . . . . . 138 . 18863 1 >> 151 1 . 1 . . 8.157 . 1 1 1 31 SER H . . . . . . 137 . 18863 1 >> 151 3 . 1 . . 115.934 . 1 1 1 31 SER N . . . . . . 138 . 18863 1 >> 152 1 . 1 . . 8.117 . 1 1 1 5 SER H . . . . . . 139 . 18863 1 >> 152 2 . 1 . . 58.908 . 1 1 1 5 SER CA . . . . . . 180 . 18863 1 >> 152 3 . 1 . . 115.291 . 1 1 1 5 SER N . . . . . . 140 . 18863 1 >> 153 1 . 1 . . 8.116 . 1 1 1 5 SER H . . . . . . 139 . 18863 1 >> 153 3 . 1 . . 115.298 . 1 1 1 5 SER N . . . . . . 140 . 18863 1 >> 154 1 . 1 . . 8.154 . 1 1 1 40 SER H . . . . . . 141 . 18863 1 >> 154 2 . 1 . . 64.474 . 1 1 1 40 SER CA . . . . . . 186 . 18863 1 >> 154 3 . 1 . . 114.824 . 1 1 1 40 SER N . . . . . . 142 . 18863 1 >> 155 1 . 1 . . 8.152 . 1 1 1 40 SER H . . . . . . 141 . 18863 1 >> 155 3 . 1 . . 114.774 . 1 1 1 40 SER N . . . . . . 142 . 18863 1 >> 156 1 . 1 . . 8.131 . 1 1 1 40 SER H . . . . . . 141 . 18863 1 >> 156 3 . 1 . . 114.650 . 1 1 1 40 SER N . . . . . . 142 . 18863 1 >> 157 1 . 1 . . 7.574 . 1 1 1 86 SER H . . . . . . 143 . 18863 1 >> 157 2 . 1 . . 59.372 . 1 . . . . . . . . . . . 206 . 18863 1 >> 157 3 . 1 . . 113.991 . 1 1 1 86 SER N . . . . . . 144 . 18863 1 >> 160 1 . 1 . . 7.573 . 1 1 1 86 SER H . . . . . . 143 . 18863 1 >> 160 3 . 1 . . 113.987 . 1 1 1 86 SER N . . . . . . 144 . 18863 1 >> 164 1 . 1 . . 8.600 . 1 1 1 37 GLY H . . . . . . 145 . 18863 1 >> 164 3 . 1 . . 110.402 . 1 1 1 37 GLY N . . . . . . 146 . 18863 1 >> 165 1 . 1 . . 8.603 . 1 1 1 37 GLY H . . . . . . 145 . 18863 1 >> 165 2 . 1 . . 48.850 . 1 1 1 37 GLY CA . . . . . . 178 . 18863 1 >> 165 3 . 1 . . 110.407 . 1 1 1 37 GLY N . . . . . . 146 . 18863 1 >> 167 1 . 1 . . 8.628 . 1 1 1 34 GLY H . . . . . . 155 . 18863 1 >> 167 3 . 1 . . 107.491 . 1 1 1 34 GLY N . . . . . . 156 . 18863 1 >> 168 1 . 1 . . 8.635 . 1 1 1 34 GLY H . . . . . . 155 . 18863 1 >> 168 2 . 1 . . 48.573 . 1 . . . . . . . . . . . 175 . 18863 1 >> 168 3 . 1 . . 107.514 . 1 1 1 34 GLY N . . . . . . 156 . 18863 1 >> 170 1 . 1 . . 8.056 . 1 1 1 4 GLY H . . . . . . 157 . 18863 1 >> 170 3 . 1 . . 107.289 . 1 1 1 4 GLY N . . . . . . 158 . 18863 1 >> 172 1 . 1 . . 8.055 . 1 1 1 4 GLY H . . . . . . 157 . 18863 1 >> 172 2 . 1 . . 46.200 . 1 1 1 4 GLY CA . . . . . . 179 . 18863 1 >> 172 3 . 1 . . 107.308 . 1 1 1 4 GLY N . . . . . . 158 . 18863 1 >> 173 1 . 1 . . 7.924 . 1 1 1 65 GLY H . . . . . . 159 . 18863 1 >> 173 3 . 1 . . 106.518 . 1 1 1 65 GLY N . . . . . . 160 . 18863 1 >> 174 1 . 1 . . 7.926 . 1 1 1 65 GLY H . . . . . . 159 . 18863 1 >> 174 2 . 1 . . 47.335 . 1 1 1 65 GLY CA . . . . . . 172 . 18863 1 >> 174 3 . 1 . . 106.527 . 1 1 1 65 GLY N . . . . . . 160 . 18863 1 >> 175 1 . 1 . . 8.221 . 1 1 1 58 GLY H . . . . . . 163 . 18863 1 >> 175 2 . 1 . . 48.038 . 1 . . . . . . . . . . . 165 . 18863 1 >> 175 3 . 1 . . 105.488 . 1 1 1 58 GLY N . . . . . . 164 . 18863 1 >> 176 1 . 1 . . 8.025 . 1 1 1 53 GLY H . . . . . . 182 . 18863 1 >> 176 2 . 1 . . 47.884 . 1 1 1 53 GLY CA . . . . . . 183 . 18863 1 >> 176 3 . 1 . . 106.108 . 1 1 1 53 GLY N . . . . . . 162 . 18863 1 >> 179 2 . 1 . . 178.133 . 1 1 1 19 LYS C . . . . . . 517 . 18863 1 >> 180 2 . 1 . . 181.166 . 1 1 1 20 ALA C . . . . . . 518 . 18863 1 >> 181 2 . 1 . . 180.035 . 1 1 1 21 LEU C . . . . . . 519 . 18863 1 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2 _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 $methanol_CN _Sample_conditions_label $methanol_25c _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 18863 >> _Spectral_peak_list.ID 2 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $methanol_CN >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $methanol_25c >> _Spectral_peak_list.Experiment_ID 2 >> _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 . 3002.93 . . . 18863 2 >> 2 N 15 15N . 2500.00 . . . 18863 2 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 18863 2 >> 2 1.0 . 18863 2 >> 3 1.0 . 18863 2 >> 4 1.0 . 18863 2 >> 5 1.0 . 18863 2 >> 6 1.0 . 18863 2 >> 7 1.0 . 18863 2 >> 8 1.0 . 18863 2 >> 9 1.0 . 18863 2 >> 10 1.0 . 18863 2 >> 11 1.0 . 18863 2 >> 12 1.0 . 18863 2 >> 13 1.0 . 18863 2 >> 14 1.0 . 18863 2 >> 15 1.0 . 18863 2 >> 16 1.0 . 18863 2 >> 17 1.0 . 18863 2 >> 18 1.0 . 18863 2 >> 19 1.0 . 18863 2 >> 20 1.0 . 18863 2 >> 21 1.0 . 18863 2 >> 22 1.0 . 18863 2 >> 23 1.0 . 18863 2 >> 24 1.0 . 18863 2 >> 25 1.0 . 18863 2 >> 26 1.0 . 18863 2 >> 27 1.0 . 18863 2 >> 28 1.0 . 18863 2 >> 29 1.0 . 18863 2 >> 30 1.0 . 18863 2 >> 31 1.0 . 18863 2 >> 32 1.0 . 18863 2 >> 33 1.0 . 18863 2 >> 34 1.0 . 18863 2 >> 35 1.0 . 18863 2 >> 36 1.0 . 18863 2 >> 37 1.0 . 18863 2 >> 38 1.0 . 18863 2 >> 39 1.0 . 18863 2 >> 40 1.0 . 18863 2 >> 41 1.0 . 18863 2 >> 42 1.0 . 18863 2 >> 43 1.0 . 18863 2 >> 44 1.0 . 18863 2 >> 45 1.0 . 18863 2 >> 46 1.0 . 18863 2 >> 47 1.0 . 18863 2 >> 48 1.0 . 18863 2 >> 49 1.0 . 18863 2 >> 50 1.0 . 18863 2 >> 51 1.0 . 18863 2 >> 52 1.0 . 18863 2 >> 53 1.0 . 18863 2 >> 54 1.0 . 18863 2 >> 55 1.0 . 18863 2 >> 56 1.0 . 18863 2 >> 57 1.0 . 18863 2 >> 58 1.0 . 18863 2 >> 59 1.0 . 18863 2 >> 60 1.0 . 18863 2 >> 61 1.0 . 18863 2 >> 62 1.0 . 18863 2 >> 63 1.0 . 18863 2 >> 64 1.0 . 18863 2 >> 65 1.0 . 18863 2 >> 66 1.0 . 18863 2 >> 67 1.0 . 18863 2 >> 68 1.0 . 18863 2 >> 69 1.0 . 18863 2 >> 70 1.0 . 18863 2 >> 71 1.0 . 18863 2 >> 72 1.0 . 18863 2 >> 73 1.0 . 18863 2 >> 74 1.0 . 18863 2 >> 75 1.0 . 18863 2 >> 76 1.0 . 18863 2 >> 77 1.0 . 18863 2 >> 78 1.0 . 18863 2 >> 79 1.0 . 18863 2 >> 80 1.0 . 18863 2 >> 81 1.0 . 18863 2 >> 82 1.0 . 18863 2 >> 83 1.0 . 18863 2 >> 84 1.0 . 18863 2 >> 85 1.0 . 18863 2 >> 86 1.0 . 18863 2 >> 87 1.0 . 18863 2 >> 88 1.0 . 18863 2 >> 89 1.0 . 18863 2 >> 90 1.0 . 18863 2 >> 91 1.0 . 18863 2 >> 92 1.0 . 18863 2 >> 93 1.0 . 18863 2 >> 94 1.0 . 18863 2 >> 95 1.0 . 18863 2 >> 96 1.0 . 18863 2 >> 97 1.0 . 18863 2 >> 98 1.0 . 18863 2 >> 99 1.0 . 18863 2 >> 100 1.0 . 18863 2 >> 101 1.0 . 18863 2 >> 102 1.0 . 18863 2 >> 103 1.0 . 18863 2 >> 104 1.0 . 18863 2 >> 105 1.0 . 18863 2 >> 106 1.0 . 18863 2 >> 107 1.0 . 18863 2 >> 108 1.0 . 18863 2 >> 109 1.0 . 18863 2 >> 110 1.0 . 18863 2 >> 111 1.0 . 18863 2 >> 112 1.0 . 18863 2 >> 113 1.0 . 18863 2 >> 114 1.0 . 18863 2 >> 115 1.0 . 18863 2 >> 116 1.0 . 18863 2 >> 117 1.0 . 18863 2 >> 118 1.0 . 18863 2 >> 119 1.0 . 18863 2 >> 120 1.0 . 18863 2 >> 121 1.0 . 18863 2 >> 122 1.0 . 18863 2 >> 123 1.0 . 18863 2 >> 124 1.0 . 18863 2 >> 125 1.0 . 18863 2 >> 126 1.0 . 18863 2 >> 127 1.0 . 18863 2 >> 128 1.0 . 18863 2 >> 129 1.0 . 18863 2 >> 130 1.0 . 18863 2 >> 131 1.0 . 18863 2 >> 132 1.0 . 18863 2 >> 133 1.0 . 18863 2 >> 134 1.0 . 18863 2 >> 135 1.0 . 18863 2 >> 136 1.0 . 18863 2 >> 137 1.0 . 18863 2 >> 138 1.0 . 18863 2 >> 139 1.0 . 18863 2 >> 140 1.0 . 18863 2 >> 141 1.0 . 18863 2 >> 142 1.0 . 18863 2 >> 143 1.0 . 18863 2 >> 144 1.0 . 18863 2 >> 145 1.0 . 18863 2 >> 146 1.0 . 18863 2 >> 147 1.0 . 18863 2 >> 148 1.0 . 18863 2 >> 149 1.0 . 18863 2 >> 150 1.0 . 18863 2 >> 151 1.0 . 18863 2 >> 152 1.0 . 18863 2 >> 153 1.0 . 18863 2 >> 154 1.0 . 18863 2 >> 155 1.0 . 18863 2 >> 156 1.0 . 18863 2 >> 157 1.0 . 18863 2 >> 158 1.0 . 18863 2 >> 159 1.0 . 18863 2 >> 160 1.0 . 18863 2 >> 161 1.0 . 18863 2 >> 162 1.0 . 18863 2 >> 163 1.0 . 18863 2 >> 164 1.0 . 18863 2 >> 165 1.0 . 18863 2 >> 166 1.0 . 18863 2 >> 167 1.0 . 18863 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 25042584.00 . height 18863 2 >> 1 186748177.00 . volume 18863 2 >> 2 18151780.00 . height 18863 2 >> 2 132117700.00 . volume 18863 2 >> 3 10770750.00 . height 18863 2 >> 3 79512089.00 . volume 18863 2 >> 4 19390378.00 . height 18863 2 >> 4 140510326.00 . volume 18863 2 >> 5 12804522.00 . height 18863 2 >> 5 94661199.00 . volume 18863 2 >> 6 12698293.00 . height 18863 2 >> 6 94920063.00 . volume 18863 2 >> 7 11507389.00 . height 18863 2 >> 7 88878641.00 . volume 18863 2 >> 8 12849710.00 . height 18863 2 >> 8 90268702.00 . volume 18863 2 >> 9 9354177.00 . height 18863 2 >> 9 70783150.00 . volume 18863 2 >> 10 26239802.00 . height 18863 2 >> 10 194167555.00 . volume 18863 2 >> 11 24858378.00 . height 18863 2 >> 11 176992055.00 . volume 18863 2 >> 12 16895698.00 . height 18863 2 >> 12 133009720.00 . volume 18863 2 >> 13 13533434.00 . height 18863 2 >> 13 108993654.00 . volume 18863 2 >> 14 14172210.00 . height 18863 2 >> 14 105448883.00 . volume 18863 2 >> 15 30374780.00 . height 18863 2 >> 15 210036693.00 . volume 18863 2 >> 16 12215550.00 . height 18863 2 >> 16 95029158.00 . volume 18863 2 >> 17 21242748.00 . height 18863 2 >> 17 152979107.00 . volume 18863 2 >> 18 11340569.00 . height 18863 2 >> 18 83359817.00 . volume 18863 2 >> 19 4985751.50 . height 18863 2 >> 19 33751245.25 . volume 18863 2 >> 20 14237231.00 . height 18863 2 >> 20 109183624.00 . volume 18863 2 >> 21 16198912.00 . height 18863 2 >> 21 128244368.00 . volume 18863 2 >> 22 14386472.00 . height 18863 2 >> 22 103695593.00 . volume 18863 2 >> 23 13385722.00 . height 18863 2 >> 23 100445812.00 . volume 18863 2 >> 24 13186623.00 . height 18863 2 >> 24 92321595.50 . volume 18863 2 >> 25 8710566.00 . height 18863 2 >> 25 66225882.00 . volume 18863 2 >> 26 23162990.00 . height 18863 2 >> 26 178917597.00 . volume 18863 2 >> 27 11110978.00 . height 18863 2 >> 27 87393997.00 . volume 18863 2 >> 28 10845358.00 . height 18863 2 >> 28 88730729.00 . volume 18863 2 >> 29 13155829.00 . height 18863 2 >> 29 103859464.00 . volume 18863 2 >> 30 11012501.00 . height 18863 2 >> 30 88262087.00 . volume 18863 2 >> 31 13193052.00 . height 18863 2 >> 31 99114463.00 . volume 18863 2 >> 32 21073582.00 . height 18863 2 >> 32 164525354.00 . volume 18863 2 >> 33 20279800.00 . height 18863 2 >> 33 153707714.00 . volume 18863 2 >> 34 29889176.00 . height 18863 2 >> 34 211911292.00 . volume 18863 2 >> 35 33337310.00 . height 18863 2 >> 35 227502172.00 . volume 18863 2 >> 36 36144864.00 . height 18863 2 >> 36 266127174.00 . volume 18863 2 >> 37 10759510.00 . height 18863 2 >> 37 84093785.00 . volume 18863 2 >> 38 28585390.00 . height 18863 2 >> 38 208004978.00 . volume 18863 2 >> 39 22843166.00 . height 18863 2 >> 39 166320811.00 . volume 18863 2 >> 40 25751824.00 . height 18863 2 >> 40 182169461.00 . volume 18863 2 >> 41 11103719.00 . height 18863 2 >> 41 83452052.50 . volume 18863 2 >> 42 9342777.00 . height 18863 2 >> 42 72433312.50 . volume 18863 2 >> 43 10601427.00 . height 18863 2 >> 43 81333723.50 . volume 18863 2 >> 44 14677483.00 . height 18863 2 >> 44 112180950.00 . volume 18863 2 >> 45 13267665.00 . height 18863 2 >> 45 103360722.00 . volume 18863 2 >> 46 12515585.00 . height 18863 2 >> 46 94229339.00 . volume 18863 2 >> 47 24355108.00 . height 18863 2 >> 47 172749002.00 . volume 18863 2 >> 48 12254503.00 . height 18863 2 >> 48 102272281.00 . volume 18863 2 >> 49 24364758.00 . height 18863 2 >> 49 175674083.00 . volume 18863 2 >> 50 13422610.00 . height 18863 2 >> 50 101415851.00 . volume 18863 2 >> 51 13336782.00 . height 18863 2 >> 51 98778507.50 . volume 18863 2 >> 52 22607190.00 . height 18863 2 >> 52 161021487.00 . volume 18863 2 >> 53 11510321.00 . height 18863 2 >> 53 85103085.50 . volume 18863 2 >> 54 9188537.00 . height 18863 2 >> 54 71144394.00 . volume 18863 2 >> 55 24550150.00 . height 18863 2 >> 55 177455087.00 . volume 18863 2 >> 56 11007687.00 . height 18863 2 >> 56 85242557.00 . volume 18863 2 >> 57 23635660.00 . height 18863 2 >> 57 172120881.00 . volume 18863 2 >> 58 15916148.00 . height 18863 2 >> 58 119128621.00 . volume 18863 2 >> 59 14922088.00 . height 18863 2 >> 59 118496271.00 . volume 18863 2 >> 60 21192994.00 . height 18863 2 >> 60 156492188.00 . volume 18863 2 >> 61 21252666.00 . height 18863 2 >> 61 158398222.00 . volume 18863 2 >> 62 5486069.50 . height 18863 2 >> 62 41997822.50 . volume 18863 2 >> 63 21824036.00 . height 18863 2 >> 63 161241944.00 . volume 18863 2 >> 64 15329373.00 . height 18863 2 >> 64 120626703.00 . volume 18863 2 >> 65 23021168.00 . height 18863 2 >> 65 169667766.00 . volume 18863 2 >> 66 22073748.00 . height 18863 2 >> 66 163290355.00 . volume 18863 2 >> 67 9517213.00 . height 18863 2 >> 67 68808449.00 . volume 18863 2 >> 68 26604648.00 . height 18863 2 >> 68 192675988.00 . volume 18863 2 >> 69 13231343.00 . height 18863 2 >> 69 95588479.00 . volume 18863 2 >> 70 25609602.00 . height 18863 2 >> 70 180439147.00 . volume 18863 2 >> 71 11406736.00 . height 18863 2 >> 71 88237486.00 . volume 18863 2 >> 72 28142582.00 . height 18863 2 >> 72 207857264.00 . volume 18863 2 >> 73 8656656.00 . height 18863 2 >> 73 68188364.00 . volume 18863 2 >> 74 13728202.00 . height 18863 2 >> 74 96043564.00 . volume 18863 2 >> 75 12968151.00 . height 18863 2 >> 75 94296832.50 . volume 18863 2 >> 76 12248012.00 . height 18863 2 >> 76 89376871.00 . volume 18863 2 >> 77 9465375.00 . height 18863 2 >> 77 72965924.50 . volume 18863 2 >> 78 9493538.00 . height 18863 2 >> 78 73419012.50 . volume 18863 2 >> 79 28636204.00 . height 18863 2 >> 79 209265202.00 . volume 18863 2 >> 80 17660380.00 . height 18863 2 >> 80 132665053.00 . volume 18863 2 >> 81 8156826.00 . height 18863 2 >> 81 64590000.00 . volume 18863 2 >> 82 12527562.00 . height 18863 2 >> 82 97411289.50 . volume 18863 2 >> 83 16230398.00 . height 18863 2 >> 83 136909071.00 . volume 18863 2 >> 84 25042584.00 . height 18863 2 >> 84 186748177.00 . volume 18863 2 >> 85 18151780.00 . height 18863 2 >> 85 132117700.00 . volume 18863 2 >> 86 10770750.00 . height 18863 2 >> 86 79512089.00 . volume 18863 2 >> 87 19390378.00 . height 18863 2 >> 87 140510326.00 . volume 18863 2 >> 88 12804522.00 . height 18863 2 >> 88 94661199.00 . volume 18863 2 >> 89 12698293.00 . height 18863 2 >> 89 94920063.00 . volume 18863 2 >> 90 11507389.00 . height 18863 2 >> 90 88878641.00 . volume 18863 2 >> 91 12849710.00 . height 18863 2 >> 91 90268702.00 . volume 18863 2 >> 92 9354177.00 . height 18863 2 >> 92 70783150.00 . volume 18863 2 >> 93 26239802.00 . height 18863 2 >> 93 194167555.00 . volume 18863 2 >> 94 24858378.00 . height 18863 2 >> 94 176992055.00 . volume 18863 2 >> 95 16895698.00 . height 18863 2 >> 95 133009720.00 . volume 18863 2 >> 96 13533434.00 . height 18863 2 >> 96 108993654.00 . volume 18863 2 >> 97 14172210.00 . height 18863 2 >> 97 105448883.00 . volume 18863 2 >> 98 30374780.00 . height 18863 2 >> 98 210036693.00 . volume 18863 2 >> 99 12215550.00 . height 18863 2 >> 99 95029158.00 . volume 18863 2 >> 100 21242748.00 . height 18863 2 >> 100 152979107.00 . volume 18863 2 >> 101 11340569.00 . height 18863 2 >> 101 83359817.00 . volume 18863 2 >> 102 4985751.50 . height 18863 2 >> 102 33751245.25 . volume 18863 2 >> 103 14237231.00 . height 18863 2 >> 103 109183624.00 . volume 18863 2 >> 104 16198912.00 . height 18863 2 >> 104 128244368.00 . volume 18863 2 >> 105 14386472.00 . height 18863 2 >> 105 103695593.00 . volume 18863 2 >> 106 13385722.00 . height 18863 2 >> 106 100445812.00 . volume 18863 2 >> 107 13186623.00 . height 18863 2 >> 107 92321595.50 . volume 18863 2 >> 108 8710566.00 . height 18863 2 >> 108 66225882.00 . volume 18863 2 >> 109 23162990.00 . height 18863 2 >> 109 178917597.00 . volume 18863 2 >> 110 11110978.00 . height 18863 2 >> 110 87393997.00 . volume 18863 2 >> 111 10845358.00 . height 18863 2 >> 111 88730729.00 . volume 18863 2 >> 112 13155829.00 . height 18863 2 >> 112 103859464.00 . volume 18863 2 >> 113 11012501.00 . height 18863 2 >> 113 88262087.00 . volume 18863 2 >> 114 13193052.00 . height 18863 2 >> 114 99114463.00 . volume 18863 2 >> 115 21073582.00 . height 18863 2 >> 115 164525354.00 . volume 18863 2 >> 116 20279800.00 . height 18863 2 >> 116 153707714.00 . volume 18863 2 >> 117 29889176.00 . height 18863 2 >> 117 211911292.00 . volume 18863 2 >> 118 33337310.00 . height 18863 2 >> 118 227502172.00 . volume 18863 2 >> 119 36144864.00 . height 18863 2 >> 119 266127174.00 . volume 18863 2 >> 120 10759510.00 . height 18863 2 >> 120 84093785.00 . volume 18863 2 >> 121 28585390.00 . height 18863 2 >> 121 208004978.00 . volume 18863 2 >> 122 22843166.00 . height 18863 2 >> 122 166320811.00 . volume 18863 2 >> 123 25751824.00 . height 18863 2 >> 123 182169461.00 . volume 18863 2 >> 124 11103719.00 . height 18863 2 >> 124 83452052.50 . volume 18863 2 >> 125 9342777.00 . height 18863 2 >> 125 72433312.50 . volume 18863 2 >> 126 10601427.00 . height 18863 2 >> 126 81333723.50 . volume 18863 2 >> 127 14677483.00 . height 18863 2 >> 127 112180950.00 . volume 18863 2 >> 128 13267665.00 . height 18863 2 >> 128 103360722.00 . volume 18863 2 >> 129 12515585.00 . height 18863 2 >> 129 94229339.00 . volume 18863 2 >> 130 24355108.00 . height 18863 2 >> 130 172749002.00 . volume 18863 2 >> 131 12254503.00 . height 18863 2 >> 131 102272281.00 . volume 18863 2 >> 132 24364758.00 . height 18863 2 >> 132 175674083.00 . volume 18863 2 >> 133 13422610.00 . height 18863 2 >> 133 101415851.00 . volume 18863 2 >> 134 13336782.00 . height 18863 2 >> 134 98778507.50 . volume 18863 2 >> 135 22607190.00 . height 18863 2 >> 135 161021487.00 . volume 18863 2 >> 136 11510321.00 . height 18863 2 >> 136 85103085.50 . volume 18863 2 >> 137 9188537.00 . height 18863 2 >> 137 71144394.00 . volume 18863 2 >> 138 24550150.00 . height 18863 2 >> 138 177455087.00 . volume 18863 2 >> 139 11007687.00 . height 18863 2 >> 139 85242557.00 . volume 18863 2 >> 140 23635660.00 . height 18863 2 >> 140 172120881.00 . volume 18863 2 >> 141 15916148.00 . height 18863 2 >> 141 119128621.00 . volume 18863 2 >> 142 14922088.00 . height 18863 2 >> 142 118496271.00 . volume 18863 2 >> 143 21192994.00 . height 18863 2 >> 143 156492188.00 . volume 18863 2 >> 144 21252666.00 . height 18863 2 >> 144 158398222.00 . volume 18863 2 >> 145 5486069.50 . height 18863 2 >> 145 41997822.50 . volume 18863 2 >> 146 21824036.00 . height 18863 2 >> 146 161241944.00 . volume 18863 2 >> 147 15329373.00 . height 18863 2 >> 147 120626703.00 . volume 18863 2 >> 148 23021168.00 . height 18863 2 >> 148 169667766.00 . volume 18863 2 >> 149 22073748.00 . height 18863 2 >> 149 163290355.00 . volume 18863 2 >> 150 9517213.00 . height 18863 2 >> 150 68808449.00 . volume 18863 2 >> 151 26604648.00 . height 18863 2 >> 151 192675988.00 . volume 18863 2 >> 152 13231343.00 . height 18863 2 >> 152 95588479.00 . volume 18863 2 >> 153 25609602.00 . height 18863 2 >> 153 180439147.00 . volume 18863 2 >> 154 11406736.00 . height 18863 2 >> 154 88237486.00 . volume 18863 2 >> 155 28142582.00 . height 18863 2 >> 155 207857264.00 . volume 18863 2 >> 156 8656656.00 . height 18863 2 >> 156 68188364.00 . volume 18863 2 >> 157 13728202.00 . height 18863 2 >> 157 96043564.00 . volume 18863 2 >> 158 12968151.00 . height 18863 2 >> 158 94296832.50 . volume 18863 2 >> 159 12248012.00 . height 18863 2 >> 159 89376871.00 . volume 18863 2 >> 160 9465375.00 . height 18863 2 >> 160 72965924.50 . volume 18863 2 >> 161 9493538.00 . height 18863 2 >> 161 73419012.50 . volume 18863 2 >> 162 28636204.00 . height 18863 2 >> 162 209265202.00 . volume 18863 2 >> 163 17660380.00 . height 18863 2 >> 163 132665053.00 . volume 18863 2 >> 164 8156826.00 . height 18863 2 >> 164 64590000.00 . volume 18863 2 >> 165 12527562.00 . height 18863 2 >> 165 97411289.50 . volume 18863 2 >> 166 16230398.00 . height 18863 2 >> 166 136909071.00 . volume 18863 2 >> 167 13070489.00 . height 18863 2 >> 167 106334992.00 . volume 18863 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 10.142 . . . . . . . . . . . . 8 18863 2 >> 1 2 128.811 . . . . . . . . . . . . 8 18863 2 >> 2 1 9.771 . . . . . . . . . . . . 8 18863 2 >> 2 2 128.443 . . . . . . . . . . . . 8 18863 2 >> 3 1 8.341 . . . . . . . . . . . . 8 18863 2 >> 3 2 125.008 . . . . . . . . . . . . 8 18863 2 >> 4 1 7.935 . . . . . . . . . . . . 8 18863 2 >> 4 2 123.891 . . . . . . . . . . . . 8 18863 2 >> 5 1 8.307 . . . . . . . . . . . . 8 18863 2 >> 5 2 123.691 . . . . . . . . . . . . 8 18863 2 >> 6 1 8.542 . . . . . . . . . . . . 8 18863 2 >> 6 2 123.515 . . . . . . . . . . . . 8 18863 2 >> 7 1 8.241 . . . . . . . . . . . . 8 18863 2 >> 7 2 123.098 . . . . . . . . . . . . 8 18863 2 >> 8 1 8.121 . . . . . . . . . . . . 8 18863 2 >> 8 2 123.058 . . . . . . . . . . . . 8 18863 2 >> 9 1 8.316 . . . . . . . . . . . . 8 18863 2 >> 9 2 122.868 . . . . . . . . . . . . 8 18863 2 >> 10 1 8.003 . . . . . . . . . . . . 8 18863 2 >> 10 2 122.685 . . . . . . . . . . . . 8 18863 2 >> 11 1 8.162 . . . . . . . . . . . . 8 18863 2 >> 11 2 122.649 . . . . . . . . . . . . 8 18863 2 >> 12 1 8.106 . . . . . . . . . . . . 8 18863 2 >> 12 2 122.617 . . . . . . . . . . . . 8 18863 2 >> 13 1 8.023 . . . . . . . . . . . . 8 18863 2 >> 13 2 122.364 . . . . . . . . . . . . 8 18863 2 >> 14 1 7.821 . . . . . . . . . . . . 8 18863 2 >> 14 2 122.372 . . . . . . . . . . . . 8 18863 2 >> 15 1 7.910 . . . . . . . . . . . . 8 18863 2 >> 15 2 121.719 . . . . . . . . . . . . 8 18863 2 >> 16 1 8.164 . . . . . . . . . . . . 8 18863 2 >> 16 2 121.559 . . . . . . . . . . . . 8 18863 2 >> 17 1 7.860 . . . . . . . . . . . . 8 18863 2 >> 17 2 121.557 . . . . . . . . . . . . 8 18863 2 >> 18 1 8.543 . . . . . . . . . . . . 8 18863 2 >> 18 2 121.453 . . . . . . . . . . . . 8 18863 2 >> 19 1 8.273 . . . . . . . . . . . . 8 18863 2 >> 19 2 121.260 . . . . . . . . . . . . 8 18863 2 >> 20 1 8.156 . . . . . . . . . . . . 8 18863 2 >> 20 2 121.101 . . . . . . . . . . . . 8 18863 2 >> 21 1 8.135 . . . . . . . . . . . . 8 18863 2 >> 21 2 121.070 . . . . . . . . . . . . 8 18863 2 >> 22 1 7.957 . . . . . . . . . . . . 8 18863 2 >> 22 2 121.022 . . . . . . . . . . . . 8 18863 2 >> 23 1 8.306 . . . . . . . . . . . . 8 18863 2 >> 23 2 120.951 . . . . . . . . . . . . 8 18863 2 >> 24 1 8.584 . . . . . . . . . . . . 8 18863 2 >> 24 2 120.934 . . . . . . . . . . . . 8 18863 2 >> 25 1 8.799 . . . . . . . . . . . . 8 18863 2 >> 25 2 120.754 . . . . . . . . . . . . 8 18863 2 >> 26 1 8.056 . . . . . . . . . . . . 8 18863 2 >> 26 2 120.616 . . . . . . . . . . . . 8 18863 2 >> 27 1 8.394 . . . . . . . . . . . . 8 18863 2 >> 27 2 120.610 . . . . . . . . . . . . 8 18863 2 >> 28 1 8.210 . . . . . . . . . . . . 8 18863 2 >> 28 2 120.614 . . . . . . . . . . . . 8 18863 2 >> 29 1 8.248 . . . . . . . . . . . . 8 18863 2 >> 29 2 120.500 . . . . . . . . . . . . 8 18863 2 >> 30 1 8.345 . . . . . . . . . . . . 8 18863 2 >> 30 2 120.446 . . . . . . . . . . . . 8 18863 2 >> 31 1 8.505 . . . . . . . . . . . . 8 18863 2 >> 31 2 120.404 . . . . . . . . . . . . 8 18863 2 >> 32 1 8.287 . . . . . . . . . . . . 8 18863 2 >> 32 2 120.389 . . . . . . . . . . . . 8 18863 2 >> 33 1 8.027 . . . . . . . . . . . . 8 18863 2 >> 33 2 120.254 . . . . . . . . . . . . 8 18863 2 >> 34 1 7.781 . . . . . . . . . . . . 8 18863 2 >> 34 2 120.283 . . . . . . . . . . . . 8 18863 2 >> 35 1 7.875 . . . . . . . . . . . . 8 18863 2 >> 35 2 120.228 . . . . . . . . . . . . 8 18863 2 >> 36 1 8.182 . . . . . . . . . . . . 8 18863 2 >> 36 2 120.125 . . . . . . . . . . . . 8 18863 2 >> 37 1 8.531 . . . . . . . . . . . . 8 18863 2 >> 37 2 119.999 . . . . . . . . . . . . 8 18863 2 >> 38 1 7.706 . . . . . . . . . . . . 8 18863 2 >> 38 2 119.782 . . . . . . . . . . . . 8 18863 2 >> 39 1 7.634 . . . . . . . . . . . . 8 18863 2 >> 39 2 119.802 . . . . . . . . . . . . 8 18863 2 >> 40 1 7.819 . . . . . . . . . . . . 8 18863 2 >> 40 2 119.749 . . . . . . . . . . . . 8 18863 2 >> 41 1 8.084 . . . . . . . . . . . . 8 18863 2 >> 41 2 119.725 . . . . . . . . . . . . 8 18863 2 >> 42 1 8.231 . . . . . . . . . . . . 8 18863 2 >> 42 2 119.656 . . . . . . . . . . . . 8 18863 2 >> 43 1 8.474 . . . . . . . . . . . . 8 18863 2 >> 43 2 119.635 . . . . . . . . . . . . 8 18863 2 >> 44 1 8.181 . . . . . . . . . . . . 8 18863 2 >> 44 2 119.509 . . . . . . . . . . . . 8 18863 2 >> 45 1 8.078 . . . . . . . . . . . . 8 18863 2 >> 45 2 119.491 . . . . . . . . . . . . 8 18863 2 >> 46 1 7.964 . . . . . . . . . . . . 8 18863 2 >> 46 2 119.519 . . . . . . . . . . . . 8 18863 2 >> 47 1 7.515 . . . . . . . . . . . . 8 18863 2 >> 47 2 119.399 . . . . . . . . . . . . 8 18863 2 >> 48 1 7.620 . . . . . . . . . . . . 8 18863 2 >> 48 2 119.261 . . . . . . . . . . . . 8 18863 2 >> 49 1 7.640 . . . . . . . . . . . . 8 18863 2 >> 49 2 119.095 . . . . . . . . . . . . 8 18863 2 >> 50 1 8.022 . . . . . . . . . . . . 8 18863 2 >> 50 2 118.732 . . . . . . . . . . . . 8 18863 2 >> 51 1 8.391 . . . . . . . . . . . . 8 18863 2 >> 51 2 118.559 . . . . . . . . . . . . 8 18863 2 >> 52 1 7.822 . . . . . . . . . . . . 8 18863 2 >> 52 2 118.413 . . . . . . . . . . . . 8 18863 2 >> 53 1 7.488 . . . . . . . . . . . . 8 18863 2 >> 53 2 118.248 . . . . . . . . . . . . 8 18863 2 >> 54 1 8.399 . . . . . . . . . . . . 8 18863 2 >> 54 2 117.986 . . . . . . . . . . . . 8 18863 2 >> 55 1 7.829 . . . . . . . . . . . . 8 18863 2 >> 55 2 117.993 . . . . . . . . . . . . 8 18863 2 >> 56 1 7.585 . . . . . . . . . . . . 8 18863 2 >> 56 2 117.955 . . . . . . . . . . . . 8 18863 2 >> 57 1 7.971 . . . . . . . . . . . . 8 18863 2 >> 57 2 117.847 . . . . . . . . . . . . 8 18863 2 >> 58 1 7.697 . . . . . . . . . . . . 8 18863 2 >> 58 2 117.846 . . . . . . . . . . . . 8 18863 2 >> 59 1 7.780 . . . . . . . . . . . . 8 18863 2 >> 59 2 117.780 . . . . . . . . . . . . 8 18863 2 >> 60 1 7.897 . . . . . . . . . . . . 8 18863 2 >> 60 2 117.492 . . . . . . . . . . . . 8 18863 2 >> 61 1 7.677 . . . . . . . . . . . . 8 18863 2 >> 61 2 117.311 . . . . . . . . . . . . 8 18863 2 >> 62 1 7.882 . . . . . . . . . . . . 8 18863 2 >> 62 2 117.236 . . . . . . . . . . . . 8 18863 2 >> 63 1 7.746 . . . . . . . . . . . . 8 18863 2 >> 63 2 117.170 . . . . . . . . . . . . 8 18863 2 >> 64 1 7.929 . . . . . . . . . . . . 8 18863 2 >> 64 2 116.922 . . . . . . . . . . . . 8 18863 2 >> 65 1 7.983 . . . . . . . . . . . . 8 18863 2 >> 65 2 116.736 . . . . . . . . . . . . 8 18863 2 >> 66 1 7.884 . . . . . . . . . . . . 8 18863 2 >> 66 2 116.664 . . . . . . . . . . . . 8 18863 2 >> 67 1 8.394 . . . . . . . . . . . . 8 18863 2 >> 67 2 116.101 . . . . . . . . . . . . 8 18863 2 >> 68 1 7.061 . . . . . . . . . . . . 8 18863 2 >> 68 2 116.087 . . . . . . . . . . . . 8 18863 2 >> 69 1 8.161 . . . . . . . . . . . . 8 18863 2 >> 69 2 115.944 . . . . . . . . . . . . 8 18863 2 >> 70 1 8.120 . . . . . . . . . . . . 8 18863 2 >> 70 2 115.309 . . . . . . . . . . . . 8 18863 2 >> 71 1 8.153 . . . . . . . . . . . . 8 18863 2 >> 71 2 114.826 . . . . . . . . . . . . 8 18863 2 >> 72 1 7.575 . . . . . . . . . . . . 8 18863 2 >> 72 2 114.008 . . . . . . . . . . . . 8 18863 2 >> 73 1 8.605 . . . . . . . . . . . . 8 18863 2 >> 73 2 110.439 . . . . . . . . . . . . 8 18863 2 >> 74 1 7.524 . . . . . . . . . . . . 8 18863 2 >> 74 2 108.892 . . . . . . . . . . . . 8 18863 2 >> 75 1 6.742 . . . . . . . . . . . . 8 18863 2 >> 75 2 108.889 . . . . . . . . . . . . 8 18863 2 >> 76 1 7.533 . . . . . . . . . . . . 8 18863 2 >> 76 2 108.349 . . . . . . . . . . . . 8 18863 2 >> 77 1 6.725 . . . . . . . . . . . . 8 18863 2 >> 77 2 108.347 . . . . . . . . . . . . 8 18863 2 >> 78 1 8.635 . . . . . . . . . . . . 8 18863 2 >> 78 2 107.489 . . . . . . . . . . . . 8 18863 2 >> 79 1 8.057 . . . . . . . . . . . . 8 18863 2 >> 79 2 107.303 . . . . . . . . . . . . 8 18863 2 >> 80 1 7.927 . . . . . . . . . . . . 8 18863 2 >> 80 2 106.521 . . . . . . . . . . . . 8 18863 2 >> 81 1 8.026 . . . . . . . . . . . . 8 18863 2 >> 81 2 106.116 . . . . . . . . . . . . 8 18863 2 >> 82 1 8.222 . . . . . . . . . . . . 8 18863 2 >> 82 2 105.485 . . . . . . . . . . . . 8 18863 2 >> 83 1 8.078 . . . . . . . . . . . . 8 18863 2 >> 83 2 120.547 . . . . . . . . . . . . 8 18863 2 >> 84 1 10.142 . . . . . . . . . . . . 8 18863 2 >> 84 2 128.811 . . . . . . . . . . . . 8 18863 2 >> 85 1 9.771 . . . . . . . . . . . . 8 18863 2 >> 85 2 128.443 . . . . . . . . . . . . 8 18863 2 >> 86 1 8.341 . . . . . . . . . . . . 8 18863 2 >> 86 2 125.008 . . . . . . . . . . . . 8 18863 2 >> 87 1 7.935 . . . . . . . . . . . . 8 18863 2 >> 87 2 123.891 . . . . . . . . . . . . 8 18863 2 >> 88 1 8.307 . . . . . . . . . . . . 8 18863 2 >> 88 2 123.691 . . . . . . . . . . . . 8 18863 2 >> 89 1 8.542 . . . . . . . . . . . . 8 18863 2 >> 89 2 123.515 . . . . . . . . . . . . 8 18863 2 >> 90 1 8.241 . . . . . . . . . . . . 8 18863 2 >> 90 2 123.098 . . . . . . . . . . . . 8 18863 2 >> 91 1 8.121 . . . . . . . . . . . . 8 18863 2 >> 91 2 123.058 . . . . . . . . . . . . 8 18863 2 >> 92 1 8.316 . . . . . . . . . . . . 8 18863 2 >> 92 2 122.868 . . . . . . . . . . . . 8 18863 2 >> 93 1 8.003 . . . . . . . . . . . . 8 18863 2 >> 93 2 122.685 . . . . . . . . . . . . 8 18863 2 >> 94 1 8.162 . . . . . . . . . . . . 8 18863 2 >> 94 2 122.649 . . . . . . . . . . . . 8 18863 2 >> 95 1 8.106 . . . . . . . . . . . . 8 18863 2 >> 95 2 122.617 . . . . . . . . . . . . 8 18863 2 >> 96 1 8.023 . . . . . . . . . . . . 8 18863 2 >> 96 2 122.364 . . . . . . . . . . . . 8 18863 2 >> 97 1 7.821 . . . . . . . . . . . . 8 18863 2 >> 97 2 122.372 . . . . . . . . . . . . 8 18863 2 >> 98 1 7.910 . . . . . . . . . . . . 8 18863 2 >> 98 2 121.719 . . . . . . . . . . . . 8 18863 2 >> 99 1 8.164 . . . . . . . . . . . . 8 18863 2 >> 99 2 121.559 . . . . . . . . . . . . 8 18863 2 >> 100 1 7.860 . . . . . . . . . . . . 8 18863 2 >> 100 2 121.557 . . . . . . . . . . . . 8 18863 2 >> 101 1 8.543 . . . . . . . . . . . . 8 18863 2 >> 101 2 121.453 . . . . . . . . . . . . 8 18863 2 >> 102 1 8.273 . . . . . . . . . . . . 8 18863 2 >> 102 2 121.260 . . . . . . . . . . . . 8 18863 2 >> 103 1 8.156 . . . . . . . . . . . . 8 18863 2 >> 103 2 121.101 . . . . . . . . . . . . 8 18863 2 >> 104 1 8.135 . . . . . . . . . . . . 8 18863 2 >> 104 2 121.070 . . . . . . . . . . . . 8 18863 2 >> 105 1 7.957 . . . . . . . . . . . . 8 18863 2 >> 105 2 121.022 . . . . . . . . . . . . 8 18863 2 >> 106 1 8.306 . . . . . . . . . . . . 8 18863 2 >> 106 2 120.951 . . . . . . . . . . . . 8 18863 2 >> 107 1 8.584 . . . . . . . . . . . . 8 18863 2 >> 107 2 120.934 . . . . . . . . . . . . 8 18863 2 >> 108 1 8.799 . . . . . . . . . . . . 8 18863 2 >> 108 2 120.754 . . . . . . . . . . . . 8 18863 2 >> 109 1 8.056 . . . . . . . . . . . . 8 18863 2 >> 109 2 120.616 . . . . . . . . . . . . 8 18863 2 >> 110 1 8.394 . . . . . . . . . . . . 8 18863 2 >> 110 2 120.610 . . . . . . . . . . . . 8 18863 2 >> 111 1 8.210 . . . . . . . . . . . . 8 18863 2 >> 111 2 120.614 . . . . . . . . . . . . 8 18863 2 >> 112 1 8.248 . . . . . . . . . . . . 8 18863 2 >> 112 2 120.500 . . . . . . . . . . . . 8 18863 2 >> 113 1 8.345 . . . . . . . . . . . . 8 18863 2 >> 113 2 120.446 . . . . . . . . . . . . 8 18863 2 >> 114 1 8.505 . . . . . . . . . . . . 8 18863 2 >> 114 2 120.404 . . . . . . . . . . . . 8 18863 2 >> 115 1 8.287 . . . . . . . . . . . . 8 18863 2 >> 115 2 120.389 . . . . . . . . . . . . 8 18863 2 >> 116 1 8.027 . . . . . . . . . . . . 8 18863 2 >> 116 2 120.254 . . . . . . . . . . . . 8 18863 2 >> 117 1 7.781 . . . . . . . . . . . . 8 18863 2 >> 117 2 120.283 . . . . . . . . . . . . 8 18863 2 >> 118 1 7.875 . . . . . . . . . . . . 8 18863 2 >> 118 2 120.228 . . . . . . . . . . . . 8 18863 2 >> 119 1 8.182 . . . . . . . . . . . . 8 18863 2 >> 119 2 120.125 . . . . . . . . . . . . 8 18863 2 >> 120 1 8.531 . . . . . . . . . . . . 8 18863 2 >> 120 2 119.999 . . . . . . . . . . . . 8 18863 2 >> 121 1 7.706 . . . . . . . . . . . . 8 18863 2 >> 121 2 119.782 . . . . . . . . . . . . 8 18863 2 >> 122 1 7.634 . . . . . . . . . . . . 8 18863 2 >> 122 2 119.802 . . . . . . . . . . . . 8 18863 2 >> 123 1 7.819 . . . . . . . . . . . . 8 18863 2 >> 123 2 119.749 . . . . . . . . . . . . 8 18863 2 >> 124 1 8.084 . . . . . . . . . . . . 8 18863 2 >> 124 2 119.725 . . . . . . . . . . . . 8 18863 2 >> 125 1 8.231 . . . . . . . . . . . . 8 18863 2 >> 125 2 119.656 . . . . . . . . . . . . 8 18863 2 >> 126 1 8.474 . . . . . . . . . . . . 8 18863 2 >> 126 2 119.635 . . . . . . . . . . . . 8 18863 2 >> 127 1 8.181 . . . . . . . . . . . . 8 18863 2 >> 127 2 119.509 . . . . . . . . . . . . 8 18863 2 >> 128 1 8.078 . . . . . . . . . . . . 8 18863 2 >> 128 2 119.491 . . . . . . . . . . . . 8 18863 2 >> 129 1 7.964 . . . . . . . . . . . . 8 18863 2 >> 129 2 119.519 . . . . . . . . . . . . 8 18863 2 >> 130 1 7.515 . . . . . . . . . . . . 8 18863 2 >> 130 2 119.399 . . . . . . . . . . . . 8 18863 2 >> 131 1 7.620 . . . . . . . . . . . . 8 18863 2 >> 131 2 119.261 . . . . . . . . . . . . 8 18863 2 >> 132 1 7.640 . . . . . . . . . . . . 8 18863 2 >> 132 2 119.095 . . . . . . . . . . . . 8 18863 2 >> 133 1 8.022 . . . . . . . . . . . . 8 18863 2 >> 133 2 118.732 . . . . . . . . . . . . 8 18863 2 >> 134 1 8.391 . . . . . . . . . . . . 8 18863 2 >> 134 2 118.559 . . . . . . . . . . . . 8 18863 2 >> 135 1 7.822 . . . . . . . . . . . . 8 18863 2 >> 135 2 118.413 . . . . . . . . . . . . 8 18863 2 >> 136 1 7.488 . . . . . . . . . . . . 8 18863 2 >> 136 2 118.248 . . . . . . . . . . . . 8 18863 2 >> 137 1 8.399 . . . . . . . . . . . . 8 18863 2 >> 137 2 117.986 . . . . . . . . . . . . 8 18863 2 >> 138 1 7.829 . . . . . . . . . . . . 8 18863 2 >> 138 2 117.993 . . . . . . . . . . . . 8 18863 2 >> 139 1 7.585 . . . . . . . . . . . . 8 18863 2 >> 139 2 117.955 . . . . . . . . . . . . 8 18863 2 >> 140 1 7.971 . . . . . . . . . . . . 8 18863 2 >> 140 2 117.847 . . . . . . . . . . . . 8 18863 2 >> 141 1 7.697 . . . . . . . . . . . . 8 18863 2 >> 141 2 117.846 . . . . . . . . . . . . 8 18863 2 >> 142 1 7.780 . . . . . . . . . . . . 8 18863 2 >> 142 2 117.780 . . . . . . . . . . . . 8 18863 2 >> 143 1 7.897 . . . . . . . . . . . . 8 18863 2 >> 143 2 117.492 . . . . . . . . . . . . 8 18863 2 >> 144 1 7.677 . . . . . . . . . . . . 8 18863 2 >> 144 2 117.311 . . . . . . . . . . . . 8 18863 2 >> 145 1 7.882 . . . . . . . . . . . . 8 18863 2 >> 145 2 117.236 . . . . . . . . . . . . 8 18863 2 >> 146 1 7.746 . . . . . . . . . . . . 8 18863 2 >> 146 2 117.170 . . . . . . . . . . . . 8 18863 2 >> 147 1 7.929 . . . . . . . . . . . . 8 18863 2 >> 147 2 116.922 . . . . . . . . . . . . 8 18863 2 >> 148 1 7.983 . . . . . . . . . . . . 8 18863 2 >> 148 2 116.736 . . . . . . . . . . . . 8 18863 2 >> 149 1 7.884 . . . . . . . . . . . . 8 18863 2 >> 149 2 116.664 . . . . . . . . . . . . 8 18863 2 >> 150 1 8.394 . . . . . . . . . . . . 8 18863 2 >> 150 2 116.101 . . . . . . . . . . . . 8 18863 2 >> 151 1 7.061 . . . . . . . . . . . . 8 18863 2 >> 151 2 116.087 . . . . . . . . . . . . 8 18863 2 >> 152 1 8.161 . . . . . . . . . . . . 8 18863 2 >> 152 2 115.944 . . . . . . . . . . . . 8 18863 2 >> 153 1 8.120 . . . . . . . . . . . . 8 18863 2 >> 153 2 115.309 . . . . . . . . . . . . 8 18863 2 >> 154 1 8.153 . . . . . . . . . . . . 8 18863 2 >> 154 2 114.826 . . . . . . . . . . . . 8 18863 2 >> 155 1 7.575 . . . . . . . . . . . . 8 18863 2 >> 155 2 114.008 . . . . . . . . . . . . 8 18863 2 >> 156 1 8.605 . . . . . . . . . . . . 8 18863 2 >> 156 2 110.439 . . . . . . . . . . . . 8 18863 2 >> 157 1 7.524 . . . . . . . . . . . . 8 18863 2 >> 157 2 108.892 . . . . . . . . . . . . 8 18863 2 >> 158 1 6.742 . . . . . . . . . . . . 8 18863 2 >> 158 2 108.889 . . . . . . . . . . . . 8 18863 2 >> 159 1 7.533 . . . . . . . . . . . . 8 18863 2 >> 159 2 108.349 . . . . . . . . . . . . 8 18863 2 >> 160 1 6.725 . . . . . . . . . . . . 8 18863 2 >> 160 2 108.347 . . . . . . . . . . . . 8 18863 2 >> 161 1 8.635 . . . . . . . . . . . . 8 18863 2 >> 161 2 107.489 . . . . . . . . . . . . 8 18863 2 >> 162 1 8.057 . . . . . . . . . . . . 8 18863 2 >> 162 2 107.303 . . . . . . . . . . . . 8 18863 2 >> 163 1 7.927 . . . . . . . . . . . . 8 18863 2 >> 163 2 106.521 . . . . . . . . . . . . 8 18863 2 >> 164 1 8.026 . . . . . . . . . . . . 8 18863 2 >> 164 2 106.116 . . . . . . . . . . . . 8 18863 2 >> 165 1 8.222 . . . . . . . . . . . . 8 18863 2 >> 165 2 105.485 . . . . . . . . . . . . 8 18863 2 >> 166 1 8.078 . . . . . . . . . . . . 8 18863 2 >> 166 2 120.547 . . . . . . . . . . . . 8 18863 2 >> 167 1 8.097 . . . . . . . . . . . . 8 18863 2 >> 167 2 122.443 . . . . . . . . . . . . 8 18863 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 . . 10.142 . 1 1 1 67 TRP HE1 . . . . . . 1 . 18863 2 >> 1 2 . 1 . . 128.811 . 1 1 1 67 TRP NE1 . . . . . . 2 . 18863 2 >> 2 1 . 1 . . 9.771 . 1 1 1 49 TRP HE1 . . . . . . 3 . 18863 2 >> 2 2 . 1 . . 128.443 . 1 1 1 49 TRP NE1 . . . . . . 4 . 18863 2 >> 3 1 . 1 . . 8.341 . 1 1 1 35 ALA H . . . . . . 5 . 18863 2 >> 3 2 . 1 . . 125.008 . 1 1 1 35 ALA N . . . . . . 6 . 18863 2 >> 4 1 . 1 . . 7.935 . 1 1 1 59 ALA H . . . . . . 7 . 18863 2 >> 4 2 . 1 . . 123.891 . 1 1 1 59 ALA N . . . . . . 8 . 18863 2 >> 5 1 . 1 . . 8.307 . 1 1 1 33 ALA H . . . . . . 9 . 18863 2 >> 5 2 . 1 . . 123.691 . 1 1 1 33 ALA N . . . . . . 10 . 18863 2 >> 6 1 . 1 . . 8.542 . 1 1 1 29 ALA H . . . . . . 11 . 18863 2 >> 6 2 . 1 . . 123.515 . 1 1 1 29 ALA N . . . . . . 12 . 18863 2 >> 7 1 . 1 . . 8.241 . 1 1 1 38 ILE H . . . . . . 13 . 18863 2 >> 7 2 . 1 . . 123.098 . 1 1 1 38 ILE N . . . . . . 14 . 18863 2 >> 8 1 . 1 . . 8.121 . 1 1 1 32 VAL H . . . . . . 15 . 18863 2 >> 8 2 . 1 . . 123.058 . 1 1 1 32 VAL N . . . . . . 16 . 18863 2 >> 9 1 . 1 . . 8.316 . 1 1 1 20 ALA H . . . . . . 17 . 18863 2 >> 9 2 . 1 . . 122.868 . 1 1 1 20 ALA N . . . . . . 18 . 18863 2 >> 10 1 . 1 . . 8.003 . 1 1 1 67 TRP H . . . . . . 19 . 18863 2 >> 10 2 . 1 . . 122.685 . 1 1 1 67 TRP N . . . . . . 20 . 18863 2 >> 11 1 . 1 . . 8.162 . 1 1 1 80 ALA H . . . . . . 21 . 18863 2 >> 11 2 . 1 . . 122.649 . 1 1 1 80 ALA N . . . . . . 22 . 18863 2 >> 12 1 . 1 . . 8.106 . 1 1 1 47 ALA H . . . . . . 23 . 18863 2 >> 12 2 . 1 . . 122.617 . 1 1 1 47 ALA N . . . . . . 24 . 18863 2 >> 13 1 . 1 . . 8.023 . 1 1 1 9 ALA H . . . . . . 25 . 18863 2 >> 13 2 . 1 . . 122.364 . 1 1 1 9 ALA N . . . . . . 26 . 18863 2 >> 14 1 . 1 . . 7.821 . 1 1 1 56 ALA H . . . . . . 27 . 18863 2 >> 14 2 . 1 . . 122.372 . 1 1 1 56 ALA N . . . . . . 28 . 18863 2 >> 15 1 . 1 . . 7.910 . 1 1 1 82 ALA H . . . . . . 29 . 18863 2 >> 15 2 . 1 . . 121.719 . 1 1 1 82 ALA N . . . . . . 30 . 18863 2 >> 16 1 . 1 . . 8.164 . 1 1 1 46 CYS H . . . . . . 31 . 18863 2 >> 16 2 . 1 . . 121.559 . 1 1 1 46 CYS N . . . . . . 32 . 18863 2 >> 17 1 . 1 . . 7.860 . 1 1 1 62 ALA H . . . . . . 33 . 18863 2 >> 17 2 . 1 . . 121.557 . 1 1 1 62 ALA N . . . . . . 34 . 18863 2 >> 18 1 . 1 . . 8.543 . 1 . . . . . . . . . . . 35 . 18863 2 >> 18 2 . 1 . . 121.453 . 1 . . . . . . . . . . . 36 . 18863 2 >> 19 1 . 1 . . 8.273 . 1 1 1 3 LEU H . . . . . . 37 . 18863 2 >> 19 2 . 1 . . 121.260 . 1 1 1 3 LEU N . . . . . . 38 . 18863 2 >> 20 1 . 1 . . 8.156 . 1 1 1 44 PHE H . . . . . . 39 . 18863 2 >> 20 2 . 1 . . 121.101 . 1 1 1 44 PHE N . . . . . . 40 . 18863 2 >> 21 1 . 1 . . 8.135 . 1 1 1 25 VAL H . . . . . . 41 . 18863 2 >> 21 2 . 1 . . 121.070 . 1 1 1 25 VAL N . . . . . . 42 . 18863 2 >> 22 1 . 1 . . 7.957 . 1 1 1 24 LEU H . . . . . . 43 . 18863 2 >> 22 2 . 1 . . 121.022 . 1 1 1 24 LEU N . . . . . . 44 . 18863 2 >> 23 1 . 1 . . 8.306 . 1 1 1 27 LEU H . . . . . . 45 . 18863 2 >> 23 2 . 1 . . 120.951 . 1 1 1 27 LEU N . . . . . . 46 . 18863 2 >> 24 1 . 1 . . 8.584 . 1 1 1 30 ALA H . . . . . . 47 . 18863 2 >> 24 2 . 1 . . 120.934 . 1 1 1 30 ALA N . . . . . . 48 . 18863 2 >> 25 1 . 1 . . 8.799 . 1 1 1 18 ASP H . . . . . . 49 . 18863 2 >> 25 2 . 1 . . 120.754 . 1 1 1 18 ASP N . . . . . . 50 . 18863 2 >> 26 1 . 2 . . 8.056 . 1 1 1 17 ASP H . . . . . . 228 . 18863 2 >> 26 2 . 2 . . 120.616 . 1 1 1 17 ASP N . . . . . . 229 . 18863 2 >> 27 1 . 1 . . 8.394 . 1 . . . . . . . . . . . 53 . 18863 2 >> 27 2 . 1 . . 120.610 . 1 . . . . . . . . . . . 54 . 18863 2 >> 28 1 . 1 . . 8.210 . 1 1 1 50 TYR H . . . . . . 55 . 18863 2 >> 28 2 . 1 . . 120.614 . 1 1 1 50 TYR N . . . . . . 56 . 18863 2 >> 29 1 . 1 . . 8.248 . 1 1 1 10 ALA H . . . . . . 57 . 18863 2 >> 29 2 . 1 . . 120.500 . 1 1 1 10 ALA N . . . . . . 58 . 18863 2 >> 30 1 . 1 . . 8.345 . 1 1 1 42 LEU H . . . . . . 59 . 18863 2 >> 30 2 . 1 . . 120.446 . 1 1 1 42 LEU N . . . . . . 60 . 18863 2 >> 31 1 . 1 . . 8.505 . 1 1 1 28 ASN H . . . . . . 61 . 18863 2 >> 31 2 . 1 . . 120.404 . 1 1 1 28 ASN N . . . . . . 62 . 18863 2 >> 32 1 . 1 . . 8.287 . 1 1 1 43 VAL H . . . . . . 63 . 18863 2 >> 32 2 . 1 . . 120.389 . 1 1 1 43 VAL N . . . . . . 64 . 18863 2 >> 33 1 . 1 . . 8.027 . 1 1 1 60 ALA H . . . . . . 65 . 18863 2 >> 33 2 . 1 . . 120.254 . 1 1 1 60 ALA N . . . . . . 66 . 18863 2 >> 34 1 . 1 . . 7.781 . 1 1 1 84 ALA H . . . . . . 67 . 18863 2 >> 34 2 . 1 . . 120.283 . 1 1 1 84 ALA N . . . . . . 68 . 18863 2 >> 35 1 . 1 . . 7.875 . 1 1 1 83 ALA H . . . . . . 69 . 18863 2 >> 35 2 . 1 . . 120.228 . 1 1 1 83 ALA N . . . . . . 70 . 18863 2 >> 36 1 . 1 . . 8.182 . 1 1 1 12 ASP H . . . . . . 71 . 18863 2 >> 36 2 . 1 . . 120.125 . 1 1 1 12 ASP N . . . . . . 72 . 18863 2 >> 37 1 . 1 . . 8.531 . 1 . . . . . . . . . . . 73 . 18863 2 >> 37 2 . 1 . . 119.999 . 1 . . . . . . . . . . . 74 . 18863 2 >> 38 1 . 1 . . 7.706 . 1 1 1 85 ALA H . . . . . . 75 . 18863 2 >> 38 2 . 1 . . 119.782 . 1 1 1 85 ALA N . . . . . . 76 . 18863 2 >> 39 1 . 1 . . 7.634 . 1 1 1 75 ALA H . . . . . . 77 . 18863 2 >> 39 2 . 1 . . 119.802 . 1 1 1 75 ALA N . . . . . . 78 . 18863 2 >> 40 1 . 1 . . 7.819 . 1 1 1 70 LEU H . . . . . . 79 . 18863 2 >> 40 2 . 1 . . 119.749 . 1 1 1 70 LEU N . . . . . . 80 . 18863 2 >> 41 1 . 1 . . 8.084 . 1 1 1 49 TRP H . . . . . . 81 . 18863 2 >> 41 2 . 1 . . 119.725 . 1 1 1 49 TRP N . . . . . . 82 . 18863 2 >> 42 1 . 1 . . 8.231 . 1 1 1 51 ILE H . . . . . . 83 . 18863 2 >> 42 2 . 1 . . 119.656 . 1 1 1 51 ILE N . . . . . . 84 . 18863 2 >> 43 1 . 1 . . 8.474 . 1 1 1 45 PHE H . . . . . . 85 . 18863 2 >> 43 2 . 1 . . 119.635 . 1 1 1 45 PHE N . . . . . . 86 . 18863 2 >> 44 1 . 1 . . 8.181 . 1 1 1 22 GLU H . . . . . . 87 . 18863 2 >> 44 2 . 1 . . 119.509 . 1 1 1 22 GLU N . . . . . . 88 . 18863 2 >> 45 1 . 1 . . 8.078 . 1 1 1 52 LYS H . . . . . . 89 . 18863 2 >> 45 2 . 1 . . 119.491 . 1 1 1 52 LYS N . . . . . . 90 . 18863 2 >> 46 1 . 1 . . 7.964 . 1 1 1 48 ALA H . . . . . . 91 . 18863 2 >> 46 2 . 1 . . 119.519 . 1 1 1 48 ALA N . . . . . . 92 . 18863 2 >> 47 1 . 1 . . 7.515 . 1 1 1 72 LEU H . . . . . . 93 . 18863 2 >> 47 2 . 1 . . 119.399 . 1 1 1 72 LEU N . . . . . . 94 . 18863 2 >> 48 1 . 1 . . 7.620 . 1 1 1 8 PHE H . . . . . . 95 . 18863 2 >> 48 2 . 1 . . 119.261 . 1 1 1 8 PHE N . . . . . . 96 . 18863 2 >> 49 1 . 1 . . 7.640 . 1 1 1 76 LEU H . . . . . . 97 . 18863 2 >> 49 2 . 1 . . 119.095 . 1 1 1 76 LEU N . . . . . . 98 . 18863 2 >> 50 1 . 1 . . 8.022 . 1 1 1 21 LEU H . . . . . . 99 . 18863 2 >> 50 2 . 1 . . 118.732 . 1 1 1 21 LEU N . . . . . . 100 . 18863 2 >> 51 1 . 1 . . 8.391 . 1 1 1 23 ASN H . . . . . . 101 . 18863 2 >> 51 2 . 1 . . 118.559 . 1 1 1 23 ASN N . . . . . . 102 . 18863 2 >> 52 1 . 1 . . 7.822 . 1 1 1 73 LEU H . . . . . . 103 . 18863 2 >> 52 2 . 1 . . 118.413 . 1 1 1 73 LEU N . . . . . . 104 . 18863 2 >> 53 1 . 1 . . 7.488 . 1 1 1 54 ARG H . . . . . . 105 . 18863 2 >> 53 2 . 1 . . 118.248 . 1 1 1 54 ARG N . . . . . . 106 . 18863 2 >> 54 1 . 1 . . 8.399 . 1 1 1 19 LYS H . . . . . . 107 . 18863 2 >> 54 2 . 1 . . 117.986 . 1 1 1 19 LYS N . . . . . . 108 . 18863 2 >> 55 1 . 1 . . 7.829 . 1 1 1 71 LEU H . . . . . . 109 . 18863 2 >> 55 2 . 1 . . 117.993 . 1 1 1 71 LEU N . . . . . . 110 . 18863 2 >> 56 1 . 1 . . 7.585 . 1 1 1 55 LEU H . . . . . . 111 . 18863 2 >> 56 2 . 1 . . 117.955 . 1 1 1 55 LEU N . . . . . . 112 . 18863 2 >> 57 1 . 1 . . 7.971 . 1 1 1 81 TYR H . . . . . . 113 . 18863 2 >> 57 2 . 1 . . 117.847 . 1 1 1 81 TYR N . . . . . . 114 . 18863 2 >> 58 1 . 1 . . 7.697 . 1 1 1 79 ARG H . . . . . . 115 . 18863 2 >> 58 2 . 1 . . 117.846 . 1 1 1 79 ARG N . . . . . . 116 . 18863 2 >> 59 1 . 1 . . 7.780 . 1 1 1 11 MET H . . . . . . 117 . 18863 2 >> 59 2 . 1 . . 117.780 . 1 1 1 11 MET N . . . . . . 118 . 18863 2 >> 60 1 . 1 . . 7.897 . 1 1 1 61 TYR H . . . . . . 119 . 18863 2 >> 60 2 . 1 . . 117.492 . 1 1 1 61 TYR N . . . . . . 120 . 18863 2 >> 61 1 . 1 . . 7.677 . 1 1 1 66 VAL H . . . . . . 121 . 18863 2 >> 61 2 . 1 . . 117.311 . 1 1 1 66 VAL N . . . . . . 122 . 18863 2 >> 62 1 . 1 . . 7.882 . 1 . . . . . . . . . . . 123 . 18863 2 >> 62 2 . 1 . . 117.236 . 1 . . . . . . . . . . . 124 . 18863 2 >> 63 1 . 1 . . 7.746 . 1 1 1 74 LEU H . . . . . . 125 . 18863 2 >> 63 2 . 1 . . 117.170 . 1 1 1 74 LEU N . . . . . . 126 . 18863 2 >> 64 1 . 1 . . 7.929 . 1 1 1 7 GLU H . . . . . . 127 . 18863 2 >> 64 2 . 1 . . 116.922 . 1 1 1 7 GLU N . . . . . . 128 . 18863 2 >> 65 1 . 1 . . 7.983 . 1 1 1 64 TYR H . . . . . . 129 . 18863 2 >> 65 2 . 1 . . 116.736 . 1 1 1 64 TYR N . . . . . . 130 . 18863 2 >> 66 1 . 1 . . 7.884 . 1 1 1 63 PHE H . . . . . . 131 . 18863 2 >> 66 2 . 1 . . 116.664 . 1 1 1 63 PHE N . . . . . . 132 . 18863 2 >> 67 1 . 1 . . 8.394 . 1 1 1 36 HIS H . . . . . . 133 . 18863 2 >> 67 2 . 1 . . 116.101 . 1 1 1 36 HIS N . . . . . . 134 . 18863 2 >> 68 1 . 1 . . 7.061 . 1 1 1 69 LEU H . . . . . . 135 . 18863 2 >> 68 2 . 1 . . 116.087 . 1 1 1 69 LEU N . . . . . . 136 . 18863 2 >> 69 1 . 1 . . 8.161 . 1 1 1 31 SER H . . . . . . 137 . 18863 2 >> 69 2 . 1 . . 115.944 . 1 1 1 31 SER N . . . . . . 138 . 18863 2 >> 70 1 . 1 . . 8.120 . 1 1 1 5 SER H . . . . . . 139 . 18863 2 >> 70 2 . 1 . . 115.309 . 1 1 1 5 SER N . . . . . . 140 . 18863 2 >> 71 1 . 1 . . 8.153 . 1 1 1 40 SER H . . . . . . 141 . 18863 2 >> 71 2 . 1 . . 114.826 . 1 1 1 40 SER N . . . . . . 142 . 18863 2 >> 72 1 . 1 . . 7.575 . 1 1 1 86 SER H . . . . . . 143 . 18863 2 >> 72 2 . 1 . . 114.008 . 1 1 1 86 SER N . . . . . . 144 . 18863 2 >> 73 1 . 1 . . 8.605 . 1 1 1 37 GLY H . . . . . . 145 . 18863 2 >> 73 2 . 1 . . 110.439 . 1 1 1 37 GLY N . . . . . . 146 . 18863 2 >> 74 1 . 1 . . 7.524 . 1 1 1 28 ASN HD21 . . . . . . 147 . 18863 2 >> 74 2 . 1 . . 108.892 . 1 1 1 28 ASN ND2 . . . . . . 148 . 18863 2 >> 75 1 . 1 . . 6.742 . 1 1 1 28 ASN HD22 . . . . . . 149 . 18863 2 >> 75 2 . 2 . . 108.889 . 1 1 1 28 ASN ND2 . . . . . . 148 . 18863 2 >> 76 1 . 1 . . 7.533 . 1 1 1 23 ASN HD21 . . . . . . 151 . 18863 2 >> 76 2 . 1 . . 108.349 . 1 1 1 23 ASN ND2 . . . . . . 152 . 18863 2 >> 77 1 . 1 . . 6.725 . 1 1 1 23 ASN HD22 . . . . . . 153 . 18863 2 >> 77 2 . 1 . . 108.347 . 1 . . . . . . . . . . . 154 . 18863 2 >> 78 1 . 1 . . 8.635 . 1 1 1 34 GLY H . . . . . . 155 . 18863 2 >> 78 2 . 1 . . 107.489 . 1 1 1 34 GLY N . . . . . . 156 . 18863 2 >> 79 1 . 1 . . 8.057 . 1 1 1 4 GLY H . . . . . . 157 . 18863 2 >> 79 2 . 1 . . 107.303 . 1 1 1 4 GLY N . . . . . . 158 . 18863 2 >> 80 1 . 1 . . 7.927 . 1 1 1 65 GLY H . . . . . . 159 . 18863 2 >> 80 2 . 1 . . 106.521 . 1 1 1 65 GLY N . . . . . . 160 . 18863 2 >> 81 1 . 1 . . 8.026 . 1 . . . . . . . . . . . 161 . 18863 2 >> 81 2 . 1 . . 106.116 . 1 1 1 53 GLY N . . . . . . 162 . 18863 2 >> 82 1 . 1 . . 8.222 . 1 1 1 58 GLY H . . . . . . 163 . 18863 2 >> 82 2 . 1 . . 105.485 . 1 1 1 58 GLY N . . . . . . 164 . 18863 2 >> 83 1 . 1 . . 8.078 . 1 1 1 39 LEU H . . . . . . 51 . 18863 2 >> 83 2 . 1 . . 120.547 . 1 1 1 39 LEU N . . . . . . 52 . 18863 2 >> 84 1 . 1 . . 10.142 . 1 1 1 67 TRP HE1 . . . . . . 1 . 18863 2 >> 84 2 . 1 . . 128.811 . 1 1 1 67 TRP NE1 . . . . . . 2 . 18863 2 >> 85 1 . 1 . . 9.771 . 1 1 1 49 TRP HE1 . . . . . . 3 . 18863 2 >> 85 2 . 1 . . 128.443 . 1 1 1 49 TRP NE1 . . . . . . 4 . 18863 2 >> 86 1 . 1 . . 8.341 . 1 1 1 35 ALA H . . . . . . 5 . 18863 2 >> 86 2 . 1 . . 125.008 . 1 1 1 35 ALA N . . . . . . 6 . 18863 2 >> 87 1 . 1 . . 7.935 . 1 1 1 59 ALA H . . . . . . 7 . 18863 2 >> 87 2 . 1 . . 123.891 . 1 1 1 59 ALA N . . . . . . 8 . 18863 2 >> 88 1 . 1 . . 8.307 . 1 1 1 33 ALA H . . . . . . 9 . 18863 2 >> 88 2 . 1 . . 123.691 . 1 1 1 33 ALA N . . . . . . 10 . 18863 2 >> 89 1 . 1 . . 8.542 . 1 1 1 29 ALA H . . . . . . 11 . 18863 2 >> 89 2 . 1 . . 123.515 . 1 1 1 29 ALA N . . . . . . 12 . 18863 2 >> 90 1 . 1 . . 8.241 . 1 1 1 38 ILE H . . . . . . 13 . 18863 2 >> 90 2 . 1 . . 123.098 . 1 1 1 38 ILE N . . . . . . 14 . 18863 2 >> 91 1 . 1 . . 8.121 . 1 1 1 32 VAL H . . . . . . 15 . 18863 2 >> 91 2 . 1 . . 123.058 . 1 1 1 32 VAL N . . . . . . 16 . 18863 2 >> 92 1 . 1 . . 8.316 . 1 1 1 20 ALA H . . . . . . 17 . 18863 2 >> 92 2 . 1 . . 122.868 . 1 1 1 20 ALA N . . . . . . 18 . 18863 2 >> 93 1 . 1 . . 8.003 . 1 1 1 67 TRP H . . . . . . 19 . 18863 2 >> 93 2 . 1 . . 122.685 . 1 1 1 67 TRP N . . . . . . 20 . 18863 2 >> 94 1 . 1 . . 8.162 . 1 1 1 80 ALA H . . . . . . 21 . 18863 2 >> 94 2 . 1 . . 122.649 . 1 1 1 80 ALA N . . . . . . 22 . 18863 2 >> 95 1 . 1 . . 8.106 . 1 1 1 47 ALA H . . . . . . 23 . 18863 2 >> 95 2 . 1 . . 122.617 . 1 1 1 47 ALA N . . . . . . 24 . 18863 2 >> 96 1 . 1 . . 8.023 . 1 1 1 9 ALA H . . . . . . 25 . 18863 2 >> 96 2 . 1 . . 122.364 . 1 1 1 9 ALA N . . . . . . 26 . 18863 2 >> 97 1 . 1 . . 7.821 . 1 1 1 56 ALA H . . . . . . 27 . 18863 2 >> 97 2 . 1 . . 122.372 . 1 1 1 56 ALA N . . . . . . 28 . 18863 2 >> 98 1 . 1 . . 7.910 . 1 1 1 82 ALA H . . . . . . 29 . 18863 2 >> 98 2 . 1 . . 121.719 . 1 1 1 82 ALA N . . . . . . 30 . 18863 2 >> 99 1 . 1 . . 8.164 . 1 1 1 46 CYS H . . . . . . 31 . 18863 2 >> 99 2 . 1 . . 121.559 . 1 1 1 46 CYS N . . . . . . 32 . 18863 2 >> 100 1 . 1 . . 7.860 . 1 1 1 62 ALA H . . . . . . 33 . 18863 2 >> 100 2 . 1 . . 121.557 . 1 1 1 62 ALA N . . . . . . 34 . 18863 2 >> 101 1 . 1 . . 8.543 . 1 . . . . . . . . . . . 35 . 18863 2 >> 101 2 . 1 . . 121.453 . 1 . . . . . . . . . . . 36 . 18863 2 >> 102 1 . 1 . . 8.273 . 1 1 1 3 LEU H . . . . . . 37 . 18863 2 >> 102 2 . 1 . . 121.260 . 1 1 1 3 LEU N . . . . . . 38 . 18863 2 >> 103 1 . 1 . . 8.156 . 1 1 1 44 PHE H . . . . . . 39 . 18863 2 >> 103 2 . 1 . . 121.101 . 1 1 1 44 PHE N . . . . . . 40 . 18863 2 >> 104 1 . 1 . . 8.135 . 1 1 1 25 VAL H . . . . . . 41 . 18863 2 >> 104 2 . 1 . . 121.070 . 1 1 1 25 VAL N . . . . . . 42 . 18863 2 >> 105 1 . 1 . . 7.957 . 1 1 1 24 LEU H . . . . . . 43 . 18863 2 >> 105 2 . 1 . . 121.022 . 1 1 1 24 LEU N . . . . . . 44 . 18863 2 >> 106 1 . 1 . . 8.306 . 1 1 1 27 LEU H . . . . . . 45 . 18863 2 >> 106 2 . 1 . . 120.951 . 1 1 1 27 LEU N . . . . . . 46 . 18863 2 >> 107 1 . 1 . . 8.584 . 1 1 1 30 ALA H . . . . . . 47 . 18863 2 >> 107 2 . 1 . . 120.934 . 1 1 1 30 ALA N . . . . . . 48 . 18863 2 >> 108 1 . 1 . . 8.799 . 1 1 1 18 ASP H . . . . . . 49 . 18863 2 >> 108 2 . 1 . . 120.754 . 1 1 1 18 ASP N . . . . . . 50 . 18863 2 >> 109 1 . 2 . . 8.056 . 1 1 1 17 ASP H . . . . . . 228 . 18863 2 >> 109 2 . 2 . . 120.616 . 1 1 1 17 ASP N . . . . . . 229 . 18863 2 >> 110 1 . 1 . . 8.394 . 1 . . . . . . . . . . . 53 . 18863 2 >> 110 2 . 1 . . 120.610 . 1 . . . . . . . . . . . 54 . 18863 2 >> 111 1 . 1 . . 8.210 . 1 1 1 50 TYR H . . . . . . 55 . 18863 2 >> 111 2 . 1 . . 120.614 . 1 1 1 50 TYR N . . . . . . 56 . 18863 2 >> 112 1 . 1 . . 8.248 . 1 1 1 10 ALA H . . . . . . 57 . 18863 2 >> 112 2 . 1 . . 120.500 . 1 1 1 10 ALA N . . . . . . 58 . 18863 2 >> 113 1 . 1 . . 8.345 . 1 1 1 42 LEU H . . . . . . 59 . 18863 2 >> 113 2 . 1 . . 120.446 . 1 1 1 42 LEU N . . . . . . 60 . 18863 2 >> 114 1 . 1 . . 8.505 . 1 1 1 28 ASN H . . . . . . 61 . 18863 2 >> 114 2 . 1 . . 120.404 . 1 1 1 28 ASN N . . . . . . 62 . 18863 2 >> 115 1 . 1 . . 8.287 . 1 1 1 43 VAL H . . . . . . 63 . 18863 2 >> 115 2 . 1 . . 120.389 . 1 1 1 43 VAL N . . . . . . 64 . 18863 2 >> 116 1 . 1 . . 8.027 . 1 1 1 60 ALA H . . . . . . 65 . 18863 2 >> 116 2 . 1 . . 120.254 . 1 1 1 60 ALA N . . . . . . 66 . 18863 2 >> 117 1 . 1 . . 7.781 . 1 1 1 84 ALA H . . . . . . 67 . 18863 2 >> 117 2 . 1 . . 120.283 . 1 1 1 84 ALA N . . . . . . 68 . 18863 2 >> 118 1 . 1 . . 7.875 . 1 1 1 83 ALA H . . . . . . 69 . 18863 2 >> 118 2 . 1 . . 120.228 . 1 1 1 83 ALA N . . . . . . 70 . 18863 2 >> 119 1 . 1 . . 8.182 . 1 1 1 12 ASP H . . . . . . 71 . 18863 2 >> 119 2 . 1 . . 120.125 . 1 1 1 12 ASP N . . . . . . 72 . 18863 2 >> 120 1 . 1 . . 8.531 . 1 . . . . . . . . . . . 73 . 18863 2 >> 120 2 . 1 . . 119.999 . 1 . . . . . . . . . . . 74 . 18863 2 >> 121 1 . 1 . . 7.706 . 1 1 1 85 ALA H . . . . . . 75 . 18863 2 >> 121 2 . 1 . . 119.782 . 1 1 1 85 ALA N . . . . . . 76 . 18863 2 >> 122 1 . 1 . . 7.634 . 1 1 1 75 ALA H . . . . . . 77 . 18863 2 >> 122 2 . 1 . . 119.802 . 1 1 1 75 ALA N . . . . . . 78 . 18863 2 >> 123 1 . 1 . . 7.819 . 1 1 1 70 LEU H . . . . . . 79 . 18863 2 >> 123 2 . 1 . . 119.749 . 1 1 1 70 LEU N . . . . . . 80 . 18863 2 >> 124 1 . 1 . . 8.084 . 1 1 1 49 TRP H . . . . . . 81 . 18863 2 >> 124 2 . 1 . . 119.725 . 1 1 1 49 TRP N . . . . . . 82 . 18863 2 >> 125 1 . 1 . . 8.231 . 1 1 1 51 ILE H . . . . . . 83 . 18863 2 >> 125 2 . 1 . . 119.656 . 1 1 1 51 ILE N . . . . . . 84 . 18863 2 >> 126 1 . 1 . . 8.474 . 1 1 1 45 PHE H . . . . . . 85 . 18863 2 >> 126 2 . 1 . . 119.635 . 1 1 1 45 PHE N . . . . . . 86 . 18863 2 >> 127 1 . 1 . . 8.181 . 1 1 1 22 GLU H . . . . . . 87 . 18863 2 >> 127 2 . 1 . . 119.509 . 1 1 1 22 GLU N . . . . . . 88 . 18863 2 >> 128 1 . 1 . . 8.078 . 1 1 1 52 LYS H . . . . . . 89 . 18863 2 >> 128 2 . 1 . . 119.491 . 1 1 1 52 LYS N . . . . . . 90 . 18863 2 >> 129 1 . 1 . . 7.964 . 1 1 1 48 ALA H . . . . . . 91 . 18863 2 >> 129 2 . 1 . . 119.519 . 1 1 1 48 ALA N . . . . . . 92 . 18863 2 >> 130 1 . 1 . . 7.515 . 1 1 1 72 LEU H . . . . . . 93 . 18863 2 >> 130 2 . 1 . . 119.399 . 1 1 1 72 LEU N . . . . . . 94 . 18863 2 >> 131 1 . 1 . . 7.620 . 1 1 1 8 PHE H . . . . . . 95 . 18863 2 >> 131 2 . 1 . . 119.261 . 1 1 1 8 PHE N . . . . . . 96 . 18863 2 >> 132 1 . 1 . . 7.640 . 1 1 1 76 LEU H . . . . . . 97 . 18863 2 >> 132 2 . 1 . . 119.095 . 1 1 1 76 LEU N . . . . . . 98 . 18863 2 >> 133 1 . 1 . . 8.022 . 1 1 1 21 LEU H . . . . . . 99 . 18863 2 >> 133 2 . 1 . . 118.732 . 1 1 1 21 LEU N . . . . . . 100 . 18863 2 >> 134 1 . 1 . . 8.391 . 1 1 1 23 ASN H . . . . . . 101 . 18863 2 >> 134 2 . 1 . . 118.559 . 1 1 1 23 ASN N . . . . . . 102 . 18863 2 >> 135 1 . 1 . . 7.822 . 1 1 1 73 LEU H . . . . . . 103 . 18863 2 >> 135 2 . 1 . . 118.413 . 1 1 1 73 LEU N . . . . . . 104 . 18863 2 >> 136 1 . 1 . . 7.488 . 1 1 1 54 ARG H . . . . . . 105 . 18863 2 >> 136 2 . 1 . . 118.248 . 1 1 1 54 ARG N . . . . . . 106 . 18863 2 >> 137 1 . 1 . . 8.399 . 1 1 1 19 LYS H . . . . . . 107 . 18863 2 >> 137 2 . 1 . . 117.986 . 1 1 1 19 LYS N . . . . . . 108 . 18863 2 >> 138 1 . 1 . . 7.829 . 1 1 1 71 LEU H . . . . . . 109 . 18863 2 >> 138 2 . 1 . . 117.993 . 1 1 1 71 LEU N . . . . . . 110 . 18863 2 >> 139 1 . 1 . . 7.585 . 1 1 1 55 LEU H . . . . . . 111 . 18863 2 >> 139 2 . 1 . . 117.955 . 1 1 1 55 LEU N . . . . . . 112 . 18863 2 >> 140 1 . 1 . . 7.971 . 1 1 1 81 TYR H . . . . . . 113 . 18863 2 >> 140 2 . 1 . . 117.847 . 1 1 1 81 TYR N . . . . . . 114 . 18863 2 >> 141 1 . 1 . . 7.697 . 1 1 1 79 ARG H . . . . . . 115 . 18863 2 >> 141 2 . 1 . . 117.846 . 1 1 1 79 ARG N . . . . . . 116 . 18863 2 >> 142 1 . 1 . . 7.780 . 1 1 1 11 MET H . . . . . . 117 . 18863 2 >> 142 2 . 1 . . 117.780 . 1 1 1 11 MET N . . . . . . 118 . 18863 2 >> 143 1 . 1 . . 7.897 . 1 1 1 61 TYR H . . . . . . 119 . 18863 2 >> 143 2 . 1 . . 117.492 . 1 1 1 61 TYR N . . . . . . 120 . 18863 2 >> 144 1 . 1 . . 7.677 . 1 1 1 66 VAL H . . . . . . 121 . 18863 2 >> 144 2 . 1 . . 117.311 . 1 1 1 66 VAL N . . . . . . 122 . 18863 2 >> 145 1 . 1 . . 7.882 . 1 . . . . . . . . . . . 123 . 18863 2 >> 145 2 . 1 . . 117.236 . 1 . . . . . . . . . . . 124 . 18863 2 >> 146 1 . 1 . . 7.746 . 1 1 1 74 LEU H . . . . . . 125 . 18863 2 >> 146 2 . 1 . . 117.170 . 1 1 1 74 LEU N . . . . . . 126 . 18863 2 >> 147 1 . 1 . . 7.929 . 1 1 1 7 GLU H . . . . . . 127 . 18863 2 >> 147 2 . 1 . . 116.922 . 1 1 1 7 GLU N . . . . . . 128 . 18863 2 >> 148 1 . 1 . . 7.983 . 1 1 1 64 TYR H . . . . . . 129 . 18863 2 >> 148 2 . 1 . . 116.736 . 1 1 1 64 TYR N . . . . . . 130 . 18863 2 >> 149 1 . 1 . . 7.884 . 1 1 1 63 PHE H . . . . . . 131 . 18863 2 >> 149 2 . 1 . . 116.664 . 1 1 1 63 PHE N . . . . . . 132 . 18863 2 >> 150 1 . 1 . . 8.394 . 1 1 1 36 HIS H . . . . . . 133 . 18863 2 >> 150 2 . 1 . . 116.101 . 1 1 1 36 HIS N . . . . . . 134 . 18863 2 >> 151 1 . 1 . . 7.061 . 1 1 1 69 LEU H . . . . . . 135 . 18863 2 >> 151 2 . 1 . . 116.087 . 1 1 1 69 LEU N . . . . . . 136 . 18863 2 >> 152 1 . 1 . . 8.161 . 1 1 1 31 SER H . . . . . . 137 . 18863 2 >> 152 2 . 1 . . 115.944 . 1 1 1 31 SER N . . . . . . 138 . 18863 2 >> 153 1 . 1 . . 8.120 . 1 1 1 5 SER H . . . . . . 139 . 18863 2 >> 153 2 . 1 . . 115.309 . 1 1 1 5 SER N . . . . . . 140 . 18863 2 >> 154 1 . 1 . . 8.153 . 1 1 1 40 SER H . . . . . . 141 . 18863 2 >> 154 2 . 1 . . 114.826 . 1 1 1 40 SER N . . . . . . 142 . 18863 2 >> 155 1 . 1 . . 7.575 . 1 1 1 86 SER H . . . . . . 143 . 18863 2 >> 155 2 . 1 . . 114.008 . 1 1 1 86 SER N . . . . . . 144 . 18863 2 >> 156 1 . 1 . . 8.605 . 1 1 1 37 GLY H . . . . . . 145 . 18863 2 >> 156 2 . 1 . . 110.439 . 1 1 1 37 GLY N . . . . . . 146 . 18863 2 >> 157 1 . 1 . . 7.524 . 1 1 1 28 ASN HD21 . . . . . . 147 . 18863 2 >> 157 2 . 1 . . 108.892 . 1 1 1 28 ASN ND2 . . . . . . 148 . 18863 2 >> 158 1 . 1 . . 6.742 . 1 1 1 28 ASN HD22 . . . . . . 149 . 18863 2 >> 158 2 . 1 . . 108.889 . 1 . . . . . . . . . . . 150 . 18863 2 >> 159 1 . 1 . . 7.533 . 1 1 1 23 ASN HD21 . . . . . . 151 . 18863 2 >> 159 2 . 1 . . 108.349 . 1 1 1 23 ASN ND2 . . . . . . 152 . 18863 2 >> 160 1 . 1 . . 6.725 . 1 1 1 23 ASN HD22 . . . . . . 153 . 18863 2 >> 160 2 . 1 . . 108.347 . 1 . . . . . . . . . . . 154 . 18863 2 >> 161 1 . 1 . . 8.635 . 1 1 1 34 GLY H . . . . . . 155 . 18863 2 >> 161 2 . 1 . . 107.489 . 1 1 1 34 GLY N . . . . . . 156 . 18863 2 >> 162 1 . 1 . . 8.057 . 1 1 1 4 GLY H . . . . . . 157 . 18863 2 >> 162 2 . 1 . . 107.303 . 1 1 1 4 GLY N . . . . . . 158 . 18863 2 >> 163 1 . 1 . . 7.927 . 1 1 1 65 GLY H . . . . . . 159 . 18863 2 >> 163 2 . 1 . . 106.521 . 1 1 1 65 GLY N . . . . . . 160 . 18863 2 >> 164 1 . 1 . . 8.026 . 1 . . . . . . . . . . . 161 . 18863 2 >> 164 2 . 1 . . 106.116 . 1 1 1 53 GLY N . . . . . . 162 . 18863 2 >> 165 1 . 1 . . 8.222 . 1 1 1 58 GLY H . . . . . . 163 . 18863 2 >> 165 2 . 1 . . 105.485 . 1 1 1 58 GLY N . . . . . . 164 . 18863 2 >> 166 1 . 1 . . 8.078 . 1 1 1 39 LEU H . . . . . . 51 . 18863 2 >> 166 2 . 1 . . 120.547 . 1 1 1 39 LEU N . . . . . . 52 . 18863 2 >> 167 1 . 1 . . 8.097 . 1 1 1 41 PHE H . . . . . . 193 . 18863 2 >> 167 2 . 1 . . 122.443 . 1 1 1 41 PHE N . . . . . . 594 . 18863 2 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2_3 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label '3D HN(CO)CA' _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 $methanol_CN _Sample_conditions_label $methanol_25c _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 18863 >> _Spectral_peak_list.ID 3 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $methanol_CN >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $methanol_25c >> _Spectral_peak_list.Experiment_ID 3 >> _Spectral_peak_list.Experiment_name '3D HN(CO)CA' >> _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 . 3002.930 . . . 18863 3 >> 2 C 13 13C . 3800.000 . . . 18863 3 >> 3 N 15 15N . 1650.029 . . . 18863 3 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 18863 3 >> 2 1.0 . 18863 3 >> 3 1.0 . 18863 3 >> 4 1.0 . 18863 3 >> 5 1.0 . 18863 3 >> 6 1.0 . 18863 3 >> 7 1.0 . 18863 3 >> 8 1.0 . 18863 3 >> 9 1.0 . 18863 3 >> 10 1.0 . 18863 3 >> 11 1.0 . 18863 3 >> 12 1.0 . 18863 3 >> 13 1.0 . 18863 3 >> 14 1.0 . 18863 3 >> 15 1.0 . 18863 3 >> 16 1.0 . 18863 3 >> 17 1.0 . 18863 3 >> 18 1.0 . 18863 3 >> 19 1.0 . 18863 3 >> 20 1.0 . 18863 3 >> 21 1.0 . 18863 3 >> 22 1.0 . 18863 3 >> 23 1.0 . 18863 3 >> 24 1.0 . 18863 3 >> 25 1.0 . 18863 3 >> 26 1.0 . 18863 3 >> 27 1.0 . 18863 3 >> 28 1.0 . 18863 3 >> 29 1.0 . 18863 3 >> 30 1.0 . 18863 3 >> 31 1.0 . 18863 3 >> 32 1.0 . 18863 3 >> 33 1.0 . 18863 3 >> 34 1.0 . 18863 3 >> 35 1.0 . 18863 3 >> 36 1.0 . 18863 3 >> 37 1.0 . 18863 3 >> 38 1.0 . 18863 3 >> 39 1.0 . 18863 3 >> 40 1.0 . 18863 3 >> 41 1.0 . 18863 3 >> 42 1.0 . 18863 3 >> 43 1.0 . 18863 3 >> 44 1.0 . 18863 3 >> 45 1.0 . 18863 3 >> 46 1.0 . 18863 3 >> 47 1.0 . 18863 3 >> 48 1.0 . 18863 3 >> 49 1.0 . 18863 3 >> 50 1.0 . 18863 3 >> 51 1.0 . 18863 3 >> 52 1.0 . 18863 3 >> 53 1.0 . 18863 3 >> 54 1.0 . 18863 3 >> 55 1.0 . 18863 3 >> 56 1.0 . 18863 3 >> 57 1.0 . 18863 3 >> 58 1.0 . 18863 3 >> 59 1.0 . 18863 3 >> 60 1.0 . 18863 3 >> 61 1.0 . 18863 3 >> 62 1.0 . 18863 3 >> 63 1.0 . 18863 3 >> 64 1.0 . 18863 3 >> 65 1.0 . 18863 3 >> 66 1.0 . 18863 3 >> 67 1.0 . 18863 3 >> 68 1.0 . 18863 3 >> 69 1.0 . 18863 3 >> 70 1.0 . 18863 3 >> 71 1.0 . 18863 3 >> 72 1.0 . 18863 3 >> 73 1.0 . 18863 3 >> 74 1.0 . 18863 3 >> 75 1.0 . 18863 3 >> 76 1.0 . 18863 3 >> 77 1.0 . 18863 3 >> 78 1.0 . 18863 3 >> 79 1.0 . 18863 3 >> 80 1.0 . 18863 3 >> 81 1.0 . 18863 3 >> 82 1.0 . 18863 3 >> 83 1.0 . 18863 3 >> 84 1.0 . 18863 3 >> 85 1.0 . 18863 3 >> 86 1.0 . 18863 3 >> 87 1.0 . 18863 3 >> 88 1.0 . 18863 3 >> 89 1.0 . 18863 3 >> 90 1.0 . 18863 3 >> 91 1.0 . 18863 3 >> 92 1.0 . 18863 3 >> 93 1.0 . 18863 3 >> 94 1.0 . 18863 3 >> 95 1.0 . 18863 3 >> 96 1.0 . 18863 3 >> 97 1.0 . 18863 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 14100101.0000000 . height 18863 3 >> 1 196630931.0000000 . volume 18863 3 >> 2 36320184.0000000 . height 18863 3 >> 2 514895602.5000000 . volume 18863 3 >> 3 14236334.0000000 . height 18863 3 >> 3 198109318.7500000 . volume 18863 3 >> 4 15839794.0000000 . height 18863 3 >> 4 236481764.0000000 . volume 18863 3 >> 5 13923871.0000000 . height 18863 3 >> 5 196575486.7500000 . volume 18863 3 >> 6 10316570.0000000 . height 18863 3 >> 6 147519995.0000000 . volume 18863 3 >> 7 12224858.0000000 . height 18863 3 >> 7 162938366.2500000 . volume 18863 3 >> 8 43679924.0000000 . height 18863 3 >> 8 632997032.5000000 . volume 18863 3 >> 9 41773624.0000000 . height 18863 3 >> 9 573639812.0000000 . volume 18863 3 >> 10 18292696.0000000 . height 18863 3 >> 10 258074459.5000000 . volume 18863 3 >> 11 1974496.0000000 . height 18863 3 >> 11 28970420.6562000 . volume 18863 3 >> 12 8439011.0000000 . height 18863 3 >> 12 119322379.5000000 . volume 18863 3 >> 13 18279670.0000000 . height 18863 3 >> 13 279460336.7500000 . volume 18863 3 >> 14 23295246.0000000 . height 18863 3 >> 14 350010950.0000000 . volume 18863 3 >> 15 54976196.0000000 . height 18863 3 >> 15 761265074.0000000 . volume 18863 3 >> 16 15369929.0000000 . height 18863 3 >> 16 225776171.0000000 . volume 18863 3 >> 17 37571688.0000000 . height 18863 3 >> 17 526506713.5000000 . volume 18863 3 >> 18 10724482.0000000 . height 18863 3 >> 18 166551538.9060000 . volume 18863 3 >> 19 9037045.0000000 . height 18863 3 >> 19 125481181.9380000 . volume 18863 3 >> 20 14217093.0000000 . height 18863 3 >> 20 201903517.7500000 . volume 18863 3 >> 21 15918706.0000000 . height 18863 3 >> 21 244021511.3750000 . volume 18863 3 >> 22 19120892.0000000 . height 18863 3 >> 22 281301329.5000000 . volume 18863 3 >> 23 15070875.0000000 . height 18863 3 >> 23 219963629.7500000 . volume 18863 3 >> 24 16955686.0000000 . height 18863 3 >> 24 237313277.7500000 . volume 18863 3 >> 25 13217931.0000000 . height 18863 3 >> 25 180842382.5000000 . volume 18863 3 >> 26 25361294.0000000 . height 18863 3 >> 26 396444136.2500000 . volume 18863 3 >> 27 12812257.0000000 . height 18863 3 >> 27 181048253.0000000 . volume 18863 3 >> 28 11971133.0000000 . height 18863 3 >> 28 189297343.2500000 . volume 18863 3 >> 29 10898903.0000000 . height 18863 3 >> 29 162436143.6250000 . volume 18863 3 >> 30 3473225.5000000 . height 18863 3 >> 30 55120190.0625000 . volume 18863 3 >> 31 14060806.0000000 . height 18863 3 >> 31 202708045.7500000 . volume 18863 3 >> 32 11787167.0000000 . height 18863 3 >> 32 178555831.0000000 . volume 18863 3 >> 33 15094047.0000000 . height 18863 3 >> 33 228412658.1250000 . volume 18863 3 >> 34 2220780.0000000 . height 18863 3 >> 34 35593041.8203000 . volume 18863 3 >> 35 11023461.0000000 . height 18863 3 >> 35 173639034.7500000 . volume 18863 3 >> 36 2665046.5000000 . height 18863 3 >> 36 41773946.2969000 . volume 18863 3 >> 37 14275184.0000000 . height 18863 3 >> 37 202142113.2500000 . volume 18863 3 >> 38 37249452.0000000 . height 18863 3 >> 38 535930539.5000000 . volume 18863 3 >> 39 65376576.0000000 . height 18863 3 >> 39 896093036.0000000 . volume 18863 3 >> 40 55285656.0000000 . height 18863 3 >> 40 793653589.3750000 . volume 18863 3 >> 41 15388565.0000000 . height 18863 3 >> 41 199809028.5000000 . volume 18863 3 >> 42 83217512.0000000 . height 18863 3 >> 42 1130966091.0000000 . volume 18863 3 >> 43 13211566.0000000 . height 18863 3 >> 43 210006405.1880000 . volume 18863 3 >> 44 49132276.0000000 . height 18863 3 >> 44 780827272.5000000 . volume 18863 3 >> 45 3076680.2500000 . height 18863 3 >> 45 54840673.1250000 . volume 18863 3 >> 46 37933776.0000000 . height 18863 3 >> 46 559699497.2500000 . volume 18863 3 >> 47 42214880.0000000 . height 18863 3 >> 47 597544815.0000000 . volume 18863 3 >> 48 13930895.0000000 . height 18863 3 >> 48 218087202.5000000 . volume 18863 3 >> 49 13139013.0000000 . height 18863 3 >> 49 185002650.5000000 . volume 18863 3 >> 50 13600591.0000000 . height 18863 3 >> 50 194243632.7500000 . volume 18863 3 >> 51 2524667.0000000 . height 18863 3 >> 51 30233019.0312000 . volume 18863 3 >> 52 16833710.0000000 . height 18863 3 >> 52 255188090.0000000 . volume 18863 3 >> 53 12557352.0000000 . height 18863 3 >> 53 182901756.2500000 . volume 18863 3 >> 54 14711532.0000000 . height 18863 3 >> 54 224534487.2500000 . volume 18863 3 >> 55 36537184.0000000 . height 18863 3 >> 55 543576201.0000000 . volume 18863 3 >> 56 16040501.0000000 . height 18863 3 >> 56 242204446.0000000 . volume 18863 3 >> 57 50004708.0000000 . height 18863 3 >> 57 718533313.0000000 . volume 18863 3 >> 58 15466170.0000000 . height 18863 3 >> 58 245864021.3750000 . volume 18863 3 >> 59 16113032.0000000 . height 18863 3 >> 59 225451890.5000000 . volume 18863 3 >> 60 16585482.0000000 . height 18863 3 >> 60 244804775.7500000 . volume 18863 3 >> 61 12397009.0000000 . height 18863 3 >> 61 173537126.0000000 . volume 18863 3 >> 62 16670436.0000000 . height 18863 3 >> 62 239081151.5000000 . volume 18863 3 >> 63 38916860.0000000 . height 18863 3 >> 63 569579944.0000000 . volume 18863 3 >> 64 25381254.0000000 . height 18863 3 >> 64 372931707.0000000 . volume 18863 3 >> 65 8565165.0000000 . height 18863 3 >> 65 162002860.2500000 . volume 18863 3 >> 66 16912590.0000000 . height 18863 3 >> 66 238850444.7500000 . volume 18863 3 >> 67 36216592.0000000 . height 18863 3 >> 67 506179680.5000000 . volume 18863 3 >> 68 39735176.0000000 . height 18863 3 >> 68 592378752.0000000 . volume 18863 3 >> 69 2677796.5000000 . height 18863 3 >> 69 42651132.1562000 . volume 18863 3 >> 70 36199512.0000000 . height 18863 3 >> 70 522595356.0000000 . volume 18863 3 >> 71 28269432.0000000 . height 18863 3 >> 71 409840787.0000000 . volume 18863 3 >> 72 2060766.8750000 . height 18863 3 >> 72 40161182.3125000 . volume 18863 3 >> 73 41449512.0000000 . height 18863 3 >> 73 593636299.0000000 . volume 18863 3 >> 74 2020815.0000000 . height 18863 3 >> 74 33893509.7930000 . volume 18863 3 >> 75 40134088.0000000 . height 18863 3 >> 75 571439875.5000000 . volume 18863 3 >> 76 13846743.0000000 . height 18863 3 >> 76 199329956.0000000 . volume 18863 3 >> 77 42142352.0000000 . height 18863 3 >> 77 590310810.0000000 . volume 18863 3 >> 78 15616731.0000000 . height 18863 3 >> 78 229730365.2500000 . volume 18863 3 >> 79 50584032.0000000 . height 18863 3 >> 79 733396226.0000000 . volume 18863 3 >> 80 13227620.0000000 . height 18863 3 >> 80 179355893.7500000 . volume 18863 3 >> 81 62719896.0000000 . height 18863 3 >> 81 908920500.0000000 . volume 18863 3 >> 82 12098981.0000000 . height 18863 3 >> 82 186927670.5000000 . volume 18863 3 >> 83 3940421.2500000 . height 18863 3 >> 83 50248963.3750000 . volume 18863 3 >> 84 3332918.5000000 . height 18863 3 >> 84 50571399.6250000 . volume 18863 3 >> 85 11873411.0000000 . height 18863 3 >> 85 183906916.2500000 . volume 18863 3 >> 86 61800992.0000000 . height 18863 3 >> 86 907812977.0000000 . volume 18863 3 >> 87 36940420.0000000 . height 18863 3 >> 87 526313967.0000000 . volume 18863 3 >> 88 12297747.0000000 . height 18863 3 >> 88 175619063.7500000 . volume 18863 3 >> 89 21450648.0000000 . height 18863 3 >> 89 303565943.0000000 . volume 18863 3 >> 90 6736143.5000000 . height 18863 3 >> 90 115606607.2500000 . volume 18863 3 >> 91 -450516.0937500 . height 18863 3 >> 91 -10543778.3945000 . volume 18863 3 >> 92 -198492.0937500 . height 18863 3 >> 92 -4257718.3110400 . volume 18863 3 >> 93 189982.3750000 . height 18863 3 >> 93 4215199.0726900 . volume 18863 3 >> 94 -80467.2421875 . height 18863 3 >> 94 -3736653.6406200 . volume 18863 3 >> 95 -460781.2187500 . height 18863 3 >> 95 -3615443.3764600 . volume 18863 3 >> 96 -645871.8750000 . height 18863 3 >> 96 -9615034.0478500 . volume 18863 3 >> 97 121896.5937500 . height 18863 3 >> 97 3687132.8623000 . volume 18863 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 8.339 . . . . . . . . . . . . 8 18863 3 >> 1 2 48.506 . . . . . . . . . . . . 8 18863 3 >> 1 3 124.999 . . . . . . . . . . . . 8 18863 3 >> 2 1 7.934 . . . . . . . . . . . . 8 18863 3 >> 2 2 48.010 . . . . . . . . . . . . 8 18863 3 >> 2 3 123.901 . . . . . . . . . . . . 8 18863 3 >> 3 1 8.306 . . . . . . . . . . . . 8 18863 3 >> 3 2 68.286 . . . . . . . . . . . . 8 18863 3 >> 3 3 123.687 . . . . . . . . . . . . 8 18863 3 >> 4 1 8.538 . . . . . . . . . . . . 8 18863 3 >> 4 2 58.453 . . . . . . . . . . . . 8 18863 3 >> 4 3 123.507 . . . . . . . . . . . . 8 18863 3 >> 5 1 8.240 . . . . . . . . . . . . 8 18863 3 >> 5 2 48.836 . . . . . . . . . . . . 8 18863 3 >> 5 3 123.081 . . . . . . . . . . . . 8 18863 3 >> 6 1 8.122 . . . . . . . . . . . . 8 18863 3 >> 6 2 63.780 . . . . . . . . . . . . 8 18863 3 >> 6 3 123.064 . . . . . . . . . . . . 8 18863 3 >> 7 1 8.315 . . . . . . . . . . . . 8 18863 3 >> 7 2 65.877 . . . . . . . . . . . . 8 18863 3 >> 7 3 122.870 . . . . . . . . . . . . 8 18863 3 >> 8 1 8.001 . . . . . . . . . . . . 8 18863 3 >> 8 2 64.903 . . . . . . . . . . . . 8 18863 3 >> 8 3 122.687 . . . . . . . . . . . . 8 18863 3 >> 9 1 8.161 . . . . . . . . . . . . 8 18863 3 >> 9 2 59.375 . . . . . . . . . . . . 8 18863 3 >> 9 3 122.652 . . . . . . . . . . . . 8 18863 3 >> 10 1 8.106 . . . . . . . . . . . . 8 18863 3 >> 10 2 60.479 . . . . . . . . . . . . 8 18863 3 >> 10 3 122.639 . . . . . . . . . . . . 8 18863 3 >> 11 1 8.106 . . . . . . . . . . . . 8 18863 3 >> 11 2 59.322 . . . . . . . . . . . . 8 18863 3 >> 11 3 122.577 . . . . . . . . . . . . 8 18863 3 >> 12 1 8.095 . . . . . . . . . . . . 8 18863 3 >> 12 2 64.477 . . . . . . . . . . . . 8 18863 3 >> 12 3 122.396 . . . . . . . . . . . . 8 18863 3 >> 13 1 8.021 . . . . . . . . . . . . 8 18863 3 >> 13 2 61.889 . . . . . . . . . . . . 8 18863 3 >> 13 3 122.376 . . . . . . . . . . . . 8 18863 3 >> 14 1 7.819 . . . . . . . . . . . . 8 18863 3 >> 14 2 56.931 . . . . . . . . . . . . 8 18863 3 >> 14 3 122.391 . . . . . . . . . . . . 8 18863 3 >> 15 1 7.909 . . . . . . . . . . . . 8 18863 3 >> 15 2 61.478 . . . . . . . . . . . . 8 18863 3 >> 15 3 121.738 . . . . . . . . . . . . 8 18863 3 >> 16 1 8.160 . . . . . . . . . . . . 8 18863 3 >> 16 2 57.874 . . . . . . . . . . . . 8 18863 3 >> 16 3 121.548 . . . . . . . . . . . . 8 18863 3 >> 17 1 7.858 . . . . . . . . . . . . 8 18863 3 >> 17 2 62.089 . . . . . . . . . . . . 8 18863 3 >> 17 3 121.562 . . . . . . . . . . . . 8 18863 3 >> 18 1 8.539 . . . . . . . . . . . . 8 18863 3 >> 18 2 57.819 . . . . . . . . . . . . 8 18863 3 >> 18 3 121.486 . . . . . . . . . . . . 8 18863 3 >> 19 1 8.273 . . . . . . . . . . . . 8 18863 3 >> 19 2 63.747 . . . . . . . . . . . . 8 18863 3 >> 19 3 121.257 . . . . . . . . . . . . 8 18863 3 >> 20 1 8.155 . . . . . . . . . . . . 8 18863 3 >> 20 2 62.566 . . . . . . . . . . . . 8 18863 3 >> 20 3 121.112 . . . . . . . . . . . . 8 18863 3 >> 21 1 8.129 . . . . . . . . . . . . 8 18863 3 >> 21 2 59.876 . . . . . . . . . . . . 8 18863 3 >> 21 3 121.062 . . . . . . . . . . . . 8 18863 3 >> 22 1 7.955 . . . . . . . . . . . . 8 18863 3 >> 22 2 57.732 . . . . . . . . . . . . 8 18863 3 >> 22 3 120.990 . . . . . . . . . . . . 8 18863 3 >> 23 1 8.302 . . . . . . . . . . . . 8 18863 3 >> 23 2 68.815 . . . . . . . . . . . . 8 18863 3 >> 23 3 120.973 . . . . . . . . . . . . 8 18863 3 >> 24 1 8.581 . . . . . . . . . . . . 8 18863 3 >> 24 2 57.194 . . . . . . . . . . . . 8 18863 3 >> 24 3 120.933 . . . . . . . . . . . . 8 18863 3 >> 25 1 8.797 . . . . . . . . . . . . 8 18863 3 >> 25 2 63.267 . . . . . . . . . . . . 8 18863 3 >> 25 3 120.750 . . . . . . . . . . . . 8 18863 3 >> 26 1 8.053 . . . . . . . . . . . . 8 18863 3 >> 26 2 68.790 . . . . . . . . . . . . 8 18863 3 >> 26 3 120.609 . . . . . . . . . . . . 8 18863 3 >> 27 1 8.081 . . . . . . . . . . . . 8 18863 3 >> 27 2 66.532 . . . . . . . . . . . . 8 18863 3 >> 27 3 120.526 . . . . . . . . . . . . 8 18863 3 >> 28 1 8.392 . . . . . . . . . . . . 8 18863 3 >> 28 2 57.819 . . . . . . . . . . . . 8 18863 3 >> 28 3 120.582 . . . . . . . . . . . . 8 18863 3 >> 29 1 8.205 . . . . . . . . . . . . 8 18863 3 >> 29 2 62.312 . . . . . . . . . . . . 8 18863 3 >> 29 3 120.604 . . . . . . . . . . . . 8 18863 3 >> 30 1 8.227 . . . . . . . . . . . . 8 18863 3 >> 30 2 59.979 . . . . . . . . . . . . 8 18863 3 >> 30 3 120.494 . . . . . . . . . . . . 8 18863 3 >> 31 1 8.248 . . . . . . . . . . . . 8 18863 3 >> 31 2 57.121 . . . . . . . . . . . . 8 18863 3 >> 31 3 120.513 . . . . . . . . . . . . 8 18863 3 >> 32 1 8.344 . . . . . . . . . . . . 8 18863 3 >> 32 2 63.613 . . . . . . . . . . . . 8 18863 3 >> 32 3 120.465 . . . . . . . . . . . . 8 18863 3 >> 33 1 8.504 . . . . . . . . . . . . 8 18863 3 >> 33 2 59.826 . . . . . . . . . . . . 8 18863 3 >> 33 3 120.407 . . . . . . . . . . . . 8 18863 3 >> 34 1 8.309 . . . . . . . . . . . . 8 18863 3 >> 34 2 63.572 . . . . . . . . . . . . 8 18863 3 >> 34 3 120.457 . . . . . . . . . . . . 8 18863 3 >> 35 1 8.285 . . . . . . . . . . . . 8 18863 3 >> 35 2 60.101 . . . . . . . . . . . . 8 18863 3 >> 35 3 120.448 . . . . . . . . . . . . 8 18863 3 >> 36 1 8.291 . . . . . . . . . . . . 8 18863 3 >> 36 2 63.546 . . . . . . . . . . . . 8 18863 3 >> 36 3 120.414 . . . . . . . . . . . . 8 18863 3 >> 37 1 8.287 . . . . . . . . . . . . 8 18863 3 >> 37 2 57.802 . . . . . . . . . . . . 8 18863 3 >> 37 3 120.328 . . . . . . . . . . . . 8 18863 3 >> 38 1 8.024 . . . . . . . . . . . . 8 18863 3 >> 38 2 55.997 . . . . . . . . . . . . 8 18863 3 >> 38 3 120.265 . . . . . . . . . . . . 8 18863 3 >> 39 1 7.780 . . . . . . . . . . . . 8 18863 3 >> 39 2 55.069 . . . . . . . . . . . . 8 18863 3 >> 39 3 120.293 . . . . . . . . . . . . 8 18863 3 >> 40 1 7.874 . . . . . . . . . . . . 8 18863 3 >> 40 2 55.385 . . . . . . . . . . . . 8 18863 3 >> 40 3 120.220 . . . . . . . . . . . . 8 18863 3 >> 41 1 8.193 . . . . . . . . . . . . 8 18863 3 >> 41 2 60.122 . . . . . . . . . . . . 8 18863 3 >> 41 3 120.307 . . . . . . . . . . . . 8 18863 3 >> 42 1 8.181 . . . . . . . . . . . . 8 18863 3 >> 42 2 64.770 . . . . . . . . . . . . 8 18863 3 >> 42 3 120.098 . . . . . . . . . . . . 8 18863 3 >> 43 1 8.532 . . . . . . . . . . . . 8 18863 3 >> 43 2 57.745 . . . . . . . . . . . . 8 18863 3 >> 43 3 120.012 . . . . . . . . . . . . 8 18863 3 >> 44 1 7.707 . . . . . . . . . . . . 8 18863 3 >> 44 2 54.448 . . . . . . . . . . . . 8 18863 3 >> 44 3 119.778 . . . . . . . . . . . . 8 18863 3 >> 45 1 7.645 . . . . . . . . . . . . 8 18863 3 >> 45 2 60.756 . . . . . . . . . . . . 8 18863 3 >> 45 3 119.943 . . . . . . . . . . . . 8 18863 3 >> 46 1 7.632 . . . . . . . . . . . . 8 18863 3 >> 46 2 57.949 . . . . . . . . . . . . 8 18863 3 >> 46 3 119.809 . . . . . . . . . . . . 8 18863 3 >> 47 1 7.818 . . . . . . . . . . . . 8 18863 3 >> 47 2 59.091 . . . . . . . . . . . . 8 18863 3 >> 47 3 119.714 . . . . . . . . . . . . 8 18863 3 >> 48 1 8.083 . . . . . . . . . . . . 8 18863 3 >> 48 2 56.863 . . . . . . . . . . . . 8 18863 3 >> 48 3 119.676 . . . . . . . . . . . . 8 18863 3 >> 49 1 8.231 . . . . . . . . . . . . 8 18863 3 >> 49 2 63.246 . . . . . . . . . . . . 8 18863 3 >> 49 3 119.676 . . . . . . . . . . . . 8 18863 3 >> 50 1 8.469 . . . . . . . . . . . . 8 18863 3 >> 50 2 61.144 . . . . . . . . . . . . 8 18863 3 >> 50 3 119.629 . . . . . . . . . . . . 8 18863 3 >> 51 1 8.188 . . . . . . . . . . . . 8 18863 3 >> 51 2 64.756 . . . . . . . . . . . . 8 18863 3 >> 51 3 119.567 . . . . . . . . . . . . 8 18863 3 >> 52 1 8.180 . . . . . . . . . . . . 8 18863 3 >> 52 2 59.666 . . . . . . . . . . . . 8 18863 3 >> 52 3 119.472 . . . . . . . . . . . . 8 18863 3 >> 53 1 8.079 . . . . . . . . . . . . 8 18863 3 >> 53 2 66.453 . . . . . . . . . . . . 8 18863 3 >> 53 3 119.477 . . . . . . . . . . . . 8 18863 3 >> 54 1 7.961 . . . . . . . . . . . . 8 18863 3 >> 54 2 56.848 . . . . . . . . . . . . 8 18863 3 >> 54 3 119.511 . . . . . . . . . . . . 8 18863 3 >> 55 1 7.513 . . . . . . . . . . . . 8 18863 3 >> 55 2 59.459 . . . . . . . . . . . . 8 18863 3 >> 55 3 119.409 . . . . . . . . . . . . 8 18863 3 >> 56 1 7.615 . . . . . . . . . . . . 8 18863 3 >> 56 2 60.779 . . . . . . . . . . . . 8 18863 3 >> 56 3 119.271 . . . . . . . . . . . . 8 18863 3 >> 57 1 7.640 . . . . . . . . . . . . 8 18863 3 >> 57 2 54.310 . . . . . . . . . . . . 8 18863 3 >> 57 3 119.094 . . . . . . . . . . . . 8 18863 3 >> 58 1 8.021 . . . . . . . . . . . . 8 18863 3 >> 58 2 57.003 . . . . . . . . . . . . 8 18863 3 >> 58 3 118.735 . . . . . . . . . . . . 8 18863 3 >> 59 1 8.389 . . . . . . . . . . . . 8 18863 3 >> 59 2 60.878 . . . . . . . . . . . . 8 18863 3 >> 59 3 118.582 . . . . . . . . . . . . 8 18863 3 >> 60 1 7.487 . . . . . . . . . . . . 8 18863 3 >> 60 2 47.898 . . . . . . . . . . . . 8 18863 3 >> 60 3 118.244 . . . . . . . . . . . . 8 18863 3 >> 61 1 8.396 . . . . . . . . . . . . 8 18863 3 >> 61 2 63.459 . . . . . . . . . . . . 8 18863 3 >> 61 3 117.987 . . . . . . . . . . . . 8 18863 3 >> 62 1 7.584 . . . . . . . . . . . . 8 18863 3 >> 62 2 58.494 . . . . . . . . . . . . 8 18863 3 >> 62 3 117.958 . . . . . . . . . . . . 8 18863 3 >> 63 1 7.970 . . . . . . . . . . . . 8 18863 3 >> 63 2 55.527 . . . . . . . . . . . . 8 18863 3 >> 63 3 117.820 . . . . . . . . . . . . 8 18863 3 >> 64 1 7.697 . . . . . . . . . . . . 8 18863 3 >> 64 2 66.550 . . . . . . . . . . . . 8 18863 3 >> 64 3 117.822 . . . . . . . . . . . . 8 18863 3 >> 65 1 7.789 . . . . . . . . . . . . 8 18863 3 >> 65 2 59.459 . . . . . . . . . . . . 8 18863 3 >> 65 3 117.832 . . . . . . . . . . . . 8 18863 3 >> 66 1 7.777 . . . . . . . . . . . . 8 18863 3 >> 66 2 57.036 . . . . . . . . . . . . 8 18863 3 >> 66 3 117.762 . . . . . . . . . . . . 8 18863 3 >> 67 1 7.894 . . . . . . . . . . . . 8 18863 3 >> 67 2 56.415 . . . . . . . . . . . . 8 18863 3 >> 67 3 117.511 . . . . . . . . . . . . 8 18863 3 >> 68 1 7.674 . . . . . . . . . . . . 8 18863 3 >> 68 2 47.328 . . . . . . . . . . . . 8 18863 3 >> 68 3 117.304 . . . . . . . . . . . . 8 18863 3 >> 69 1 7.725 . . . . . . . . . . . . 8 18863 3 >> 69 2 53.928 . . . . . . . . . . . . 8 18863 3 >> 69 3 117.414 . . . . . . . . . . . . 8 18863 3 >> 70 1 7.745 . . . . . . . . . . . . 8 18863 3 >> 70 2 59.087 . . . . . . . . . . . . 8 18863 3 >> 70 3 117.157 . . . . . . . . . . . . 8 18863 3 >> 71 1 7.931 . . . . . . . . . . . . 8 18863 3 >> 71 2 66.670 . . . . . . . . . . . . 8 18863 3 >> 71 3 116.924 . . . . . . . . . . . . 8 18863 3 >> 72 1 7.944 . . . . . . . . . . . . 8 18863 3 >> 72 2 61.666 . . . . . . . . . . . . 8 18863 3 >> 72 3 116.851 . . . . . . . . . . . . 8 18863 3 >> 73 1 7.982 . . . . . . . . . . . . 8 18863 3 >> 73 2 61.733 . . . . . . . . . . . . 8 18863 3 >> 73 3 116.726 . . . . . . . . . . . . 8 18863 3 >> 74 1 7.886 . . . . . . . . . . . . 8 18863 3 >> 74 2 66.607 . . . . . . . . . . . . 8 18863 3 >> 74 3 116.717 . . . . . . . . . . . . 8 18863 3 >> 75 1 7.881 . . . . . . . . . . . . 8 18863 3 >> 75 2 56.110 . . . . . . . . . . . . 8 18863 3 >> 75 3 116.662 . . . . . . . . . . . . 8 18863 3 >> 76 1 8.392 . . . . . . . . . . . . 8 18863 3 >> 76 2 56.892 . . . . . . . . . . . . 8 18863 3 >> 76 3 116.093 . . . . . . . . . . . . 8 18863 3 >> 77 1 7.061 . . . . . . . . . . . . 8 18863 3 >> 77 2 67.696 . . . . . . . . . . . . 8 18863 3 >> 77 3 116.076 . . . . . . . . . . . . 8 18863 3 >> 78 1 8.159 . . . . . . . . . . . . 8 18863 3 >> 78 2 56.697 . . . . . . . . . . . . 8 18863 3 >> 78 3 115.915 . . . . . . . . . . . . 8 18863 3 >> 79 1 8.119 . . . . . . . . . . . . 8 18863 3 >> 79 2 46.178 . . . . . . . . . . . . 8 18863 3 >> 79 3 115.292 . . . . . . . . . . . . 8 18863 3 >> 80 1 8.154 . . . . . . . . . . . . 8 18863 3 >> 80 2 59.896 . . . . . . . . . . . . 8 18863 3 >> 80 3 114.829 . . . . . . . . . . . . 8 18863 3 >> 81 1 7.574 . . . . . . . . . . . . 8 18863 3 >> 81 2 53.250 . . . . . . . . . . . . 8 18863 3 >> 81 3 113.998 . . . . . . . . . . . . 8 18863 3 >> 82 1 8.601 . . . . . . . . . . . . 8 18863 3 >> 82 2 60.602 . . . . . . . . . . . . 8 18863 3 >> 82 3 110.403 . . . . . . . . . . . . 8 18863 3 >> 83 1 7.520 . . . . . . . . . . . . 8 18863 3 >> 83 2 65.544 . . . . . . . . . . . . 8 18863 3 >> 83 3 108.423 . . . . . . . . . . . . 8 18863 3 >> 84 1 6.743 . . . . . . . . . . . . 8 18863 3 >> 84 2 65.558 . . . . . . . . . . . . 8 18863 3 >> 84 3 108.346 . . . . . . . . . . . . 8 18863 3 >> 85 1 8.633 . . . . . . . . . . . . 8 18863 3 >> 85 2 57.059 . . . . . . . . . . . . 8 18863 3 >> 85 3 107.512 . . . . . . . . . . . . 8 18863 3 >> 86 1 8.056 . . . . . . . . . . . . 8 18863 3 >> 86 2 56.532 . . . . . . . . . . . . 8 18863 3 >> 86 3 107.314 . . . . . . . . . . . . 8 18863 3 >> 87 1 7.926 . . . . . . . . . . . . 8 18863 3 >> 87 2 61.349 . . . . . . . . . . . . 8 18863 3 >> 87 3 106.528 . . . . . . . . . . . . 8 18863 3 >> 88 1 8.026 . . . . . . . . . . . . 8 18863 3 >> 88 2 61.275 . . . . . . . . . . . . 8 18863 3 >> 88 3 106.107 . . . . . . . . . . . . 8 18863 3 >> 89 1 8.223 . . . . . . . . . . . . 8 18863 3 >> 89 2 66.802 . . . . . . . . . . . . 8 18863 3 >> 89 3 105.487 . . . . . . . . . . . . 8 18863 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 . . 8.339 . 1 1 1 35 ALA H . . . . . . 5 . 18863 3 >> 1 3 . 1 . . 124.999 . 1 1 1 35 ALA N . . . . . . 6 . 18863 3 >> 2 1 . 1 . . 7.934 . 1 1 1 59 ALA H . . . . . . 7 . 18863 3 >> 2 3 . 1 . . 123.901 . 1 1 1 59 ALA N . . . . . . 8 . 18863 3 >> 3 1 . 1 . . 8.306 . 1 1 1 33 ALA H . . . . . . 9 . 18863 3 >> 3 3 . 1 . . 123.687 . 1 1 1 33 ALA N . . . . . . 10 . 18863 3 >> 4 1 . 1 . . 8.538 . 1 1 1 29 ALA H . . . . . . 11 . 18863 3 >> 4 3 . 1 . . 123.507 . 1 1 1 29 ALA N . . . . . . 12 . 18863 3 >> 5 1 . 1 . . 8.240 . 1 1 1 38 ILE H . . . . . . 13 . 18863 3 >> 5 3 . 1 . . 123.081 . 1 1 1 38 ILE N . . . . . . 14 . 18863 3 >> 6 1 . 1 . . 8.122 . 1 1 1 32 VAL H . . . . . . 15 . 18863 3 >> 6 3 . 1 . . 123.064 . 1 1 1 32 VAL N . . . . . . 16 . 18863 3 >> 7 1 . 1 . . 8.315 . 1 1 1 20 ALA H . . . . . . 17 . 18863 3 >> 7 3 . 1 . . 122.870 . 1 1 1 20 ALA N . . . . . . 18 . 18863 3 >> 8 1 . 1 . . 8.001 . 1 1 1 67 TRP H . . . . . . 19 . 18863 3 >> 8 3 . 1 . . 122.687 . 1 1 1 67 TRP N . . . . . . 20 . 18863 3 >> 9 1 . 1 . . 8.161 . 1 1 1 80 ALA H . . . . . . 21 . 18863 3 >> 9 3 . 1 . . 122.652 . 1 1 1 80 ALA N . . . . . . 22 . 18863 3 >> 10 1 . 1 . . 8.106 . 1 1 1 47 ALA H . . . . . . 23 . 18863 3 >> 10 3 . 1 . . 122.639 . 1 1 1 47 ALA N . . . . . . 24 . 18863 3 >> 11 1 . 1 . . 8.106 . 1 1 1 47 ALA H . . . . . . 23 . 18863 3 >> 11 3 . 1 . . 122.577 . 1 1 1 47 ALA N . . . . . . 24 . 18863 3 >> 12 1 . 1 . . 8.095 . 1 1 1 47 ALA H . . . . . . 23 . 18863 3 >> 13 1 . 1 . . 8.021 . 1 1 1 9 ALA H . . . . . . 25 . 18863 3 >> 13 3 . 1 . . 122.376 . 1 1 1 9 ALA N . . . . . . 26 . 18863 3 >> 14 1 . 1 . . 7.819 . 1 1 1 56 ALA H . . . . . . 27 . 18863 3 >> 14 3 . 1 . . 122.391 . 1 1 1 56 ALA N . . . . . . 28 . 18863 3 >> 15 1 . 1 . . 7.909 . 1 1 1 82 ALA H . . . . . . 29 . 18863 3 >> 15 3 . 1 . . 121.738 . 1 1 1 82 ALA N . . . . . . 30 . 18863 3 >> 16 1 . 1 . . 8.160 . 1 1 1 46 CYS H . . . . . . 31 . 18863 3 >> 16 3 . 1 . . 121.548 . 1 1 1 46 CYS N . . . . . . 32 . 18863 3 >> 17 1 . 1 . . 7.858 . 1 1 1 62 ALA H . . . . . . 33 . 18863 3 >> 17 3 . 1 . . 121.562 . 1 1 1 62 ALA N . . . . . . 34 . 18863 3 >> 18 1 . 1 . . 8.539 . 1 . . . . . . . . . . . 35 . 18863 3 >> 18 3 . 1 . . 121.486 . 1 . . . . . . . . . . . 36 . 18863 3 >> 19 1 . 1 . . 8.273 . 1 1 1 3 LEU H . . . . . . 37 . 18863 3 >> 19 3 . 1 . . 121.257 . 1 1 1 3 LEU N . . . . . . 38 . 18863 3 >> 20 1 . 1 . . 8.155 . 1 1 1 44 PHE H . . . . . . 39 . 18863 3 >> 20 3 . 1 . . 121.112 . 1 1 1 44 PHE N . . . . . . 40 . 18863 3 >> 22 1 . 1 . . 7.955 . 1 1 1 24 LEU H . . . . . . 43 . 18863 3 >> 22 3 . 1 . . 120.990 . 1 1 1 24 LEU N . . . . . . 44 . 18863 3 >> 23 1 . 1 . . 8.302 . 1 1 1 27 LEU H . . . . . . 45 . 18863 3 >> 23 3 . 1 . . 120.973 . 1 1 1 27 LEU N . . . . . . 46 . 18863 3 >> 24 1 . 1 . . 8.581 . 1 1 1 30 ALA H . . . . . . 47 . 18863 3 >> 24 3 . 1 . . 120.933 . 1 1 1 30 ALA N . . . . . . 48 . 18863 3 >> 25 1 . 1 . . 8.797 . 1 1 1 18 ASP H . . . . . . 49 . 18863 3 >> 25 3 . 1 . . 120.750 . 1 1 1 18 ASP N . . . . . . 50 . 18863 3 >> 26 1 . 2 . . 8.053 . 1 1 1 17 ASP H . . . . . . 228 . 18863 3 >> 26 3 . 2 . . 120.609 . 1 1 1 17 ASP N . . . . . . 229 . 18863 3 >> 27 1 . 1 . . 8.081 . 1 1 1 39 LEU H . . . . . . 51 . 18863 3 >> 27 3 . 1 . . 120.526 . 1 1 1 39 LEU N . . . . . . 52 . 18863 3 >> 28 1 . 1 . . 8.392 . 1 . . . . . . . . . . . 53 . 18863 3 >> 28 3 . 1 . . 120.582 . 1 . . . . . . . . . . . 54 . 18863 3 >> 29 1 . 1 . . 8.205 . 1 1 1 50 TYR H . . . . . . 55 . 18863 3 >> 29 3 . 1 . . 120.604 . 1 1 1 50 TYR N . . . . . . 56 . 18863 3 >> 30 1 . 1 . . 8.227 . 1 1 1 50 TYR H . . . . . . 55 . 18863 3 >> 30 3 . 1 . . 120.494 . 1 1 1 50 TYR N . . . . . . 56 . 18863 3 >> 31 1 . 1 . . 8.248 . 1 1 1 10 ALA H . . . . . . 57 . 18863 3 >> 31 3 . 1 . . 120.513 . 1 1 1 10 ALA N . . . . . . 58 . 18863 3 >> 32 1 . 1 . . 8.344 . 1 1 1 42 LEU H . . . . . . 59 . 18863 3 >> 32 3 . 1 . . 120.465 . 1 1 1 42 LEU N . . . . . . 60 . 18863 3 >> 33 1 . 1 . . 8.504 . 1 1 1 28 ASN H . . . . . . 61 . 18863 3 >> 33 3 . 1 . . 120.407 . 1 1 1 28 ASN N . . . . . . 62 . 18863 3 >> 34 1 . 1 . . 8.309 . 1 1 1 43 VAL H . . . . . . 63 . 18863 3 >> 34 3 . 1 . . 120.457 . 1 1 1 43 VAL N . . . . . . 64 . 18863 3 >> 35 1 . 1 . . 8.285 . 1 1 1 43 VAL H . . . . . . 63 . 18863 3 >> 35 3 . 1 . . 120.448 . 1 1 1 43 VAL N . . . . . . 64 . 18863 3 >> 36 1 . 1 . . 8.291 . 1 1 1 43 VAL H . . . . . . 63 . 18863 3 >> 36 3 . 1 . . 120.414 . 1 1 1 43 VAL N . . . . . . 64 . 18863 3 >> 37 1 . 1 . . 8.287 . 1 1 1 43 VAL H . . . . . . 63 . 18863 3 >> 37 3 . 1 . . 120.328 . 1 1 1 43 VAL N . . . . . . 64 . 18863 3 >> 38 1 . 1 . . 8.024 . 1 1 1 60 ALA H . . . . . . 65 . 18863 3 >> 38 3 . 1 . . 120.265 . 1 1 1 60 ALA N . . . . . . 66 . 18863 3 >> 39 1 . 1 . . 7.780 . 1 1 1 84 ALA H . . . . . . 67 . 18863 3 >> 39 3 . 1 . . 120.293 . 1 1 1 84 ALA N . . . . . . 68 . 18863 3 >> 40 1 . 1 . . 7.874 . 1 1 1 83 ALA H . . . . . . 69 . 18863 3 >> 40 3 . 1 . . 120.220 . 1 1 1 83 ALA N . . . . . . 70 . 18863 3 >> 41 1 . 1 . . 8.193 . 1 1 1 12 ASP H . . . . . . 71 . 18863 3 >> 41 3 . 1 . . 120.307 . 1 1 1 12 ASP N . . . . . . 72 . 18863 3 >> 42 1 . 1 . . 8.181 . 1 1 1 12 ASP H . . . . . . 71 . 18863 3 >> 42 3 . 1 . . 120.098 . 1 1 1 12 ASP N . . . . . . 72 . 18863 3 >> 43 1 . 1 . . 8.532 . 1 . . . . . . . . . . . 73 . 18863 3 >> 43 3 . 1 . . 120.012 . 1 . . . . . . . . . . . 74 . 18863 3 >> 44 1 . 1 . . 7.707 . 1 1 1 85 ALA H . . . . . . 75 . 18863 3 >> 44 3 . 1 . . 119.778 . 1 1 1 85 ALA N . . . . . . 76 . 18863 3 >> 45 1 . 1 . . 7.645 . 1 1 1 75 ALA H . . . . . . 77 . 18863 3 >> 45 3 . 1 . . 119.943 . 1 1 1 75 ALA N . . . . . . 78 . 18863 3 >> 46 1 . 1 . . 7.632 . 1 1 1 75 ALA H . . . . . . 77 . 18863 3 >> 46 3 . 1 . . 119.809 . 1 1 1 75 ALA N . . . . . . 78 . 18863 3 >> 47 1 . 1 . . 7.818 . 1 1 1 70 LEU H . . . . . . 79 . 18863 3 >> 47 3 . 1 . . 119.714 . 1 1 1 70 LEU N . . . . . . 80 . 18863 3 >> 48 1 . 1 . . 8.083 . 1 1 1 49 TRP H . . . . . . 81 . 18863 3 >> 48 3 . 1 . . 119.676 . 1 1 1 49 TRP N . . . . . . 82 . 18863 3 >> 49 1 . 1 . . 8.231 . 1 1 1 51 ILE H . . . . . . 83 . 18863 3 >> 49 3 . 1 . . 119.676 . 1 1 1 51 ILE N . . . . . . 84 . 18863 3 >> 50 1 . 1 . . 8.469 . 1 1 1 45 PHE H . . . . . . 85 . 18863 3 >> 50 3 . 1 . . 119.629 . 1 1 1 45 PHE N . . . . . . 86 . 18863 3 >> 51 1 . 1 . . 8.188 . 1 1 1 22 GLU H . . . . . . 87 . 18863 3 >> 51 3 . 1 . . 119.567 . 1 1 1 22 GLU N . . . . . . 88 . 18863 3 >> 52 1 . 1 . . 8.180 . 1 1 1 22 GLU H . . . . . . 87 . 18863 3 >> 52 3 . 1 . . 119.472 . 1 1 1 22 GLU N . . . . . . 88 . 18863 3 >> 53 1 . 1 . . 8.079 . 1 1 1 52 LYS H . . . . . . 89 . 18863 3 >> 53 3 . 1 . . 119.477 . 1 1 1 52 LYS N . . . . . . 90 . 18863 3 >> 54 1 . 1 . . 7.961 . 1 1 1 48 ALA H . . . . . . 91 . 18863 3 >> 54 3 . 1 . . 119.511 . 1 1 1 48 ALA N . . . . . . 92 . 18863 3 >> 55 1 . 1 . . 7.513 . 1 1 1 72 LEU H . . . . . . 93 . 18863 3 >> 55 3 . 1 . . 119.409 . 1 1 1 72 LEU N . . . . . . 94 . 18863 3 >> 56 1 . 1 . . 7.615 . 1 1 1 8 PHE H . . . . . . 95 . 18863 3 >> 56 3 . 1 . . 119.271 . 1 1 1 8 PHE N . . . . . . 96 . 18863 3 >> 57 1 . 1 . . 7.640 . 1 1 1 76 LEU H . . . . . . 97 . 18863 3 >> 57 3 . 1 . . 119.094 . 1 1 1 76 LEU N . . . . . . 98 . 18863 3 >> 58 1 . 1 . . 8.021 . 1 1 1 21 LEU H . . . . . . 99 . 18863 3 >> 58 3 . 1 . . 118.735 . 1 1 1 21 LEU N . . . . . . 100 . 18863 3 >> 59 1 . 1 . . 8.389 . 1 1 1 23 ASN H . . . . . . 101 . 18863 3 >> 59 3 . 1 . . 118.582 . 1 1 1 23 ASN N . . . . . . 102 . 18863 3 >> 60 1 . 1 . . 7.487 . 1 1 1 54 ARG H . . . . . . 105 . 18863 3 >> 60 3 . 1 . . 118.244 . 1 1 1 54 ARG N . . . . . . 106 . 18863 3 >> 61 1 . 1 . . 8.396 . 1 1 1 19 LYS H . . . . . . 107 . 18863 3 >> 61 3 . 1 . . 117.987 . 1 1 1 19 LYS N . . . . . . 108 . 18863 3 >> 62 1 . 1 . . 7.584 . 1 1 1 55 LEU H . . . . . . 111 . 18863 3 >> 62 3 . 1 . . 117.958 . 1 1 1 55 LEU N . . . . . . 112 . 18863 3 >> 63 1 . 1 . . 7.970 . 1 1 1 81 TYR H . . . . . . 113 . 18863 3 >> 63 3 . 1 . . 117.820 . 1 1 1 81 TYR N . . . . . . 114 . 18863 3 >> 64 1 . 1 . . 7.697 . 1 1 1 79 ARG H . . . . . . 115 . 18863 3 >> 64 3 . 1 . . 117.822 . 1 1 1 79 ARG N . . . . . . 116 . 18863 3 >> 65 1 . 1 . . 7.789 . 1 1 1 11 MET H . . . . . . 117 . 18863 3 >> 65 3 . 1 . . 117.832 . 1 1 1 11 MET N . . . . . . 118 . 18863 3 >> 66 1 . 1 . . 7.777 . 1 1 1 11 MET H . . . . . . 117 . 18863 3 >> 66 3 . 1 . . 117.762 . 1 1 1 11 MET N . . . . . . 118 . 18863 3 >> 67 1 . 1 . . 7.894 . 1 1 1 61 TYR H . . . . . . 119 . 18863 3 >> 67 3 . 1 . . 117.511 . 1 1 1 61 TYR N . . . . . . 120 . 18863 3 >> 68 1 . 1 . . 7.674 . 1 1 1 66 VAL H . . . . . . 121 . 18863 3 >> 68 3 . 1 . . 117.304 . 1 1 1 66 VAL N . . . . . . 122 . 18863 3 >> 69 1 . 1 . . 7.725 . 1 1 1 74 LEU H . . . . . . 125 . 18863 3 >> 70 1 . 1 . . 7.745 . 1 1 1 74 LEU H . . . . . . 125 . 18863 3 >> 70 2 . 1 . . 59.087 . 1 1 1 73 LEU CA . . . . . . 586 . 18863 3 >> 70 3 . 1 . . 117.157 . 1 1 1 74 LEU N . . . . . . 126 . 18863 3 >> 71 1 . 1 . . 7.931 . 1 1 1 7 GLU H . . . . . . 127 . 18863 3 >> 71 3 . 1 . . 116.924 . 1 1 1 7 GLU N . . . . . . 128 . 18863 3 >> 72 1 . 1 . . 7.944 . 1 1 1 7 GLU H . . . . . . 127 . 18863 3 >> 72 3 . 1 . . 116.851 . 1 1 1 7 GLU N . . . . . . 128 . 18863 3 >> 73 1 . 1 . . 7.982 . 1 1 1 64 TYR H . . . . . . 129 . 18863 3 >> 73 3 . 1 . . 116.726 . 1 1 1 64 TYR N . . . . . . 130 . 18863 3 >> 74 1 . 1 . . 7.886 . 1 1 1 63 PHE H . . . . . . 131 . 18863 3 >> 74 3 . 1 . . 116.717 . 1 1 1 63 PHE N . . . . . . 132 . 18863 3 >> 75 1 . 1 . . 7.881 . 1 1 1 63 PHE H . . . . . . 131 . 18863 3 >> 75 3 . 1 . . 116.662 . 1 1 1 63 PHE N . . . . . . 132 . 18863 3 >> 76 1 . 1 . . 8.392 . 1 1 1 36 HIS H . . . . . . 133 . 18863 3 >> 76 3 . 1 . . 116.093 . 1 1 1 36 HIS N . . . . . . 134 . 18863 3 >> 77 1 . 1 . . 7.061 . 1 1 1 69 LEU H . . . . . . 135 . 18863 3 >> 77 3 . 1 . . 116.076 . 1 1 1 69 LEU N . . . . . . 136 . 18863 3 >> 78 1 . 1 . . 8.159 . 1 1 1 31 SER H . . . . . . 137 . 18863 3 >> 78 3 . 1 . . 115.915 . 1 1 1 31 SER N . . . . . . 138 . 18863 3 >> 79 1 . 1 . . 8.119 . 1 1 1 5 SER H . . . . . . 139 . 18863 3 >> 79 3 . 1 . . 115.292 . 1 1 1 5 SER N . . . . . . 140 . 18863 3 >> 80 1 . 1 . . 8.154 . 1 1 1 40 SER H . . . . . . 141 . 18863 3 >> 80 3 . 1 . . 114.829 . 1 1 1 40 SER N . . . . . . 142 . 18863 3 >> 81 1 . 1 . . 7.574 . 1 1 1 86 SER H . . . . . . 143 . 18863 3 >> 81 3 . 1 . . 113.998 . 1 1 1 86 SER N . . . . . . 144 . 18863 3 >> 82 1 . 1 . . 8.601 . 1 1 1 37 GLY H . . . . . . 145 . 18863 3 >> 82 3 . 1 . . 110.403 . 1 1 1 37 GLY N . . . . . . 146 . 18863 3 >> 83 1 . 1 . . 7.520 . 1 1 1 23 ASN HD21 . . . . . . 151 . 18863 3 >> 83 3 . 1 . . 108.423 . 1 1 1 23 ASN ND2 . . . . . . 152 . 18863 3 >> 84 1 . 1 . . 6.743 . 1 1 1 23 ASN HD22 . . . . . . 153 . 18863 3 >> 84 3 . 1 . . 108.346 . 1 . . . . . . . . . . . 154 . 18863 3 >> 85 1 . 1 . . 8.633 . 1 1 1 34 GLY H . . . . . . 155 . 18863 3 >> 85 3 . 1 . . 107.512 . 1 1 1 34 GLY N . . . . . . 156 . 18863 3 >> 86 1 . 1 . . 8.056 . 1 1 1 4 GLY H . . . . . . 157 . 18863 3 >> 86 3 . 1 . . 107.314 . 1 1 1 4 GLY N . . . . . . 158 . 18863 3 >> 87 1 . 1 . . 7.926 . 1 1 1 65 GLY H . . . . . . 159 . 18863 3 >> 87 3 . 1 . . 106.528 . 1 1 1 65 GLY N . . . . . . 160 . 18863 3 >> 88 1 . 1 . . 8.026 . 1 . . . . . . . . . . . 161 . 18863 3 >> 88 3 . 1 . . 106.107 . 1 1 1 53 GLY N . . . . . . 162 . 18863 3 >> 89 1 . 1 . . 8.223 . 1 1 1 58 GLY H . . . . . . 163 . 18863 3 >> 89 3 . 1 . . 105.487 . 1 1 1 58 GLY N . . . . . . 164 . 18863 3 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2_3_4 _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 $methanol_CN _Sample_conditions_label $methanol_25c _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 18863 >> _Spectral_peak_list.ID 4 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $methanol_CN >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $methanol_25c >> _Spectral_peak_list.Experiment_ID 4 >> _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 . 3749.812 . . . 18863 4 >> 2 C 13 13C . 12500.000 . . . 18863 4 >> 3 N 15 15N . 2000.000 . . . 18863 4 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 18863 4 >> 2 1.0 . 18863 4 >> 3 1.0 . 18863 4 >> 4 1.0 . 18863 4 >> 5 1.0 . 18863 4 >> 6 1.0 . 18863 4 >> 7 1.0 . 18863 4 >> 8 1.0 . 18863 4 >> 9 1.0 . 18863 4 >> 10 1.0 . 18863 4 >> 11 1.0 . 18863 4 >> 12 1.0 . 18863 4 >> 13 1.0 . 18863 4 >> 14 1.0 . 18863 4 >> 15 1.0 . 18863 4 >> 16 1.0 . 18863 4 >> 17 1.0 . 18863 4 >> 18 1.0 . 18863 4 >> 19 1.0 . 18863 4 >> 20 1.0 . 18863 4 >> 21 1.0 . 18863 4 >> 22 1.0 . 18863 4 >> 23 1.0 . 18863 4 >> 24 1.0 . 18863 4 >> 25 1.0 . 18863 4 >> 26 1.0 . 18863 4 >> 27 1.0 . 18863 4 >> 28 1.0 . 18863 4 >> 29 1.0 . 18863 4 >> 30 1.0 . 18863 4 >> 31 1.0 . 18863 4 >> 32 1.0 . 18863 4 >> 33 1.0 . 18863 4 >> 34 1.0 . 18863 4 >> 35 1.0 . 18863 4 >> 36 1.0 . 18863 4 >> 37 1.0 . 18863 4 >> 38 1.0 . 18863 4 >> 39 1.0 . 18863 4 >> 40 1.0 . 18863 4 >> 41 1.0 . 18863 4 >> 42 1.0 . 18863 4 >> 43 1.0 . 18863 4 >> 44 1.0 . 18863 4 >> 45 1.0 . 18863 4 >> 46 1.0 . 18863 4 >> 47 1.0 . 18863 4 >> 48 1.0 . 18863 4 >> 49 1.0 . 18863 4 >> 50 1.0 . 18863 4 >> 51 1.0 . 18863 4 >> 52 1.0 . 18863 4 >> 53 1.0 . 18863 4 >> 54 1.0 . 18863 4 >> 55 1.0 . 18863 4 >> 56 1.0 . 18863 4 >> 57 1.0 . 18863 4 >> 58 1.0 . 18863 4 >> 59 1.0 . 18863 4 >> 60 1.0 . 18863 4 >> 61 1.0 . 18863 4 >> 62 1.0 . 18863 4 >> 63 1.0 . 18863 4 >> 64 1.0 . 18863 4 >> 65 1.0 . 18863 4 >> 66 1.0 . 18863 4 >> 67 1.0 . 18863 4 >> 68 1.0 . 18863 4 >> 69 1.0 . 18863 4 >> 70 1.0 . 18863 4 >> 71 1.0 . 18863 4 >> 72 1.0 . 18863 4 >> 73 1.0 . 18863 4 >> 74 1.0 . 18863 4 >> 75 1.0 . 18863 4 >> 76 1.0 . 18863 4 >> 77 1.0 . 18863 4 >> 78 1.0 . 18863 4 >> 79 1.0 . 18863 4 >> 80 1.0 . 18863 4 >> 81 1.0 . 18863 4 >> 82 1.0 . 18863 4 >> 83 1.0 . 18863 4 >> 84 1.0 . 18863 4 >> 85 1.0 . 18863 4 >> 86 1.0 . 18863 4 >> 87 1.0 . 18863 4 >> 88 1.0 . 18863 4 >> 89 1.0 . 18863 4 >> 90 1.0 . 18863 4 >> 91 1.0 . 18863 4 >> 92 1.0 . 18863 4 >> 93 1.0 . 18863 4 >> 94 1.0 . 18863 4 >> 95 1.0 . 18863 4 >> 96 1.0 . 18863 4 >> 97 1.0 . 18863 4 >> 98 1.0 . 18863 4 >> 99 1.0 . 18863 4 >> 100 1.0 . 18863 4 >> 101 1.0 . 18863 4 >> 102 1.0 . 18863 4 >> 103 1.0 . 18863 4 >> 104 1.0 . 18863 4 >> 105 1.0 . 18863 4 >> 106 1.0 . 18863 4 >> 107 1.0 . 18863 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 93122.8984375 . height 18863 4 >> 1 1169883.4599000 . volume 18863 4 >> 2 84133.6718750 . height 18863 4 >> 2 913364.5957030 . volume 18863 4 >> 3 100480.1718750 . height 18863 4 >> 3 1331045.6503900 . volume 18863 4 >> 4 432958.6250000 . height 18863 4 >> 4 6066695.9023400 . volume 18863 4 >> 5 147144.5781250 . height 18863 4 >> 5 1805439.5996100 . volume 18863 4 >> 6 87653.5078125 . height 18863 4 >> 6 992808.3721920 . volume 18863 4 >> 7 116516.5312500 . height 18863 4 >> 7 1905445.5390600 . volume 18863 4 >> 8 91464.6250000 . height 18863 4 >> 8 947860.9458010 . volume 18863 4 >> 9 99333.1640625 . height 18863 4 >> 9 965612.7076420 . volume 18863 4 >> 10 80747.6171875 . height 18863 4 >> 10 891140.3549800 . volume 18863 4 >> 11 106851.0781250 . height 18863 4 >> 11 1767046.5937500 . volume 18863 4 >> 12 223838.5625000 . height 18863 4 >> 12 3015976.8164100 . volume 18863 4 >> 13 483628.6562500 . height 18863 4 >> 13 6799319.0625000 . volume 18863 4 >> 14 175382.3750000 . height 18863 4 >> 14 2539252.5527300 . volume 18863 4 >> 15 406276.9062500 . height 18863 4 >> 15 6499893.6640600 . volume 18863 4 >> 16 144239.4218750 . height 18863 4 >> 16 2366132.3505900 . volume 18863 4 >> 17 84096.8671875 . height 18863 4 >> 17 1008231.3968500 . volume 18863 4 >> 18 88600.5234375 . height 18863 4 >> 18 1110561.9194300 . volume 18863 4 >> 19 128731.7343750 . height 18863 4 >> 19 2033330.9804700 . volume 18863 4 >> 20 125309.5625000 . height 18863 4 >> 20 1932075.1660200 . volume 18863 4 >> 21 281793.0000000 . height 18863 4 >> 21 3811900.1250000 . volume 18863 4 >> 22 114141.0390620 . height 18863 4 >> 22 1681260.0388200 . volume 18863 4 >> 23 763018.3125000 . height 18863 4 >> 23 10547612.6562000 . volume 18863 4 >> 24 269313.6250000 . height 18863 4 >> 24 3632019.6503900 . volume 18863 4 >> 25 137391.2656250 . height 18863 4 >> 25 2172472.3925800 . volume 18863 4 >> 26 527632.3125000 . height 18863 4 >> 26 6892212.3945300 . volume 18863 4 >> 27 230291.9687500 . height 18863 4 >> 27 3416241.5429700 . volume 18863 4 >> 28 199770.6250000 . height 18863 4 >> 28 2887242.0078100 . volume 18863 4 >> 29 225562.8750000 . height 18863 4 >> 29 4091605.7500000 . volume 18863 4 >> 30 227699.5312500 . height 18863 4 >> 30 3212048.3671900 . volume 18863 4 >> 31 162610.7968750 . height 18863 4 >> 31 2607895.7519500 . volume 18863 4 >> 32 173800.8125000 . height 18863 4 >> 32 2562656.1198700 . volume 18863 4 >> 33 89779.7812500 . height 18863 4 >> 33 1229000.7119100 . volume 18863 4 >> 34 186202.6406250 . height 18863 4 >> 34 2918462.2558600 . volume 18863 4 >> 35 135488.3906250 . height 18863 4 >> 35 2433161.1914100 . volume 18863 4 >> 36 128661.7656250 . height 18863 4 >> 36 1639405.7500000 . volume 18863 4 >> 37 245814.4375000 . height 18863 4 >> 37 3578814.6992200 . volume 18863 4 >> 38 97224.7968750 . height 18863 4 >> 38 1642220.5610400 . volume 18863 4 >> 39 208731.1406250 . height 18863 4 >> 39 3349120.3125000 . volume 18863 4 >> 40 101602.9375000 . height 18863 4 >> 40 1653916.6474600 . volume 18863 4 >> 41 134155.5156250 . height 18863 4 >> 41 1818605.8864700 . volume 18863 4 >> 42 163668.3750000 . height 18863 4 >> 42 2422370.0061000 . volume 18863 4 >> 43 118428.1796880 . height 18863 4 >> 43 1905223.0546900 . volume 18863 4 >> 44 85251.2656250 . height 18863 4 >> 44 1182905.0688500 . volume 18863 4 >> 45 233566.4375000 . height 18863 4 >> 45 2842059.9284700 . volume 18863 4 >> 46 83106.4453125 . height 18863 4 >> 46 970759.3255460 . volume 18863 4 >> 47 185402.3281250 . height 18863 4 >> 47 2676783.7265600 . volume 18863 4 >> 48 115261.2734380 . height 18863 4 >> 48 1829152.3222700 . volume 18863 4 >> 49 585849.8125000 . height 18863 4 >> 49 8273243.1796900 . volume 18863 4 >> 50 1717049.2500000 . height 18863 4 >> 50 23800277.1250000 . volume 18863 4 >> 51 1481024.5000000 . height 18863 4 >> 51 20573303.4688000 . volume 18863 4 >> 52 1498082.8750000 . height 18863 4 >> 52 22309794.3125000 . volume 18863 4 >> 53 728558.6875000 . height 18863 4 >> 53 10429411.8281000 . volume 18863 4 >> 54 243632.0468750 . height 18863 4 >> 54 4027885.2109400 . volume 18863 4 >> 55 1605854.1250000 . height 18863 4 >> 55 23032220.4062000 . volume 18863 4 >> 56 271505.7500000 . height 18863 4 >> 56 4440471.0781200 . volume 18863 4 >> 57 834339.7500000 . height 18863 4 >> 57 11640421.6406000 . volume 18863 4 >> 58 930405.6875000 . height 18863 4 >> 58 13772252.2188000 . volume 18863 4 >> 59 92944.8984375 . height 18863 4 >> 59 1411262.7143600 . volume 18863 4 >> 60 126665.9609380 . height 18863 4 >> 60 1813747.4529100 . volume 18863 4 >> 61 162239.7812500 . height 18863 4 >> 61 2293627.2773400 . volume 18863 4 >> 62 157784.8125000 . height 18863 4 >> 62 2220545.8759800 . volume 18863 4 >> 63 138531.7812500 . height 18863 4 >> 63 2288832.6386700 . volume 18863 4 >> 64 193027.5156250 . height 18863 4 >> 64 3167840.2421900 . volume 18863 4 >> 65 1086268.7500000 . height 18863 4 >> 65 14735809.4688000 . volume 18863 4 >> 66 104739.7656250 . height 18863 4 >> 66 2140130.5000000 . volume 18863 4 >> 67 231307.3125000 . height 18863 4 >> 67 3436514.1562500 . volume 18863 4 >> 68 333934.3125000 . height 18863 4 >> 68 4309380.6250000 . volume 18863 4 >> 69 113077.5781250 . height 18863 4 >> 69 1813138.5714100 . volume 18863 4 >> 70 161448.6406250 . height 18863 4 >> 70 2642722.4882800 . volume 18863 4 >> 71 85710.2890625 . height 18863 4 >> 71 1258355.6494100 . volume 18863 4 >> 72 221038.8281250 . height 18863 4 >> 72 3144763.5468800 . volume 18863 4 >> 73 204245.5000000 . height 18863 4 >> 73 2965942.0898400 . volume 18863 4 >> 74 105145.0625000 . height 18863 4 >> 74 1699259.4824200 . volume 18863 4 >> 75 1049972.7500000 . height 18863 4 >> 75 18579844.8438000 . volume 18863 4 >> 76 259012.8281250 . height 18863 4 >> 76 3733048.4140600 . volume 18863 4 >> 77 90604.8281250 . height 18863 4 >> 77 1043210.7771000 . volume 18863 4 >> 78 583467.1250000 . height 18863 4 >> 78 9020504.2656200 . volume 18863 4 >> 79 181256.1718750 . height 18863 4 >> 79 2609625.9160200 . volume 18863 4 >> 80 85411.7031250 . height 18863 4 >> 80 1156270.7109400 . volume 18863 4 >> 81 178027.3906250 . height 18863 4 >> 81 3397448.7656200 . volume 18863 4 >> 82 79956.1093750 . height 18863 4 >> 82 1019617.0507800 . volume 18863 4 >> 83 83598.2578125 . height 18863 4 >> 83 1249315.2226600 . volume 18863 4 >> 84 80749.8359375 . height 18863 4 >> 84 604555.5385740 . volume 18863 4 >> 85 483024.3437500 . height 18863 4 >> 85 7188247.9062500 . volume 18863 4 >> 86 137056.2968750 . height 18863 4 >> 86 1717382.9453100 . volume 18863 4 >> 87 621875.5000000 . height 18863 4 >> 87 9383306.0312500 . volume 18863 4 >> 88 910301.0625000 . height 18863 4 >> 88 14056689.0000000 . volume 18863 4 >> 89 83059.8593750 . height 18863 4 >> 89 526412.9562990 . volume 18863 4 >> 90 107341.4843750 . height 18863 4 >> 90 1905463.5781200 . volume 18863 4 >> 91 345596.0937500 . height 18863 4 >> 91 5445533.3750000 . volume 18863 4 >> 92 832824.0625000 . height 18863 4 >> 92 12605155.2969000 . volume 18863 4 >> 93 619183.5000000 . height 18863 4 >> 93 9190473.6367200 . volume 18863 4 >> 94 252999.5468750 . height 18863 4 >> 94 3304675.8007800 . volume 18863 4 >> 95 157062.3281250 . height 18863 4 >> 95 2009549.1269500 . volume 18863 4 >> 96 80271.3359375 . height 18863 4 >> 96 651308.8529050 . volume 18863 4 >> 97 697331.1250000 . height 18863 4 >> 97 9923976.6406200 . volume 18863 4 >> 98 203867.3750000 . height 18863 4 >> 98 2939148.3613300 . volume 18863 4 >> 99 598668.4375000 . height 18863 4 >> 99 8362722.4062500 . volume 18863 4 >> 100 1467024.8750000 . height 18863 4 >> 100 20401135.3281000 . volume 18863 4 >> 101 338827.7187500 . height 18863 4 >> 101 4506974.3125000 . volume 18863 4 >> 102 118377.8828120 . height 18863 4 >> 102 1424233.1606400 . volume 18863 4 >> 103 532776.0625000 . height 18863 4 >> 103 7144008.5156200 . volume 18863 4 >> 104 155634.0625000 . height 18863 4 >> 104 2238875.7519500 . volume 18863 4 >> 105 99404.0781250 . height 18863 4 >> 105 1014171.1147500 . volume 18863 4 >> 106 175442.8437500 . height 18863 4 >> 106 3080994.0195300 . volume 18863 4 >> 107 16248.8535156 . height 18863 4 >> 107 275585.7699890 . volume 18863 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 10.146 . . . . . . . . . . . . 8 18863 4 >> 1 2 53.176 . . . . . . . . . . . . 8 18863 4 >> 1 3 128.611 . . . . . . . . . . . . 8 18863 4 >> 2 1 9.748 . . . . . . . . . . . . 8 18863 4 >> 2 2 47.573 . . . . . . . . . . . . 8 18863 4 >> 2 3 128.255 . . . . . . . . . . . . 8 18863 4 >> 3 1 8.334 . . . . . . . . . . . . 8 18863 4 >> 3 2 19.276 . . . . . . . . . . . . 8 18863 4 >> 3 3 124.993 . . . . . . . . . . . . 8 18863 4 >> 4 1 7.935 . . . . . . . . . . . . 8 18863 4 >> 4 2 19.917 . . . . . . . . . . . . 8 18863 4 >> 4 3 123.928 . . . . . . . . . . . . 8 18863 4 >> 5 1 8.301 . . . . . . . . . . . . 8 18863 4 >> 5 2 19.414 . . . . . . . . . . . . 8 18863 4 >> 5 3 123.728 . . . . . . . . . . . . 8 18863 4 >> 6 1 8.314 . . . . . . . . . . . . 8 18863 4 >> 6 2 18.874 . . . . . . . . . . . . 8 18863 4 >> 6 3 123.779 . . . . . . . . . . . . 8 18863 4 >> 7 1 8.529 . . . . . . . . . . . . 8 18863 4 >> 7 2 19.371 . . . . . . . . . . . . 8 18863 4 >> 7 3 123.508 . . . . . . . . . . . . 8 18863 4 >> 8 1 8.534 . . . . . . . . . . . . 8 18863 4 >> 8 2 40.262 . . . . . . . . . . . . 8 18863 4 >> 8 3 123.411 . . . . . . . . . . . . 8 18863 4 >> 9 1 8.237 . . . . . . . . . . . . 8 18863 4 >> 9 2 39.745 . . . . . . . . . . . . 8 18863 4 >> 9 3 123.012 . . . . . . . . . . . . 8 18863 4 >> 10 1 8.131 . . . . . . . . . . . . 8 18863 4 >> 10 2 64.309 . . . . . . . . . . . . 8 18863 4 >> 10 3 123.151 . . . . . . . . . . . . 8 18863 4 >> 11 1 8.127 . . . . . . . . . . . . 8 18863 4 >> 11 2 33.351 . . . . . . . . . . . . 8 18863 4 >> 11 3 123.140 . . . . . . . . . . . . 8 18863 4 >> 12 1 8.010 . . . . . . . . . . . . 8 18863 4 >> 12 2 33.778 . . . . . . . . . . . . 8 18863 4 >> 12 3 122.750 . . . . . . . . . . . . 8 18863 4 >> 13 1 8.009 . . . . . . . . . . . . 8 18863 4 >> 13 2 29.066 . . . . . . . . . . . . 8 18863 4 >> 13 3 122.720 . . . . . . . . . . . . 8 18863 4 >> 14 1 8.161 . . . . . . . . . . . . 8 18863 4 >> 14 2 32.083 . . . . . . . . . . . . 8 18863 4 >> 14 3 122.703 . . . . . . . . . . . . 8 18863 4 >> 15 1 8.158 . . . . . . . . . . . . 8 18863 4 >> 15 2 19.996 . . . . . . . . . . . . 8 18863 4 >> 15 3 122.641 . . . . . . . . . . . . 8 18863 4 >> 16 1 8.105 . . . . . . . . . . . . 8 18863 4 >> 16 2 19.289 . . . . . . . . . . . . 8 18863 4 >> 16 3 122.690 . . . . . . . . . . . . 8 18863 4 >> 17 1 8.120 . . . . . . . . . . . . 8 18863 4 >> 17 2 40.020 . . . . . . . . . . . . 8 18863 4 >> 17 3 122.519 . . . . . . . . . . . . 8 18863 4 >> 18 1 8.025 . . . . . . . . . . . . 8 18863 4 >> 18 2 40.413 . . . . . . . . . . . . 8 18863 4 >> 18 3 122.298 . . . . . . . . . . . . 8 18863 4 >> 19 1 8.005 . . . . . . . . . . . . 8 18863 4 >> 19 2 20.224 . . . . . . . . . . . . 8 18863 4 >> 19 3 122.336 . . . . . . . . . . . . 8 18863 4 >> 20 1 8.027 . . . . . . . . . . . . 8 18863 4 >> 20 2 19.321 . . . . . . . . . . . . 8 18863 4 >> 20 3 122.368 . . . . . . . . . . . . 8 18863 4 >> 21 1 7.822 . . . . . . . . . . . . 8 18863 4 >> 21 2 18.888 . . . . . . . . . . . . 8 18863 4 >> 21 3 122.504 . . . . . . . . . . . . 8 18863 4 >> 22 1 7.822 . . . . . . . . . . . . 8 18863 4 >> 22 2 44.393 . . . . . . . . . . . . 8 18863 4 >> 22 3 122.381 . . . . . . . . . . . . 8 18863 4 >> 23 1 7.912 . . . . . . . . . . . . 8 18863 4 >> 23 2 19.888 . . . . . . . . . . . . 8 18863 4 >> 23 3 121.850 . . . . . . . . . . . . 8 18863 4 >> 24 1 7.914 . . . . . . . . . . . . 8 18863 4 >> 24 2 39.857 . . . . . . . . . . . . 8 18863 4 >> 24 3 121.787 . . . . . . . . . . . . 8 18863 4 >> 25 1 7.855 . . . . . . . . . . . . 8 18863 4 >> 25 2 39.614 . . . . . . . . . . . . 8 18863 4 >> 25 3 121.529 . . . . . . . . . . . . 8 18863 4 >> 26 1 7.854 . . . . . . . . . . . . 8 18863 4 >> 26 2 19.548 . . . . . . . . . . . . 8 18863 4 >> 26 3 121.594 . . . . . . . . . . . . 8 18863 4 >> 27 1 8.542 . . . . . . . . . . . . 8 18863 4 >> 27 2 38.640 . . . . . . . . . . . . 8 18863 4 >> 27 3 121.517 . . . . . . . . . . . . 8 18863 4 >> 28 1 8.291 . . . . . . . . . . . . 8 18863 4 >> 28 2 44.186 . . . . . . . . . . . . 8 18863 4 >> 28 3 121.326 . . . . . . . . . . . . 8 18863 4 >> 29 1 8.152 . . . . . . . . . . . . 8 18863 4 >> 29 2 33.602 . . . . . . . . . . . . 8 18863 4 >> 29 3 121.239 . . . . . . . . . . . . 8 18863 4 >> 30 1 7.951 . . . . . . . . . . . . 8 18863 4 >> 30 2 43.422 . . . . . . . . . . . . 8 18863 4 >> 30 3 121.028 . . . . . . . . . . . . 8 18863 4 >> 31 1 8.310 . . . . . . . . . . . . 8 18863 4 >> 31 2 43.324 . . . . . . . . . . . . 8 18863 4 >> 31 3 121.038 . . . . . . . . . . . . 8 18863 4 >> 32 1 8.574 . . . . . . . . . . . . 8 18863 4 >> 32 2 19.445 . . . . . . . . . . . . 8 18863 4 >> 32 3 120.998 . . . . . . . . . . . . 8 18863 4 >> 33 1 8.777 . . . . . . . . . . . . 8 18863 4 >> 33 2 56.400 . . . . . . . . . . . . 8 18863 4 >> 33 3 120.889 . . . . . . . . . . . . 8 18863 4 >> 34 1 8.806 . . . . . . . . . . . . 8 18863 4 >> 34 2 40.907 . . . . . . . . . . . . 8 18863 4 >> 34 3 120.794 . . . . . . . . . . . . 8 18863 4 >> 35 1 8.082 . . . . . . . . . . . . 8 18863 4 >> 35 2 43.064 . . . . . . . . . . . . 8 18863 4 >> 35 3 120.577 . . . . . . . . . . . . 8 18863 4 >> 36 1 8.051 . . . . . . . . . . . . 8 18863 4 >> 36 2 40.240 . . . . . . . . . . . . 8 18863 4 >> 36 3 120.660 . . . . . . . . . . . . 8 18863 4 >> 37 1 8.056 . . . . . . . . . . . . 8 18863 4 >> 37 2 33.017 . . . . . . . . . . . . 8 18863 4 >> 37 3 120.664 . . . . . . . . . . . . 8 18863 4 >> 38 1 8.066 . . . . . . . . . . . . 8 18863 4 >> 38 2 19.926 . . . . . . . . . . . . 8 18863 4 >> 38 3 120.369 . . . . . . . . . . . . 8 18863 4 >> 39 1 8.397 . . . . . . . . . . . . 8 18863 4 >> 39 2 38.604 . . . . . . . . . . . . 8 18863 4 >> 39 3 120.630 . . . . . . . . . . . . 8 18863 4 >> 40 1 8.203 . . . . . . . . . . . . 8 18863 4 >> 40 2 39.909 . . . . . . . . . . . . 8 18863 4 >> 40 3 120.598 . . . . . . . . . . . . 8 18863 4 >> 41 1 8.242 . . . . . . . . . . . . 8 18863 4 >> 41 2 19.185 . . . . . . . . . . . . 8 18863 4 >> 41 3 120.614 . . . . . . . . . . . . 8 18863 4 >> 42 1 8.199 . . . . . . . . . . . . 8 18863 4 >> 42 2 38.843 . . . . . . . . . . . . 8 18863 4 >> 42 3 120.422 . . . . . . . . . . . . 8 18863 4 >> 43 1 8.351 . . . . . . . . . . . . 8 18863 4 >> 43 2 43.514 . . . . . . . . . . . . 8 18863 4 >> 43 3 120.520 . . . . . . . . . . . . 8 18863 4 >> 44 1 8.339 . . . . . . . . . . . . 8 18863 4 >> 44 2 40.133 . . . . . . . . . . . . 8 18863 4 >> 44 3 120.512 . . . . . . . . . . . . 8 18863 4 >> 45 1 8.511 . . . . . . . . . . . . 8 18863 4 >> 45 2 40.254 . . . . . . . . . . . . 8 18863 4 >> 45 3 120.393 . . . . . . . . . . . . 8 18863 4 >> 46 1 8.509 . . . . . . . . . . . . 8 18863 4 >> 46 2 43.919 . . . . . . . . . . . . 8 18863 4 >> 46 3 120.301 . . . . . . . . . . . . 8 18863 4 >> 47 1 8.285 . . . . . . . . . . . . 8 18863 4 >> 47 2 38.819 . . . . . . . . . . . . 8 18863 4 >> 47 3 120.303 . . . . . . . . . . . . 8 18863 4 >> 48 1 8.294 . . . . . . . . . . . . 8 18863 4 >> 48 2 33.320 . . . . . . . . . . . . 8 18863 4 >> 48 3 120.350 . . . . . . . . . . . . 8 18863 4 >> 49 1 8.031 . . . . . . . . . . . . 8 18863 4 >> 49 2 19.723 . . . . . . . . . . . . 8 18863 4 >> 49 3 120.270 . . . . . . . . . . . . 8 18863 4 >> 50 1 7.787 . . . . . . . . . . . . 8 18863 4 >> 50 2 20.189 . . . . . . . . . . . . 8 18863 4 >> 50 3 120.322 . . . . . . . . . . . . 8 18863 4 >> 51 1 7.878 . . . . . . . . . . . . 8 18863 4 >> 51 2 19.924 . . . . . . . . . . . . 8 18863 4 >> 51 3 120.284 . . . . . . . . . . . . 8 18863 4 >> 52 1 8.195 . . . . . . . . . . . . 8 18863 4 >> 52 2 44.168 . . . . . . . . . . . . 8 18863 4 >> 52 3 120.134 . . . . . . . . . . . . 8 18863 4 >> 53 1 8.195 . . . . . . . . . . . . 8 18863 4 >> 53 2 33.670 . . . . . . . . . . . . 8 18863 4 >> 53 3 120.119 . . . . . . . . . . . . 8 18863 4 >> 54 1 8.538 . . . . . . . . . . . . 8 18863 4 >> 54 2 38.926 . . . . . . . . . . . . 8 18863 4 >> 54 3 120.072 . . . . . . . . . . . . 8 18863 4 >> 55 1 7.717 . . . . . . . . . . . . 8 18863 4 >> 55 2 20.426 . . . . . . . . . . . . 8 18863 4 >> 55 3 119.863 . . . . . . . . . . . . 8 18863 4 >> 56 1 7.627 . . . . . . . . . . . . 8 18863 4 >> 56 2 43.950 . . . . . . . . . . . . 8 18863 4 >> 56 3 119.795 . . . . . . . . . . . . 8 18863 4 >> 57 1 7.629 . . . . . . . . . . . . 8 18863 4 >> 57 2 20.584 . . . . . . . . . . . . 8 18863 4 >> 57 3 119.874 . . . . . . . . . . . . 8 18863 4 >> 58 1 7.820 . . . . . . . . . . . . 8 18863 4 >> 58 2 43.059 . . . . . . . . . . . . 8 18863 4 >> 58 3 119.695 . . . . . . . . . . . . 8 18863 4 >> 59 1 8.082 . . . . . . . . . . . . 8 18863 4 >> 59 2 30.602 . . . . . . . . . . . . 8 18863 4 >> 59 3 119.811 . . . . . . . . . . . . 8 18863 4 >> 60 1 8.227 . . . . . . . . . . . . 8 18863 4 >> 60 2 39.321 . . . . . . . . . . . . 8 18863 4 >> 60 3 119.669 . . . . . . . . . . . . 8 18863 4 >> 61 1 8.467 . . . . . . . . . . . . 8 18863 4 >> 61 2 38.730 . . . . . . . . . . . . 8 18863 4 >> 61 3 119.652 . . . . . . . . . . . . 8 18863 4 >> 62 1 8.182 . . . . . . . . . . . . 8 18863 4 >> 62 2 29.438 . . . . . . . . . . . . 8 18863 4 >> 62 3 119.496 . . . . . . . . . . . . 8 18863 4 >> 63 1 8.075 . . . . . . . . . . . . 8 18863 4 >> 63 2 33.945 . . . . . . . . . . . . 8 18863 4 >> 63 3 119.410 . . . . . . . . . . . . 8 18863 4 >> 64 1 7.963 . . . . . . . . . . . . 8 18863 4 >> 64 2 19.411 . . . . . . . . . . . . 8 18863 4 >> 64 3 119.608 . . . . . . . . . . . . 8 18863 4 >> 65 1 7.512 . . . . . . . . . . . . 8 18863 4 >> 65 2 43.339 . . . . . . . . . . . . 8 18863 4 >> 65 3 119.412 . . . . . . . . . . . . 8 18863 4 >> 66 1 7.634 . . . . . . . . . . . . 8 18863 4 >> 66 2 43.266 . . . . . . . . . . . . 8 18863 4 >> 66 3 119.230 . . . . . . . . . . . . 8 18863 4 >> 67 1 7.620 . . . . . . . . . . . . 8 18863 4 >> 67 2 40.032 . . . . . . . . . . . . 8 18863 4 >> 67 3 119.281 . . . . . . . . . . . . 8 18863 4 >> 68 1 7.636 . . . . . . . . . . . . 8 18863 4 >> 68 2 20.551 . . . . . . . . . . . . 8 18863 4 >> 68 3 119.113 . . . . . . . . . . . . 8 18863 4 >> 69 1 8.039 . . . . . . . . . . . . 8 18863 4 >> 69 2 43.653 . . . . . . . . . . . . 8 18863 4 >> 69 3 118.831 . . . . . . . . . . . . 8 18863 4 >> 70 1 8.026 . . . . . . . . . . . . 8 18863 4 >> 70 2 43.240 . . . . . . . . . . . . 8 18863 4 >> 70 3 118.744 . . . . . . . . . . . . 8 18863 4 >> 71 1 8.028 . . . . . . . . . . . . 8 18863 4 >> 71 2 19.394 . . . . . . . . . . . . 8 18863 4 >> 71 3 118.859 . . . . . . . . . . . . 8 18863 4 >> 72 1 8.390 . . . . . . . . . . . . 8 18863 4 >> 72 2 39.593 . . . . . . . . . . . . 8 18863 4 >> 72 3 118.607 . . . . . . . . . . . . 8 18863 4 >> 73 1 7.486 . . . . . . . . . . . . 8 18863 4 >> 73 2 31.466 . . . . . . . . . . . . 8 18863 4 >> 73 3 118.290 . . . . . . . . . . . . 8 18863 4 >> 74 1 8.399 . . . . . . . . . . . . 8 18863 4 >> 74 2 28.429 . . . . . . . . . . . . 8 18863 4 >> 74 3 118.021 . . . . . . . . . . . . 8 18863 4 >> 75 1 7.829 . . . . . . . . . . . . 8 18863 4 >> 75 2 42.991 . . . . . . . . . . . . 8 18863 4 >> 75 3 118.053 . . . . . . . . . . . . 8 18863 4 >> 76 1 7.586 . . . . . . . . . . . . 8 18863 4 >> 76 2 44.367 . . . . . . . . . . . . 8 18863 4 >> 76 3 117.998 . . . . . . . . . . . . 8 18863 4 >> 77 1 7.986 . . . . . . . . . . . . 8 18863 4 >> 77 2 20.302 . . . . . . . . . . . . 8 18863 4 >> 77 3 117.996 . . . . . . . . . . . . 8 18863 4 >> 78 1 7.964 . . . . . . . . . . . . 8 18863 4 >> 78 2 39.993 . . . . . . . . . . . . 8 18863 4 >> 78 3 117.857 . . . . . . . . . . . . 8 18863 4 >> 79 1 7.965 . . . . . . . . . . . . 8 18863 4 >> 79 2 19.921 . . . . . . . . . . . . 8 18863 4 >> 79 3 117.822 . . . . . . . . . . . . 8 18863 4 >> 80 1 7.666 . . . . . . . . . . . . 8 18863 4 >> 80 2 49.474 . . . . . . . . . . . . 8 18863 4 >> 80 3 118.050 . . . . . . . . . . . . 8 18863 4 >> 81 1 7.794 . . . . . . . . . . . . 8 18863 4 >> 81 2 43.130 . . . . . . . . . . . . 8 18863 4 >> 81 3 117.705 . . . . . . . . . . . . 8 18863 4 >> 82 1 7.786 . . . . . . . . . . . . 8 18863 4 >> 82 2 34.238 . . . . . . . . . . . . 8 18863 4 >> 82 3 117.812 . . . . . . . . . . . . 8 18863 4 >> 83 1 7.776 . . . . . . . . . . . . 8 18863 4 >> 83 2 19.789 . . . . . . . . . . . . 8 18863 4 >> 83 3 117.695 . . . . . . . . . . . . 8 18863 4 >> 84 1 7.792 . . . . . . . . . . . . 8 18863 4 >> 84 2 21.024 . . . . . . . . . . . . 8 18863 4 >> 84 3 117.610 . . . . . . . . . . . . 8 18863 4 >> 85 1 7.889 . . . . . . . . . . . . 8 18863 4 >> 85 2 39.779 . . . . . . . . . . . . 8 18863 4 >> 85 3 117.498 . . . . . . . . . . . . 8 18863 4 >> 86 1 7.890 . . . . . . . . . . . . 8 18863 4 >> 86 2 19.807 . . . . . . . . . . . . 8 18863 4 >> 86 3 117.494 . . . . . . . . . . . . 8 18863 4 >> 87 1 7.681 . . . . . . . . . . . . 8 18863 4 >> 87 2 34.051 . . . . . . . . . . . . 8 18863 4 >> 87 3 117.312 . . . . . . . . . . . . 8 18863 4 >> 88 1 7.744 . . . . . . . . . . . . 8 18863 4 >> 88 2 43.742 . . . . . . . . . . . . 8 18863 4 >> 88 3 117.200 . . . . . . . . . . . . 8 18863 4 >> 89 1 7.903 . . . . . . . . . . . . 8 18863 4 >> 89 2 51.166 . . . . . . . . . . . . 8 18863 4 >> 89 3 116.950 . . . . . . . . . . . . 8 18863 4 >> 90 1 7.950 . . . . . . . . . . . . 8 18863 4 >> 90 2 33.018 . . . . . . . . . . . . 8 18863 4 >> 90 3 116.969 . . . . . . . . . . . . 8 18863 4 >> 91 1 7.947 . . . . . . . . . . . . 8 18863 4 >> 91 2 29.324 . . . . . . . . . . . . 8 18863 4 >> 91 3 116.982 . . . . . . . . . . . . 8 18863 4 >> 92 1 7.979 . . . . . . . . . . . . 8 18863 4 >> 92 2 40.328 . . . . . . . . . . . . 8 18863 4 >> 92 3 116.809 . . . . . . . . . . . . 8 18863 4 >> 93 1 7.880 . . . . . . . . . . . . 8 18863 4 >> 93 2 40.911 . . . . . . . . . . . . 8 18863 4 >> 93 3 116.638 . . . . . . . . . . . . 8 18863 4 >> 94 1 7.879 . . . . . . . . . . . . 8 18863 4 >> 94 2 19.526 . . . . . . . . . . . . 8 18863 4 >> 94 3 116.585 . . . . . . . . . . . . 8 18863 4 >> 95 1 8.395 . . . . . . . . . . . . 8 18863 4 >> 95 2 29.699 . . . . . . . . . . . . 8 18863 4 >> 95 3 116.128 . . . . . . . . . . . . 8 18863 4 >> 96 1 8.371 . . . . . . . . . . . . 8 18863 4 >> 96 2 32.094 . . . . . . . . . . . . 8 18863 4 >> 96 3 115.930 . . . . . . . . . . . . 8 18863 4 >> 97 1 7.075 . . . . . . . . . . . . 8 18863 4 >> 97 2 43.197 . . . . . . . . . . . . 8 18863 4 >> 97 3 116.132 . . . . . . . . . . . . 8 18863 4 >> 98 1 7.074 . . . . . . . . . . . . 8 18863 4 >> 98 2 32.592 . . . . . . . . . . . . 8 18863 4 >> 98 3 116.086 . . . . . . . . . . . . 8 18863 4 >> 99 1 8.129 . . . . . . . . . . . . 8 18863 4 >> 99 2 65.126 . . . . . . . . . . . . 8 18863 4 >> 99 3 115.353 . . . . . . . . . . . . 8 18863 4 >> 100 1 7.588 . . . . . . . . . . . . 8 18863 4 >> 100 2 65.833 . . . . . . . . . . . . 8 18863 4 >> 100 3 114.047 . . . . . . . . . . . . 8 18863 4 >> 101 1 7.588 . . . . . . . . . . . . 8 18863 4 >> 101 2 20.456 . . . . . . . . . . . . 8 18863 4 >> 101 3 114.055 . . . . . . . . . . . . 8 18863 4 >> 102 1 6.746 . . . . . . . . . . . . 8 18863 4 >> 102 2 58.455 . . . . . . . . . . . . 8 18863 4 >> 102 3 108.433 . . . . . . . . . . . . 8 18863 4 >> 103 1 8.066 . . . . . . . . . . . . 8 18863 4 >> 103 2 43.924 . . . . . . . . . . . . 8 18863 4 >> 103 3 107.339 . . . . . . . . . . . . 8 18863 4 >> 104 1 7.925 . . . . . . . . . . . . 8 18863 4 >> 104 2 40.045 . . . . . . . . . . . . 8 18863 4 >> 104 3 106.583 . . . . . . . . . . . . 8 18863 4 >> 105 1 7.940 . . . . . . . . . . . . 8 18863 4 >> 105 2 39.128 . . . . . . . . . . . . 8 18863 4 >> 105 3 106.498 . . . . . . . . . . . . 8 18863 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 . . 10.146 . 1 1 1 67 TRP HE1 . . . . . . 1 . 18863 4 >> 1 3 . 1 . . 128.611 . 1 1 1 67 TRP NE1 . . . . . . 2 . 18863 4 >> 2 1 . 1 . . 9.748 . 1 1 1 49 TRP HE1 . . . . . . 3 . 18863 4 >> 2 3 . 1 . . 128.255 . 1 1 1 49 TRP NE1 . . . . . . 4 . 18863 4 >> 3 1 . 1 . . 8.334 . 1 1 1 35 ALA H . . . . . . 5 . 18863 4 >> 3 3 . 1 . . 124.993 . 1 1 1 35 ALA N . . . . . . 6 . 18863 4 >> 4 1 . 1 . . 7.935 . 1 1 1 59 ALA H . . . . . . 7 . 18863 4 >> 4 3 . 1 . . 123.928 . 1 1 1 59 ALA N . . . . . . 8 . 18863 4 >> 5 1 . 1 . . 8.301 . 1 1 1 33 ALA H . . . . . . 9 . 18863 4 >> 5 3 . 1 . . 123.728 . 1 1 1 33 ALA N . . . . . . 10 . 18863 4 >> 6 1 . 1 . . 8.314 . 1 1 1 33 ALA H . . . . . . 9 . 18863 4 >> 6 3 . 1 . . 123.779 . 1 1 1 33 ALA N . . . . . . 10 . 18863 4 >> 7 1 . 1 . . 8.529 . 1 1 1 29 ALA H . . . . . . 11 . 18863 4 >> 7 3 . 1 . . 123.508 . 1 1 1 29 ALA N . . . . . . 12 . 18863 4 >> 8 1 . 1 . . 8.534 . 1 1 1 29 ALA H . . . . . . 11 . 18863 4 >> 8 3 . 1 . . 123.411 . 1 1 1 29 ALA N . . . . . . 12 . 18863 4 >> 9 1 . 1 . . 8.237 . 1 1 1 38 ILE H . . . . . . 13 . 18863 4 >> 9 3 . 1 . . 123.012 . 1 1 1 38 ILE N . . . . . . 14 . 18863 4 >> 10 1 . 1 . . 8.131 . 1 1 1 32 VAL H . . . . . . 15 . 18863 4 >> 10 3 . 1 . . 123.151 . 1 1 1 32 VAL N . . . . . . 16 . 18863 4 >> 11 1 . 1 . . 8.127 . 1 1 1 32 VAL H . . . . . . 15 . 18863 4 >> 11 3 . 1 . . 123.140 . 1 1 1 32 VAL N . . . . . . 16 . 18863 4 >> 12 1 . 1 . . 8.010 . 1 1 1 67 TRP H . . . . . . 19 . 18863 4 >> 12 3 . 1 . . 122.750 . 1 1 1 67 TRP N . . . . . . 20 . 18863 4 >> 13 1 . 1 . . 8.009 . 1 1 1 67 TRP H . . . . . . 19 . 18863 4 >> 13 3 . 1 . . 122.720 . 1 1 1 67 TRP N . . . . . . 20 . 18863 4 >> 14 1 . 1 . . 8.161 . 1 1 1 80 ALA H . . . . . . 21 . 18863 4 >> 14 3 . 1 . . 122.703 . 1 1 1 80 ALA N . . . . . . 22 . 18863 4 >> 15 1 . 1 . . 8.158 . 1 1 1 80 ALA H . . . . . . 21 . 18863 4 >> 15 3 . 1 . . 122.641 . 1 1 1 80 ALA N . . . . . . 22 . 18863 4 >> 16 1 . 1 . . 8.105 . 1 1 1 47 ALA H . . . . . . 23 . 18863 4 >> 16 3 . 1 . . 122.690 . 1 1 1 47 ALA N . . . . . . 24 . 18863 4 >> 17 1 . 1 . . 8.120 . 1 1 1 47 ALA H . . . . . . 23 . 18863 4 >> 17 3 . 1 . . 122.519 . 1 1 1 47 ALA N . . . . . . 24 . 18863 4 >> 18 1 . 1 . . 8.025 . 1 1 1 9 ALA H . . . . . . 25 . 18863 4 >> 18 3 . 1 . . 122.298 . 1 1 1 9 ALA N . . . . . . 26 . 18863 4 >> 19 1 . 1 . . 8.005 . 1 1 1 9 ALA H . . . . . . 25 . 18863 4 >> 19 3 . 1 . . 122.336 . 1 1 1 9 ALA N . . . . . . 26 . 18863 4 >> 20 1 . 1 . . 8.027 . 1 1 1 9 ALA H . . . . . . 25 . 18863 4 >> 20 3 . 1 . . 122.368 . 1 1 1 9 ALA N . . . . . . 26 . 18863 4 >> 21 1 . 1 . . 7.822 . 1 1 1 56 ALA H . . . . . . 27 . 18863 4 >> 21 3 . 1 . . 122.504 . 1 1 1 56 ALA N . . . . . . 28 . 18863 4 >> 22 1 . 1 . . 7.822 . 1 1 1 56 ALA H . . . . . . 27 . 18863 4 >> 22 3 . 1 . . 122.381 . 1 1 1 56 ALA N . . . . . . 28 . 18863 4 >> 23 1 . 1 . . 7.912 . 1 1 1 82 ALA H . . . . . . 29 . 18863 4 >> 23 3 . 1 . . 121.850 . 1 1 1 82 ALA N . . . . . . 30 . 18863 4 >> 24 1 . 1 . . 7.914 . 1 1 1 82 ALA H . . . . . . 29 . 18863 4 >> 24 3 . 1 . . 121.787 . 1 1 1 82 ALA N . . . . . . 30 . 18863 4 >> 25 1 . 1 . . 7.855 . 1 1 1 62 ALA H . . . . . . 33 . 18863 4 >> 25 3 . 1 . . 121.529 . 1 1 1 62 ALA N . . . . . . 34 . 18863 4 >> 26 1 . 1 . . 7.854 . 1 1 1 62 ALA H . . . . . . 33 . 18863 4 >> 26 3 . 1 . . 121.594 . 1 1 1 62 ALA N . . . . . . 34 . 18863 4 >> 27 1 . 1 . . 8.542 . 1 . . . . . . . . . . . 35 . 18863 4 >> 27 3 . 1 . . 121.517 . 1 . . . . . . . . . . . 36 . 18863 4 >> 28 1 . 1 . . 8.291 . 1 1 1 3 LEU H . . . . . . 37 . 18863 4 >> 28 3 . 1 . . 121.326 . 1 1 1 3 LEU N . . . . . . 38 . 18863 4 >> 29 1 . 1 . . 8.152 . 1 1 1 44 PHE H . . . . . . 39 . 18863 4 >> 29 3 . 1 . . 121.239 . 1 1 1 44 PHE N . . . . . . 40 . 18863 4 >> 30 1 . 1 . . 7.951 . 1 1 1 24 LEU H . . . . . . 43 . 18863 4 >> 30 2 . 1 . . 43.422 . 1 1 1 24 LEU CB . . . . . . 600 . 18863 4 >> 30 3 . 1 . . 121.028 . 1 1 1 24 LEU N . . . . . . 44 . 18863 4 >> 31 1 . 1 . . 8.310 . 1 1 1 27 LEU H . . . . . . 45 . 18863 4 >> 31 3 . 1 . . 121.038 . 1 1 1 27 LEU N . . . . . . 46 . 18863 4 >> 32 1 . 1 . . 8.574 . 1 1 1 30 ALA H . . . . . . 47 . 18863 4 >> 32 3 . 1 . . 120.998 . 1 1 1 30 ALA N . . . . . . 48 . 18863 4 >> 33 1 . 1 . . 8.777 . 1 1 1 18 ASP H . . . . . . 49 . 18863 4 >> 33 3 . 1 . . 120.889 . 1 1 1 18 ASP N . . . . . . 50 . 18863 4 >> 34 1 . 1 . . 8.806 . 1 1 1 18 ASP H . . . . . . 49 . 18863 4 >> 34 3 . 1 . . 120.794 . 1 1 1 18 ASP N . . . . . . 50 . 18863 4 >> 35 1 . 1 . . 8.082 . 1 1 1 39 LEU H . . . . . . 51 . 18863 4 >> 35 3 . 1 . . 120.577 . 1 1 1 39 LEU N . . . . . . 52 . 18863 4 >> 36 1 . 2 . . 8.051 . 1 1 1 17 ASP H . . . . . . 228 . 18863 4 >> 36 3 . 2 . . 120.660 . 1 1 1 17 ASP N . . . . . . 229 . 18863 4 >> 37 1 . 1 . . 8.056 . 1 1 1 39 LEU H . . . . . . 51 . 18863 4 >> 37 3 . 1 . . 120.664 . 1 1 1 39 LEU N . . . . . . 52 . 18863 4 >> 38 1 . 1 . . 8.066 . 1 1 1 39 LEU H . . . . . . 51 . 18863 4 >> 39 1 . 1 . . 8.397 . 1 . . . . . . . . . . . 53 . 18863 4 >> 39 3 . 1 . . 120.630 . 1 . . . . . . . . . . . 54 . 18863 4 >> 40 1 . 1 . . 8.203 . 1 1 1 50 TYR H . . . . . . 55 . 18863 4 >> 40 3 . 1 . . 120.598 . 1 1 1 50 TYR N . . . . . . 56 . 18863 4 >> 41 1 . 1 . . 8.242 . 1 1 1 10 ALA H . . . . . . 57 . 18863 4 >> 41 3 . 1 . . 120.614 . 1 1 1 50 TYR N . . . . . . 56 . 18863 4 >> 42 1 . 1 . . 8.199 . 1 1 1 50 TYR H . . . . . . 55 . 18863 4 >> 42 3 . 1 . . 120.422 . 1 1 1 50 TYR N . . . . . . 56 . 18863 4 >> 43 1 . 1 . . 8.351 . 1 1 1 42 LEU H . . . . . . 59 . 18863 4 >> 43 3 . 1 . . 120.520 . 1 1 1 42 LEU N . . . . . . 60 . 18863 4 >> 44 1 . 1 . . 8.339 . 1 1 1 42 LEU H . . . . . . 59 . 18863 4 >> 44 3 . 1 . . 120.512 . 1 1 1 42 LEU N . . . . . . 60 . 18863 4 >> 45 1 . 1 . . 8.511 . 1 1 1 28 ASN H . . . . . . 61 . 18863 4 >> 45 3 . 1 . . 120.393 . 1 1 1 28 ASN N . . . . . . 62 . 18863 4 >> 46 1 . 1 . . 8.509 . 1 1 1 28 ASN H . . . . . . 61 . 18863 4 >> 46 3 . 1 . . 120.301 . 1 1 1 28 ASN N . . . . . . 62 . 18863 4 >> 47 1 . 1 . . 8.285 . 1 1 1 43 VAL H . . . . . . 63 . 18863 4 >> 47 3 . 1 . . 120.303 . 1 1 1 43 VAL N . . . . . . 64 . 18863 4 >> 48 1 . 1 . . 8.294 . 1 1 1 43 VAL H . . . . . . 63 . 18863 4 >> 48 3 . 1 . . 120.350 . 1 1 1 43 VAL N . . . . . . 64 . 18863 4 >> 49 1 . 1 . . 8.031 . 1 1 1 60 ALA H . . . . . . 65 . 18863 4 >> 49 3 . 1 . . 120.270 . 1 1 1 60 ALA N . . . . . . 66 . 18863 4 >> 50 1 . 1 . . 7.787 . 1 1 1 84 ALA H . . . . . . 67 . 18863 4 >> 50 3 . 1 . . 120.322 . 1 1 1 84 ALA N . . . . . . 68 . 18863 4 >> 51 1 . 1 . . 7.878 . 1 1 1 83 ALA H . . . . . . 69 . 18863 4 >> 51 3 . 1 . . 120.284 . 1 1 1 83 ALA N . . . . . . 70 . 18863 4 >> 52 1 . 1 . . 8.195 . 1 1 1 12 ASP H . . . . . . 71 . 18863 4 >> 52 3 . 1 . . 120.134 . 1 1 1 12 ASP N . . . . . . 72 . 18863 4 >> 53 1 . 1 . . 8.195 . 1 1 1 12 ASP H . . . . . . 71 . 18863 4 >> 53 3 . 1 . . 120.119 . 1 1 1 12 ASP N . . . . . . 72 . 18863 4 >> 54 1 . 1 . . 8.538 . 1 . . . . . . . . . . . 73 . 18863 4 >> 54 3 . 1 . . 120.072 . 1 . . . . . . . . . . . 74 . 18863 4 >> 55 1 . 1 . . 7.717 . 1 1 1 85 ALA H . . . . . . 75 . 18863 4 >> 55 3 . 1 . . 119.863 . 1 1 1 85 ALA N . . . . . . 76 . 18863 4 >> 56 1 . 1 . . 7.627 . 1 1 1 75 ALA H . . . . . . 77 . 18863 4 >> 56 3 . 1 . . 119.795 . 1 1 1 75 ALA N . . . . . . 78 . 18863 4 >> 57 1 . 1 . . 7.629 . 1 1 1 75 ALA H . . . . . . 77 . 18863 4 >> 57 3 . 1 . . 119.874 . 1 1 1 75 ALA N . . . . . . 78 . 18863 4 >> 58 1 . 1 . . 7.820 . 1 1 1 70 LEU H . . . . . . 79 . 18863 4 >> 58 2 . 1 . . 43.059 . 1 1 1 70 LEU CB . . . . . . 592 . 18863 4 >> 58 3 . 1 . . 119.695 . 1 1 1 70 LEU N . . . . . . 80 . 18863 4 >> 59 1 . 1 . . 8.082 . 1 1 1 49 TRP H . . . . . . 81 . 18863 4 >> 59 3 . 1 . . 119.811 . 1 1 1 49 TRP N . . . . . . 82 . 18863 4 >> 60 1 . 1 . . 8.227 . 1 1 1 51 ILE H . . . . . . 83 . 18863 4 >> 60 3 . 1 . . 119.669 . 1 1 1 51 ILE N . . . . . . 84 . 18863 4 >> 61 1 . 1 . . 8.467 . 1 1 1 45 PHE H . . . . . . 85 . 18863 4 >> 61 3 . 1 . . 119.652 . 1 1 1 45 PHE N . . . . . . 86 . 18863 4 >> 62 1 . 1 . . 8.182 . 1 1 1 22 GLU H . . . . . . 87 . 18863 4 >> 62 3 . 1 . . 119.496 . 1 1 1 22 GLU N . . . . . . 88 . 18863 4 >> 63 1 . 1 . . 8.075 . 1 1 1 52 LYS H . . . . . . 89 . 18863 4 >> 63 3 . 1 . . 119.410 . 1 1 1 52 LYS N . . . . . . 90 . 18863 4 >> 64 1 . 1 . . 7.963 . 1 1 1 48 ALA H . . . . . . 91 . 18863 4 >> 64 3 . 1 . . 119.608 . 1 1 1 48 ALA N . . . . . . 92 . 18863 4 >> 65 1 . 1 . . 7.512 . 1 1 1 72 LEU H . . . . . . 93 . 18863 4 >> 65 2 . 1 . . 43.339 . 1 1 1 72 LEU CB . . . . . . 590 . 18863 4 >> 65 3 . 1 . . 119.412 . 1 1 1 72 LEU N . . . . . . 94 . 18863 4 >> 66 1 . 1 . . 7.634 . 1 1 1 8 PHE H . . . . . . 95 . 18863 4 >> 66 3 . 1 . . 119.230 . 1 1 1 8 PHE N . . . . . . 96 . 18863 4 >> 67 1 . 1 . . 7.620 . 1 1 1 8 PHE H . . . . . . 95 . 18863 4 >> 67 3 . 1 . . 119.281 . 1 1 1 8 PHE N . . . . . . 96 . 18863 4 >> 68 1 . 1 . . 7.636 . 1 1 1 76 LEU H . . . . . . 97 . 18863 4 >> 68 3 . 1 . . 119.113 . 1 1 1 76 LEU N . . . . . . 98 . 18863 4 >> 69 1 . 1 . . 8.039 . 1 1 1 21 LEU H . . . . . . 99 . 18863 4 >> 69 3 . 1 . . 118.831 . 1 1 1 21 LEU N . . . . . . 100 . 18863 4 >> 70 1 . 1 . . 8.026 . 1 1 1 21 LEU H . . . . . . 99 . 18863 4 >> 70 3 . 1 . . 118.744 . 1 1 1 21 LEU N . . . . . . 100 . 18863 4 >> 71 1 . 1 . . 8.028 . 1 1 1 21 LEU H . . . . . . 99 . 18863 4 >> 71 3 . 1 . . 118.859 . 1 1 1 21 LEU N . . . . . . 100 . 18863 4 >> 72 1 . 1 . . 8.390 . 1 1 1 23 ASN H . . . . . . 101 . 18863 4 >> 72 3 . 1 . . 118.607 . 1 1 1 23 ASN N . . . . . . 102 . 18863 4 >> 73 1 . 1 . . 7.486 . 1 1 1 54 ARG H . . . . . . 105 . 18863 4 >> 73 3 . 1 . . 118.290 . 1 1 1 54 ARG N . . . . . . 106 . 18863 4 >> 74 1 . 1 . . 8.399 . 1 1 1 19 LYS H . . . . . . 107 . 18863 4 >> 74 3 . 1 . . 118.021 . 1 1 1 19 LYS N . . . . . . 108 . 18863 4 >> 75 1 . 1 . . 7.829 . 1 1 1 71 LEU H . . . . . . 109 . 18863 4 >> 75 2 . 1 . . 42.991 . 1 1 1 71 LEU CB . . . . . . 591 . 18863 4 >> 75 3 . 1 . . 118.053 . 1 1 1 71 LEU N . . . . . . 110 . 18863 4 >> 76 1 . 1 . . 7.586 . 1 1 1 55 LEU H . . . . . . 111 . 18863 4 >> 76 3 . 1 . . 117.998 . 1 1 1 55 LEU N . . . . . . 112 . 18863 4 >> 77 1 . 1 . . 7.986 . 1 1 1 81 TYR H . . . . . . 113 . 18863 4 >> 77 3 . 1 . . 117.996 . 1 1 1 81 TYR N . . . . . . 114 . 18863 4 >> 78 1 . 1 . . 7.964 . 1 1 1 81 TYR H . . . . . . 113 . 18863 4 >> 78 3 . 1 . . 117.857 . 1 1 1 81 TYR N . . . . . . 114 . 18863 4 >> 79 1 . 1 . . 7.965 . 1 1 1 81 TYR H . . . . . . 113 . 18863 4 >> 79 3 . 1 . . 117.822 . 1 1 1 81 TYR N . . . . . . 114 . 18863 4 >> 80 3 . 1 . . 118.050 . 1 1 1 79 ARG N . . . . . . 116 . 18863 4 >> 81 1 . 1 . . 7.794 . 1 1 1 11 MET H . . . . . . 117 . 18863 4 >> 81 3 . 1 . . 117.705 . 1 1 1 11 MET N . . . . . . 118 . 18863 4 >> 82 1 . 1 . . 7.786 . 1 1 1 11 MET H . . . . . . 117 . 18863 4 >> 82 3 . 1 . . 117.812 . 1 1 1 11 MET N . . . . . . 118 . 18863 4 >> 83 1 . 1 . . 7.776 . 1 1 1 11 MET H . . . . . . 117 . 18863 4 >> 83 3 . 1 . . 117.695 . 1 1 1 11 MET N . . . . . . 118 . 18863 4 >> 84 1 . 1 . . 7.792 . 1 1 1 11 MET H . . . . . . 117 . 18863 4 >> 84 3 . 1 . . 117.610 . 1 1 1 11 MET N . . . . . . 118 . 18863 4 >> 85 1 . 1 . . 7.889 . 1 1 1 61 TYR H . . . . . . 119 . 18863 4 >> 85 3 . 1 . . 117.498 . 1 1 1 61 TYR N . . . . . . 120 . 18863 4 >> 86 1 . 1 . . 7.890 . 1 1 1 61 TYR H . . . . . . 119 . 18863 4 >> 86 3 . 1 . . 117.494 . 1 1 1 61 TYR N . . . . . . 120 . 18863 4 >> 87 1 . 1 . . 7.681 . 1 1 1 66 VAL H . . . . . . 121 . 18863 4 >> 87 3 . 1 . . 117.312 . 1 1 1 66 VAL N . . . . . . 122 . 18863 4 >> 88 1 . 1 . . 7.744 . 1 1 1 74 LEU H . . . . . . 125 . 18863 4 >> 88 2 . 1 . . 43.742 . 1 1 1 74 LEU CB . . . . . . 593 . 18863 4 >> 88 3 . 1 . . 117.200 . 1 1 1 74 LEU N . . . . . . 126 . 18863 4 >> 89 1 . 1 . . 7.903 . 1 1 1 7 GLU H . . . . . . 127 . 18863 4 >> 89 3 . 1 . . 116.950 . 1 1 1 7 GLU N . . . . . . 128 . 18863 4 >> 90 1 . 1 . . 7.950 . 1 1 1 7 GLU H . . . . . . 127 . 18863 4 >> 90 3 . 1 . . 116.969 . 1 1 1 7 GLU N . . . . . . 128 . 18863 4 >> 91 1 . 1 . . 7.947 . 1 1 1 7 GLU H . . . . . . 127 . 18863 4 >> 91 3 . 1 . . 116.982 . 1 1 1 7 GLU N . . . . . . 128 . 18863 4 >> 92 1 . 1 . . 7.979 . 1 1 1 64 TYR H . . . . . . 129 . 18863 4 >> 92 3 . 1 . . 116.809 . 1 1 1 64 TYR N . . . . . . 130 . 18863 4 >> 93 1 . 1 . . 7.880 . 1 1 1 63 PHE H . . . . . . 131 . 18863 4 >> 93 3 . 1 . . 116.638 . 1 1 1 63 PHE N . . . . . . 132 . 18863 4 >> 94 1 . 1 . . 7.879 . 1 1 1 63 PHE H . . . . . . 131 . 18863 4 >> 94 3 . 1 . . 116.585 . 1 1 1 63 PHE N . . . . . . 132 . 18863 4 >> 95 1 . 1 . . 8.395 . 1 1 1 36 HIS H . . . . . . 133 . 18863 4 >> 95 3 . 1 . . 116.128 . 1 1 1 36 HIS N . . . . . . 134 . 18863 4 >> 96 1 . 1 . . 8.371 . 1 1 1 36 HIS H . . . . . . 133 . 18863 4 >> 96 3 . 1 . . 115.930 . 1 1 1 36 HIS N . . . . . . 134 . 18863 4 >> 97 1 . 1 . . 7.075 . 1 1 1 69 LEU H . . . . . . 135 . 18863 4 >> 97 3 . 1 . . 116.132 . 1 1 1 69 LEU N . . . . . . 136 . 18863 4 >> 98 1 . 1 . . 7.074 . 1 1 1 69 LEU H . . . . . . 135 . 18863 4 >> 98 3 . 1 . . 116.086 . 1 1 1 69 LEU N . . . . . . 136 . 18863 4 >> 99 1 . 1 . . 8.129 . 1 1 1 5 SER H . . . . . . 139 . 18863 4 >> 99 3 . 1 . . 115.353 . 1 1 1 5 SER N . . . . . . 140 . 18863 4 >> 100 1 . 1 . . 7.588 . 1 1 1 86 SER H . . . . . . 143 . 18863 4 >> 100 3 . 1 . . 114.047 . 1 1 1 86 SER N . . . . . . 144 . 18863 4 >> 101 1 . 1 . . 7.588 . 1 1 1 86 SER H . . . . . . 143 . 18863 4 >> 101 3 . 1 . . 114.055 . 1 1 1 86 SER N . . . . . . 144 . 18863 4 >> 102 1 . 1 . . 6.746 . 1 1 1 23 ASN HD22 . . . . . . 153 . 18863 4 >> 102 3 . 1 . . 108.433 . 1 . . . . . . . . . . . 154 . 18863 4 >> 103 1 . 1 . . 8.066 . 1 1 1 4 GLY H . . . . . . 157 . 18863 4 >> 103 3 . 1 . . 107.339 . 1 1 1 4 GLY N . . . . . . 158 . 18863 4 >> 104 1 . 1 . . 7.925 . 1 1 1 65 GLY H . . . . . . 159 . 18863 4 >> 104 3 . 1 . . 106.583 . 1 1 1 65 GLY N . . . . . . 160 . 18863 4 >> 105 1 . 1 . . 7.940 . 1 1 1 65 GLY H . . . . . . 159 . 18863 4 >> 105 3 . 1 . . 106.498 . 1 1 1 65 GLY N . . . . . . 160 . 18863 4 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2_3_4_5 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label '3D CBCA(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 $methanol_CN _Sample_conditions_label $methanol_25c _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 18863 >> _Spectral_peak_list.ID 5 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $methanol_CN >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $methanol_25c >> _Spectral_peak_list.Experiment_ID 5 >> _Spectral_peak_list.Experiment_name '3D CBCA(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 . 2505.818 . . . 18863 5 >> 2 C 13 13C . 7800.000 . . . 18863 5 >> 3 N 15 15N . 1400.021 . . . 18863 5 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 18863 5 >> 2 1.0 . 18863 5 >> 3 1.0 . 18863 5 >> 4 1.0 . 18863 5 >> 5 1.0 . 18863 5 >> 6 1.0 . 18863 5 >> 7 1.0 . 18863 5 >> 8 1.0 . 18863 5 >> 9 1.0 . 18863 5 >> 10 1.0 . 18863 5 >> 11 1.0 . 18863 5 >> 12 1.0 . 18863 5 >> 13 1.0 . 18863 5 >> 14 1.0 . 18863 5 >> 15 1.0 . 18863 5 >> 16 1.0 . 18863 5 >> 17 1.0 . 18863 5 >> 18 1.0 . 18863 5 >> 19 1.0 . 18863 5 >> 20 1.0 . 18863 5 >> 21 1.0 . 18863 5 >> 22 1.0 . 18863 5 >> 23 1.0 . 18863 5 >> 24 1.0 . 18863 5 >> 25 1.0 . 18863 5 >> 26 1.0 . 18863 5 >> 27 1.0 . 18863 5 >> 28 1.0 . 18863 5 >> 29 1.0 . 18863 5 >> 30 1.0 . 18863 5 >> 31 1.0 . 18863 5 >> 32 1.0 . 18863 5 >> 33 1.0 . 18863 5 >> 34 1.0 . 18863 5 >> 35 1.0 . 18863 5 >> 36 1.0 . 18863 5 >> 37 1.0 . 18863 5 >> 38 1.0 . 18863 5 >> 39 1.0 . 18863 5 >> 40 1.0 . 18863 5 >> 41 1.0 . 18863 5 >> 42 1.0 . 18863 5 >> 43 1.0 . 18863 5 >> 44 1.0 . 18863 5 >> 45 1.0 . 18863 5 >> 46 1.0 . 18863 5 >> 47 1.0 . 18863 5 >> 48 1.0 . 18863 5 >> 49 1.0 . 18863 5 >> 50 1.0 . 18863 5 >> 51 1.0 . 18863 5 >> 52 1.0 . 18863 5 >> 53 1.0 . 18863 5 >> 54 1.0 . 18863 5 >> 55 1.0 . 18863 5 >> 56 1.0 . 18863 5 >> 57 1.0 . 18863 5 >> 58 1.0 . 18863 5 >> 59 1.0 . 18863 5 >> 60 1.0 . 18863 5 >> 61 1.0 . 18863 5 >> 62 1.0 . 18863 5 >> 63 1.0 . 18863 5 >> 64 1.0 . 18863 5 >> 65 1.0 . 18863 5 >> 66 1.0 . 18863 5 >> 67 1.0 . 18863 5 >> 68 1.0 . 18863 5 >> 69 1.0 . 18863 5 >> 70 1.0 . 18863 5 >> 71 1.0 . 18863 5 >> 72 1.0 . 18863 5 >> 73 1.0 . 18863 5 >> 74 1.0 . 18863 5 >> 75 1.0 . 18863 5 >> 76 1.0 . 18863 5 >> 77 1.0 . 18863 5 >> 78 1.0 . 18863 5 >> 79 1.0 . 18863 5 >> 80 1.0 . 18863 5 >> 81 1.0 . 18863 5 >> 82 1.0 . 18863 5 >> 83 1.0 . 18863 5 >> 84 1.0 . 18863 5 >> 85 1.0 . 18863 5 >> 86 1.0 . 18863 5 >> 87 1.0 . 18863 5 >> 88 1.0 . 18863 5 >> 89 1.0 . 18863 5 >> 90 1.0 . 18863 5 >> 91 1.0 . 18863 5 >> 92 1.0 . 18863 5 >> 93 1.0 . 18863 5 >> 94 1.0 . 18863 5 >> 95 1.0 . 18863 5 >> 96 1.0 . 18863 5 >> 97 1.0 . 18863 5 >> 98 1.0 . 18863 5 >> 99 1.0 . 18863 5 >> 100 1.0 . 18863 5 >> 101 1.0 . 18863 5 >> 102 1.0 . 18863 5 >> 103 1.0 . 18863 5 >> 104 1.0 . 18863 5 >> 105 1.0 . 18863 5 >> 106 1.0 . 18863 5 >> 107 1.0 . 18863 5 >> 108 1.0 . 18863 5 >> 109 1.0 . 18863 5 >> 110 1.0 . 18863 5 >> 111 1.0 . 18863 5 >> 112 1.0 . 18863 5 >> 113 1.0 . 18863 5 >> 114 1.0 . 18863 5 >> 115 1.0 . 18863 5 >> 116 1.0 . 18863 5 >> 117 1.0 . 18863 5 >> 118 1.0 . 18863 5 >> 119 1.0 . 18863 5 >> 120 1.0 . 18863 5 >> 121 1.0 . 18863 5 >> 122 1.0 . 18863 5 >> 123 1.0 . 18863 5 >> 124 1.0 . 18863 5 >> 125 1.0 . 18863 5 >> 126 1.0 . 18863 5 >> 127 1.0 . 18863 5 >> 128 1.0 . 18863 5 >> 129 1.0 . 18863 5 >> 130 1.0 . 18863 5 >> 131 1.0 . 18863 5 >> 132 1.0 . 18863 5 >> 133 1.0 . 18863 5 >> 134 1.0 . 18863 5 >> 135 1.0 . 18863 5 >> 136 1.0 . 18863 5 >> 137 1.0 . 18863 5 >> 138 1.0 . 18863 5 >> 139 1.0 . 18863 5 >> 140 1.0 . 18863 5 >> 141 1.0 . 18863 5 >> 142 1.0 . 18863 5 >> 143 1.0 . 18863 5 >> 144 1.0 . 18863 5 >> 145 1.0 . 18863 5 >> 146 1.0 . 18863 5 >> 147 1.0 . 18863 5 >> 148 1.0 . 18863 5 >> 149 1.0 . 18863 5 >> 150 1.0 . 18863 5 >> 151 1.0 . 18863 5 >> 152 1.0 . 18863 5 >> 153 1.0 . 18863 5 >> 154 1.0 . 18863 5 >> 155 1.0 . 18863 5 >> 156 1.0 . 18863 5 >> 157 1.0 . 18863 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 9196091.0000000 . height 18863 5 >> 1 136155643.7500000 . volume 18863 5 >> 2 22684558.0000000 . height 18863 5 >> 2 325404271.5000000 . volume 18863 5 >> 3 7155029.0000000 . height 18863 5 >> 3 104688753.2500000 . volume 18863 5 >> 4 2185223.5000000 . height 18863 5 >> 4 25813313.8125000 . volume 18863 5 >> 5 7141103.0000000 . height 18863 5 >> 5 103146879.7500000 . volume 18863 5 >> 6 5461775.5000000 . height 18863 5 >> 6 75335164.7500000 . volume 18863 5 >> 7 7333144.5000000 . height 18863 5 >> 7 113489254.2500000 . volume 18863 5 >> 8 6793965.5000000 . height 18863 5 >> 8 97369729.3750000 . volume 18863 5 >> 9 5103801.0000000 . height 18863 5 >> 9 76053054.1250000 . volume 18863 5 >> 10 2418486.0000000 . height 18863 5 >> 10 34414106.1250000 . volume 18863 5 >> 11 2775145.2500000 . height 18863 5 >> 11 38225001.3750000 . volume 18863 5 >> 12 18099220.0000000 . height 18863 5 >> 12 249278946.0000000 . volume 18863 5 >> 13 5818161.0000000 . height 18863 5 >> 13 84708269.0000000 . volume 18863 5 >> 14 15307216.0000000 . height 18863 5 >> 14 228187052.2500000 . volume 18863 5 >> 15 6359040.0000000 . height 18863 5 >> 15 91801869.5000000 . volume 18863 5 >> 16 9044866.0000000 . height 18863 5 >> 16 118223784.5000000 . volume 18863 5 >> 17 2003676.7500000 . height 18863 5 >> 17 32310001.7812000 . volume 18863 5 >> 18 3998624.5000000 . height 18863 5 >> 18 60753758.5000000 . volume 18863 5 >> 19 4032150.0000000 . height 18863 5 >> 19 66102739.6250000 . volume 18863 5 >> 20 6908267.5000000 . height 18863 5 >> 20 112237454.3750000 . volume 18863 5 >> 21 2536044.2500000 . height 18863 5 >> 21 41685398.8750000 . volume 18863 5 >> 22 3994521.7500000 . height 18863 5 >> 22 66244487.5000000 . volume 18863 5 >> 23 9494142.0000000 . height 18863 5 >> 23 132210261.3750000 . volume 18863 5 >> 24 4523386.5000000 . height 18863 5 >> 24 57051205.3438000 . volume 18863 5 >> 25 23387926.0000000 . height 18863 5 >> 25 325383171.7500000 . volume 18863 5 >> 26 14896139.0000000 . height 18863 5 >> 26 217519564.0000000 . volume 18863 5 >> 27 6655037.5000000 . height 18863 5 >> 27 84202763.7500000 . volume 18863 5 >> 28 4161556.2500000 . height 18863 5 >> 28 75284774.5000000 . volume 18863 5 >> 29 15999372.0000000 . height 18863 5 >> 29 217850871.5000000 . volume 18863 5 >> 30 8475110.0000000 . height 18863 5 >> 30 115079040.6250000 . volume 18863 5 >> 31 4291550.5000000 . height 18863 5 >> 31 76351625.0000000 . volume 18863 5 >> 32 3429058.7500000 . height 18863 5 >> 32 54565292.0312000 . volume 18863 5 >> 33 3721466.0000000 . height 18863 5 >> 33 52815247.5000000 . volume 18863 5 >> 34 6731234.0000000 . height 18863 5 >> 34 85065714.0625000 . volume 18863 5 >> 35 6796927.5000000 . height 18863 5 >> 35 105058975.0000000 . volume 18863 5 >> 36 5396232.0000000 . height 18863 5 >> 36 66212905.0625000 . volume 18863 5 >> 37 3921044.2500000 . height 18863 5 >> 37 67277590.5000000 . volume 18863 5 >> 38 6776825.0000000 . height 18863 5 >> 38 101829084.5620000 . volume 18863 5 >> 39 7680300.5000000 . height 18863 5 >> 39 100883878.7500000 . volume 18863 5 >> 40 2079986.8750000 . height 18863 5 >> 40 22630086.2344000 . volume 18863 5 >> 41 8901776.0000000 . height 18863 5 >> 41 123382612.7500000 . volume 18863 5 >> 42 4772817.0000000 . height 18863 5 >> 42 65470349.4375000 . volume 18863 5 >> 43 3269724.2500000 . height 18863 5 >> 43 46217191.1963000 . volume 18863 5 >> 44 5378834.0000000 . height 18863 5 >> 44 73965574.8125000 . volume 18863 5 >> 45 13212458.0000000 . height 18863 5 >> 45 196660882.0000000 . volume 18863 5 >> 46 3334665.2500000 . height 18863 5 >> 46 44740404.7812000 . volume 18863 5 >> 47 5438412.0000000 . height 18863 5 >> 47 75961822.4531000 . volume 18863 5 >> 48 3631235.2500000 . height 18863 5 >> 48 56398150.0625000 . volume 18863 5 >> 49 5439960.0000000 . height 18863 5 >> 49 89544732.2500000 . volume 18863 5 >> 50 2347125.5000000 . height 18863 5 >> 50 39109176.1250000 . volume 18863 5 >> 51 2163821.0000000 . height 18863 5 >> 51 37016008.5000000 . volume 18863 5 >> 52 7404011.0000000 . height 18863 5 >> 52 96899337.0000000 . volume 18863 5 >> 53 4423433.5000000 . height 18863 5 >> 53 55902587.7188000 . volume 18863 5 >> 54 6125122.5000000 . height 18863 5 >> 54 87483381.6250000 . volume 18863 5 >> 55 2919853.2500000 . height 18863 5 >> 55 47753799.1875000 . volume 18863 5 >> 56 1961428.6250000 . height 18863 5 >> 56 30826500.9844000 . volume 18863 5 >> 57 6361607.0000000 . height 18863 5 >> 57 98747385.0000000 . volume 18863 5 >> 58 2684098.2500000 . height 18863 5 >> 58 31894536.6758000 . volume 18863 5 >> 59 5581938.5000000 . height 18863 5 >> 59 76684694.7500000 . volume 18863 5 >> 60 5030246.5000000 . height 18863 5 >> 60 80087830.0938000 . volume 18863 5 >> 61 2927910.7500000 . height 18863 5 >> 61 34361077.4062000 . volume 18863 5 >> 62 3510300.7500000 . height 18863 5 >> 62 50761969.6562000 . volume 18863 5 >> 63 16004491.0000000 . height 18863 5 >> 63 232096787.0000000 . volume 18863 5 >> 64 2069144.5000000 . height 18863 5 >> 64 20587781.0859000 . volume 18863 5 >> 65 8717329.0000000 . height 18863 5 >> 65 114680597.1250000 . volume 18863 5 >> 66 26887816.0000000 . height 18863 5 >> 66 380810140.5000000 . volume 18863 5 >> 67 12921845.0000000 . height 18863 5 >> 67 186816397.5000000 . volume 18863 5 >> 68 26647502.0000000 . height 18863 5 >> 68 372787227.0000000 . volume 18863 5 >> 69 12350852.0000000 . height 18863 5 >> 69 177313236.2500000 . volume 18863 5 >> 70 5766384.0000000 . height 18863 5 >> 70 82896884.3750000 . volume 18863 5 >> 71 34004224.0000000 . height 18863 5 >> 71 503244597.0000000 . volume 18863 5 >> 72 15134894.0000000 . height 18863 5 >> 72 224486445.0000000 . volume 18863 5 >> 73 5567003.5000000 . height 18863 5 >> 73 87676147.5000000 . volume 18863 5 >> 74 4488486.0000000 . height 18863 5 >> 74 67912162.0000000 . volume 18863 5 >> 75 2362498.7500000 . height 18863 5 >> 75 21122768.2656000 . volume 18863 5 >> 76 24941404.0000000 . height 18863 5 >> 76 383637059.5000000 . volume 18863 5 >> 77 11348913.0000000 . height 18863 5 >> 77 170951718.7500000 . volume 18863 5 >> 78 2021601.7500000 . height 18863 5 >> 78 32155963.8438000 . volume 18863 5 >> 79 15281978.0000000 . height 18863 5 >> 79 221905682.7500000 . volume 18863 5 >> 80 7958657.0000000 . height 18863 5 >> 80 114906530.7500000 . volume 18863 5 >> 81 15452984.0000000 . height 18863 5 >> 81 232021650.7500000 . volume 18863 5 >> 82 8008468.0000000 . height 18863 5 >> 82 127060967.6250000 . volume 18863 5 >> 83 7323840.0000000 . height 18863 5 >> 83 122118240.1250000 . volume 18863 5 >> 84 2316907.7500000 . height 18863 5 >> 84 40161672.9688000 . volume 18863 5 >> 85 3406131.7500000 . height 18863 5 >> 85 41923260.3438000 . volume 18863 5 >> 86 5237706.0000000 . height 18863 5 >> 86 77663623.5000000 . volume 18863 5 >> 87 6168343.0000000 . height 18863 5 >> 87 92606556.0000000 . volume 18863 5 >> 88 3284228.7500000 . height 18863 5 >> 88 46609210.1875000 . volume 18863 5 >> 89 3907264.5000000 . height 18863 5 >> 89 52904141.5000000 . volume 18863 5 >> 90 8414898.0000000 . height 18863 5 >> 90 118635211.6880000 . volume 18863 5 >> 91 5622611.0000000 . height 18863 5 >> 91 82458572.3750000 . volume 18863 5 >> 92 7776474.5000000 . height 18863 5 >> 92 128413501.3750000 . volume 18863 5 >> 93 2741142.7500000 . height 18863 5 >> 93 50527152.1875000 . volume 18863 5 >> 94 17278276.0000000 . height 18863 5 >> 94 244756323.0000000 . volume 18863 5 >> 95 8093666.5000000 . height 18863 5 >> 95 109498689.2500000 . volume 18863 5 >> 96 2963364.7500000 . height 18863 5 >> 96 47629350.5625000 . volume 18863 5 >> 97 6307548.0000000 . height 18863 5 >> 97 107239045.7500000 . volume 18863 5 >> 98 19899030.0000000 . height 18863 5 >> 98 296488292.2500000 . volume 18863 5 >> 99 10249522.0000000 . height 18863 5 >> 99 159346955.1250000 . volume 18863 5 >> 100 7389925.0000000 . height 18863 5 >> 100 117830781.0000000 . volume 18863 5 >> 101 3791516.2500000 . height 18863 5 >> 101 67032426.0625000 . volume 18863 5 >> 102 6953065.0000000 . height 18863 5 >> 102 93254534.3125000 . volume 18863 5 >> 103 3496330.7500000 . height 18863 5 >> 103 49022455.4062000 . volume 18863 5 >> 104 19319020.0000000 . height 18863 5 >> 104 325701739.5000000 . volume 18863 5 >> 105 8493083.0000000 . height 18863 5 >> 105 154919088.0000000 . volume 18863 5 >> 106 9341215.0000000 . height 18863 5 >> 106 130491337.3750000 . volume 18863 5 >> 107 4799768.5000000 . height 18863 5 >> 107 70394740.2812000 . volume 18863 5 >> 108 3207127.2500000 . height 18863 5 >> 108 44270318.5781000 . volume 18863 5 >> 109 2199828.2500000 . height 18863 5 >> 109 34137835.7031000 . volume 18863 5 >> 110 5656806.0000000 . height 18863 5 >> 110 86699888.0000000 . volume 18863 5 >> 111 1970185.3750000 . height 18863 5 >> 111 30640582.4648000 . volume 18863 5 >> 112 18368974.0000000 . height 18863 5 >> 112 274137830.0000000 . volume 18863 5 >> 113 8326378.5000000 . height 18863 5 >> 113 127550001.3750000 . volume 18863 5 >> 114 9439990.0000000 . height 18863 5 >> 114 140408222.2500000 . volume 18863 5 >> 115 3857682.0000000 . height 18863 5 >> 115 53739221.2500000 . volume 18863 5 >> 116 2096661.7500000 . height 18863 5 >> 116 36303724.5781000 . volume 18863 5 >> 117 4122819.2500000 . height 18863 5 >> 117 59320554.9766000 . volume 18863 5 >> 118 6463723.0000000 . height 18863 5 >> 118 98112074.0000000 . volume 18863 5 >> 119 14843933.0000000 . height 18863 5 >> 119 228835653.2500000 . volume 18863 5 >> 120 8864836.0000000 . height 18863 5 >> 120 116180209.5000000 . volume 18863 5 >> 121 21878584.0000000 . height 18863 5 >> 121 350356476.5000000 . volume 18863 5 >> 122 12367182.0000000 . height 18863 5 >> 122 191598288.2500000 . volume 18863 5 >> 123 6281925.5000000 . height 18863 5 >> 123 92633877.1875000 . volume 18863 5 >> 124 10899117.0000000 . height 18863 5 >> 124 170799242.5000000 . volume 18863 5 >> 125 3330160.5000000 . height 18863 5 >> 125 43403920.5605000 . volume 18863 5 >> 126 14325580.0000000 . height 18863 5 >> 126 219587052.7500000 . volume 18863 5 >> 127 9206516.0000000 . height 18863 5 >> 127 133902549.0000000 . volume 18863 5 >> 128 17885100.0000000 . height 18863 5 >> 128 266409302.2500000 . volume 18863 5 >> 129 9286385.0000000 . height 18863 5 >> 129 128371202.1250000 . volume 18863 5 >> 130 7988968.5000000 . height 18863 5 >> 130 121794176.5000000 . volume 18863 5 >> 131 4540845.5000000 . height 18863 5 >> 131 65283336.5000000 . volume 18863 5 >> 132 14753998.0000000 . height 18863 5 >> 132 224787153.2500000 . volume 18863 5 >> 133 5046332.0000000 . height 18863 5 >> 133 82764600.5000000 . volume 18863 5 >> 134 9257111.0000000 . height 18863 5 >> 134 125409007.0000000 . volume 18863 5 >> 135 4295492.5000000 . height 18863 5 >> 135 53482940.7188000 . volume 18863 5 >> 136 38492596.0000000 . height 18863 5 >> 136 564978174.0000000 . volume 18863 5 >> 137 5284262.0000000 . height 18863 5 >> 137 79327148.5000000 . volume 18863 5 >> 138 3026418.2500000 . height 18863 5 >> 138 41261470.1250000 . volume 18863 5 >> 139 2144496.7500000 . height 18863 5 >> 139 35581443.6875000 . volume 18863 5 >> 140 27035958.0000000 . height 18863 5 >> 140 402861433.0000000 . volume 18863 5 >> 141 16499096.0000000 . height 18863 5 >> 141 241226593.0000000 . volume 18863 5 >> 142 6119256.5000000 . height 18863 5 >> 142 91488245.5000000 . volume 18863 5 >> 143 4184725.5000000 . height 18863 5 >> 143 60750838.0625000 . volume 18863 5 >> 144 2528719.0000000 . height 18863 5 >> 144 31339849.3164000 . volume 18863 5 >> 145 6038992.0000000 . height 18863 5 >> 145 95629472.7500000 . volume 18863 5 >> 146 3229984.7500000 . height 18863 5 >> 146 44904659.4375000 . volume 18863 5 >> 147 29126624.0000000 . height 18863 5 >> 147 409413692.5000000 . volume 18863 5 >> 148 17039946.0000000 . height 18863 5 >> 148 232643520.0000000 . volume 18863 5 >> 149 15018241.0000000 . height 18863 5 >> 149 233966275.5000000 . volume 18863 5 >> 150 6799784.0000000 . height 18863 5 >> 150 103149250.0000000 . volume 18863 5 >> 151 5287270.0000000 . height 18863 5 >> 151 80735849.8125000 . volume 18863 5 >> 152 3647201.2500000 . height 18863 5 >> 152 57648145.8750000 . volume 18863 5 >> 153 8641762.0000000 . height 18863 5 >> 153 130151365.8750000 . volume 18863 5 >> 154 2391643.0000000 . height 18863 5 >> 154 33337407.6875000 . volume 18863 5 >> 155 2760125.2500000 . height 18863 5 >> 155 43792947.8125000 . volume 18863 5 >> 156 2499703.2500000 . height 18863 5 >> 156 41316033.1250000 . volume 18863 5 >> 157 50021.6523438 . height 18863 5 >> 157 -213372.6679690 . volume 18863 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 8.339 . . . . . . . . . . . . 8 18863 5 >> 1 2 48.494 . . . . . . . . . . . . 8 18863 5 >> 1 3 125.042 . . . . . . . . . . . . 8 18863 5 >> 2 1 7.933 . . . . . . . . . . . . 8 18863 5 >> 2 2 48.009 . . . . . . . . . . . . 8 18863 5 >> 2 3 123.944 . . . . . . . . . . . . 8 18863 5 >> 3 1 8.306 . . . . . . . . . . . . 8 18863 5 >> 3 2 68.273 . . . . . . . . . . . . 8 18863 5 >> 3 3 123.704 . . . . . . . . . . . . 8 18863 5 >> 4 1 8.311 . . . . . . . . . . . . 8 18863 5 >> 4 2 33.376 . . . . . . . . . . . . 8 18863 5 >> 4 3 123.787 . . . . . . . . . . . . 8 18863 5 >> 5 1 8.537 . . . . . . . . . . . . 8 18863 5 >> 5 2 58.451 . . . . . . . . . . . . 8 18863 5 >> 5 3 123.518 . . . . . . . . . . . . 8 18863 5 >> 6 1 8.540 . . . . . . . . . . . . 8 18863 5 >> 6 2 40.337 . . . . . . . . . . . . 8 18863 5 >> 6 3 123.536 . . . . . . . . . . . . 8 18863 5 >> 7 1 8.242 . . . . . . . . . . . . 8 18863 5 >> 7 2 48.849 . . . . . . . . . . . . 8 18863 5 >> 7 3 123.112 . . . . . . . . . . . . 8 18863 5 >> 8 1 8.120 . . . . . . . . . . . . 8 18863 5 >> 8 2 64.365 . . . . . . . . . . . . 8 18863 5 >> 8 3 123.116 . . . . . . . . . . . . 8 18863 5 >> 9 1 8.316 . . . . . . . . . . . . 8 18863 5 >> 9 2 65.803 . . . . . . . . . . . . 8 18863 5 >> 9 3 122.919 . . . . . . . . . . . . 8 18863 5 >> 10 1 8.327 . . . . . . . . . . . . 8 18863 5 >> 10 2 28.577 . . . . . . . . . . . . 8 18863 5 >> 10 3 122.895 . . . . . . . . . . . . 8 18863 5 >> 11 1 8.314 . . . . . . . . . . . . 8 18863 5 >> 11 2 28.190 . . . . . . . . . . . . 8 18863 5 >> 11 3 122.885 . . . . . . . . . . . . 8 18863 5 >> 12 1 8.006 . . . . . . . . . . . . 8 18863 5 >> 12 2 64.932 . . . . . . . . . . . . 8 18863 5 >> 12 3 122.696 . . . . . . . . . . . . 8 18863 5 >> 13 1 8.005 . . . . . . . . . . . . 8 18863 5 >> 13 2 33.855 . . . . . . . . . . . . 8 18863 5 >> 13 3 122.702 . . . . . . . . . . . . 8 18863 5 >> 14 1 8.167 . . . . . . . . . . . . 8 18863 5 >> 14 2 59.378 . . . . . . . . . . . . 8 18863 5 >> 14 3 122.668 . . . . . . . . . . . . 8 18863 5 >> 15 1 8.166 . . . . . . . . . . . . 8 18863 5 >> 15 2 31.996 . . . . . . . . . . . . 8 18863 5 >> 15 3 122.666 . . . . . . . . . . . . 8 18863 5 >> 16 1 8.110 . . . . . . . . . . . . 8 18863 5 >> 16 2 60.491 . . . . . . . . . . . . 8 18863 5 >> 16 3 122.662 . . . . . . . . . . . . 8 18863 5 >> 17 1 8.081 . . . . . . . . . . . . 8 18863 5 >> 17 2 60.326 . . . . . . . . . . . . 8 18863 5 >> 17 3 122.753 . . . . . . . . . . . . 8 18863 5 >> 18 1 8.106 . . . . . . . . . . . . 8 18863 5 >> 18 2 33.499 . . . . . . . . . . . . 8 18863 5 >> 18 3 122.662 . . . . . . . . . . . . 8 18863 5 >> 19 1 8.098 . . . . . . . . . . . . 8 18863 5 >> 19 2 64.579 . . . . . . . . . . . . 8 18863 5 >> 19 3 122.385 . . . . . . . . . . . . 8 18863 5 >> 20 1 8.025 . . . . . . . . . . . . 8 18863 5 >> 20 2 61.918 . . . . . . . . . . . . 8 18863 5 >> 20 3 122.384 . . . . . . . . . . . . 8 18863 5 >> 21 1 8.001 . . . . . . . . . . . . 8 18863 5 >> 21 2 57.000 . . . . . . . . . . . . 8 18863 5 >> 21 3 122.488 . . . . . . . . . . . . 8 18863 5 >> 22 1 8.023 . . . . . . . . . . . . 8 18863 5 >> 22 2 39.813 . . . . . . . . . . . . 8 18863 5 >> 22 3 122.408 . . . . . . . . . . . . 8 18863 5 >> 23 1 7.820 . . . . . . . . . . . . 8 18863 5 >> 23 2 56.904 . . . . . . . . . . . . 8 18863 5 >> 23 3 122.417 . . . . . . . . . . . . 8 18863 5 >> 24 1 7.820 . . . . . . . . . . . . 8 18863 5 >> 24 2 44.132 . . . . . . . . . . . . 8 18863 5 >> 24 3 122.420 . . . . . . . . . . . . 8 18863 5 >> 25 1 7.914 . . . . . . . . . . . . 8 18863 5 >> 25 2 61.511 . . . . . . . . . . . . 8 18863 5 >> 25 3 121.742 . . . . . . . . . . . . 8 18863 5 >> 26 1 7.915 . . . . . . . . . . . . 8 18863 5 >> 26 2 39.826 . . . . . . . . . . . . 8 18863 5 >> 26 3 121.750 . . . . . . . . . . . . 8 18863 5 >> 27 1 8.161 . . . . . . . . . . . . 8 18863 5 >> 27 2 57.855 . . . . . . . . . . . . 8 18863 5 >> 27 3 121.586 . . . . . . . . . . . . 8 18863 5 >> 28 1 8.162 . . . . . . . . . . . . 8 18863 5 >> 28 2 38.838 . . . . . . . . . . . . 8 18863 5 >> 28 3 121.457 . . . . . . . . . . . . 8 18863 5 >> 29 1 7.862 . . . . . . . . . . . . 8 18863 5 >> 29 2 62.104 . . . . . . . . . . . . 8 18863 5 >> 29 3 121.587 . . . . . . . . . . . . 8 18863 5 >> 30 1 7.863 . . . . . . . . . . . . 8 18863 5 >> 30 2 39.705 . . . . . . . . . . . . 8 18863 5 >> 30 3 121.587 . . . . . . . . . . . . 8 18863 5 >> 31 1 8.544 . . . . . . . . . . . . 8 18863 5 >> 31 2 57.883 . . . . . . . . . . . . 8 18863 5 >> 31 3 121.468 . . . . . . . . . . . . 8 18863 5 >> 32 1 8.544 . . . . . . . . . . . . 8 18863 5 >> 32 2 38.411 . . . . . . . . . . . . 8 18863 5 >> 32 3 121.449 . . . . . . . . . . . . 8 18863 5 >> 33 1 8.282 . . . . . . . . . . . . 8 18863 5 >> 33 2 63.768 . . . . . . . . . . . . 8 18863 5 >> 33 3 121.313 . . . . . . . . . . . . 8 18863 5 >> 34 1 8.156 . . . . . . . . . . . . 8 18863 5 >> 34 2 62.600 . . . . . . . . . . . . 8 18863 5 >> 34 3 121.156 . . . . . . . . . . . . 8 18863 5 >> 35 1 8.130 . . . . . . . . . . . . 8 18863 5 >> 35 2 59.826 . . . . . . . . . . . . 8 18863 5 >> 35 3 121.081 . . . . . . . . . . . . 8 18863 5 >> 36 1 8.130 . . . . . . . . . . . . 8 18863 5 >> 36 2 43.497 . . . . . . . . . . . . 8 18863 5 >> 36 3 121.124 . . . . . . . . . . . . 8 18863 5 >> 37 1 7.949 . . . . . . . . . . . . 8 18863 5 >> 37 2 39.443 . . . . . . . . . . . . 8 18863 5 >> 37 3 121.078 . . . . . . . . . . . . 8 18863 5 >> 38 1 7.955 . . . . . . . . . . . . 8 18863 5 >> 38 2 57.625 . . . . . . . . . . . . 8 18863 5 >> 38 3 121.028 . . . . . . . . . . . . 8 18863 5 >> 39 1 8.306 . . . . . . . . . . . . 8 18863 5 >> 39 2 68.831 . . . . . . . . . . . . 8 18863 5 >> 39 3 120.959 . . . . . . . . . . . . 8 18863 5 >> 40 1 8.309 . . . . . . . . . . . . 8 18863 5 >> 40 2 33.202 . . . . . . . . . . . . 8 18863 5 >> 40 3 120.934 . . . . . . . . . . . . 8 18863 5 >> 41 1 8.579 . . . . . . . . . . . . 8 18863 5 >> 41 2 57.199 . . . . . . . . . . . . 8 18863 5 >> 41 3 120.975 . . . . . . . . . . . . 8 18863 5 >> 42 1 8.578 . . . . . . . . . . . . 8 18863 5 >> 42 2 19.047 . . . . . . . . . . . . 8 18863 5 >> 42 3 120.953 . . . . . . . . . . . . 8 18863 5 >> 43 1 8.800 . . . . . . . . . . . . 8 18863 5 >> 43 2 40.348 . . . . . . . . . . . . 8 18863 5 >> 43 3 120.839 . . . . . . . . . . . . 8 18863 5 >> 44 1 8.803 . . . . . . . . . . . . 8 18863 5 >> 44 2 63.326 . . . . . . . . . . . . 8 18863 5 >> 44 3 120.752 . . . . . . . . . . . . 8 18863 5 >> 45 1 8.055 . . . . . . . . . . . . 8 18863 5 >> 45 2 68.869 . . . . . . . . . . . . 8 18863 5 >> 45 3 120.651 . . . . . . . . . . . . 8 18863 5 >> 46 1 8.056 . . . . . . . . . . . . 8 18863 5 >> 46 2 33.054 . . . . . . . . . . . . 8 18863 5 >> 46 3 120.717 . . . . . . . . . . . . 8 18863 5 >> 47 1 8.396 . . . . . . . . . . . . 8 18863 5 >> 47 2 57.861 . . . . . . . . . . . . 8 18863 5 >> 47 3 120.642 . . . . . . . . . . . . 8 18863 5 >> 48 1 8.394 . . . . . . . . . . . . 8 18863 5 >> 48 2 38.389 . . . . . . . . . . . . 8 18863 5 >> 48 3 120.651 . . . . . . . . . . . . 8 18863 5 >> 49 1 8.206 . . . . . . . . . . . . 8 18863 5 >> 49 2 62.365 . . . . . . . . . . . . 8 18863 5 >> 49 3 120.720 . . . . . . . . . . . . 8 18863 5 >> 50 1 8.206 . . . . . . . . . . . . 8 18863 5 >> 50 2 30.403 . . . . . . . . . . . . 8 18863 5 >> 50 3 120.658 . . . . . . . . . . . . 8 18863 5 >> 51 1 8.221 . . . . . . . . . . . . 8 18863 5 >> 51 2 60.311 . . . . . . . . . . . . 8 18863 5 >> 51 3 120.476 . . . . . . . . . . . . 8 18863 5 >> 52 1 8.248 . . . . . . . . . . . . 8 18863 5 >> 52 2 57.180 . . . . . . . . . . . . 8 18863 5 >> 52 3 120.534 . . . . . . . . . . . . 8 18863 5 >> 53 1 8.245 . . . . . . . . . . . . 8 18863 5 >> 53 2 19.263 . . . . . . . . . . . . 8 18863 5 >> 53 3 120.511 . . . . . . . . . . . . 8 18863 5 >> 54 1 8.345 . . . . . . . . . . . . 8 18863 5 >> 54 2 63.570 . . . . . . . . . . . . 8 18863 5 >> 54 3 120.498 . . . . . . . . . . . . 8 18863 5 >> 55 1 8.346 . . . . . . . . . . . . 8 18863 5 >> 55 2 40.342 . . . . . . . . . . . . 8 18863 5 >> 55 3 120.458 . . . . . . . . . . . . 8 18863 5 >> 56 1 8.329 . . . . . . . . . . . . 8 18863 5 >> 56 2 38.880 . . . . . . . . . . . . 8 18863 5 >> 56 3 120.389 . . . . . . . . . . . . 8 18863 5 >> 57 1 8.510 . . . . . . . . . . . . 8 18863 5 >> 57 2 59.786 . . . . . . . . . . . . 8 18863 5 >> 57 3 120.416 . . . . . . . . . . . . 8 18863 5 >> 58 1 8.506 . . . . . . . . . . . . 8 18863 5 >> 58 2 43.374 . . . . . . . . . . . . 8 18863 5 >> 58 3 120.416 . . . . . . . . . . . . 8 18863 5 >> 59 1 8.288 . . . . . . . . . . . . 8 18863 5 >> 59 2 60.150 . . . . . . . . . . . . 8 18863 5 >> 59 3 120.485 . . . . . . . . . . . . 8 18863 5 >> 60 1 8.277 . . . . . . . . . . . . 8 18863 5 >> 60 2 57.579 . . . . . . . . . . . . 8 18863 5 >> 60 3 120.431 . . . . . . . . . . . . 8 18863 5 >> 61 1 8.288 . . . . . . . . . . . . 8 18863 5 >> 61 2 43.474 . . . . . . . . . . . . 8 18863 5 >> 61 3 120.511 . . . . . . . . . . . . 8 18863 5 >> 62 1 8.288 . . . . . . . . . . . . 8 18863 5 >> 62 2 38.251 . . . . . . . . . . . . 8 18863 5 >> 62 3 120.354 . . . . . . . . . . . . 8 18863 5 >> 63 1 8.030 . . . . . . . . . . . . 8 18863 5 >> 63 2 55.976 . . . . . . . . . . . . 8 18863 5 >> 63 3 120.287 . . . . . . . . . . . . 8 18863 5 >> 64 1 8.023 . . . . . . . . . . . . 8 18863 5 >> 64 2 52.924 . . . . . . . . . . . . 8 18863 5 >> 64 3 120.242 . . . . . . . . . . . . 8 18863 5 >> 65 1 8.030 . . . . . . . . . . . . 8 18863 5 >> 65 2 19.731 . . . . . . . . . . . . 8 18863 5 >> 65 3 120.297 . . . . . . . . . . . . 8 18863 5 >> 66 1 7.784 . . . . . . . . . . . . 8 18863 5 >> 66 2 55.080 . . . . . . . . . . . . 8 18863 5 >> 66 3 120.304 . . . . . . . . . . . . 8 18863 5 >> 67 1 7.783 . . . . . . . . . . . . 8 18863 5 >> 67 2 19.771 . . . . . . . . . . . . 8 18863 5 >> 67 3 120.322 . . . . . . . . . . . . 8 18863 5 >> 68 1 7.880 . . . . . . . . . . . . 8 18863 5 >> 68 2 55.394 . . . . . . . . . . . . 8 18863 5 >> 68 3 120.259 . . . . . . . . . . . . 8 18863 5 >> 69 1 7.880 . . . . . . . . . . . . 8 18863 5 >> 69 2 19.657 . . . . . . . . . . . . 8 18863 5 >> 69 3 120.259 . . . . . . . . . . . . 8 18863 5 >> 70 1 8.196 . . . . . . . . . . . . 8 18863 5 >> 70 2 60.143 . . . . . . . . . . . . 8 18863 5 >> 70 3 120.351 . . . . . . . . . . . . 8 18863 5 >> 71 1 8.187 . . . . . . . . . . . . 8 18863 5 >> 71 2 64.775 . . . . . . . . . . . . 8 18863 5 >> 71 3 120.114 . . . . . . . . . . . . 8 18863 5 >> 72 1 8.188 . . . . . . . . . . . . 8 18863 5 >> 72 2 33.520 . . . . . . . . . . . . 8 18863 5 >> 72 3 120.127 . . . . . . . . . . . . 8 18863 5 >> 73 1 8.536 . . . . . . . . . . . . 8 18863 5 >> 73 2 57.745 . . . . . . . . . . . . 8 18863 5 >> 73 3 120.065 . . . . . . . . . . . . 8 18863 5 >> 74 1 8.537 . . . . . . . . . . . . 8 18863 5 >> 74 2 38.743 . . . . . . . . . . . . 8 18863 5 >> 74 3 120.054 . . . . . . . . . . . . 8 18863 5 >> 75 1 8.511 . . . . . . . . . . . . 8 18863 5 >> 75 2 65.916 . . . . . . . . . . . . 8 18863 5 >> 75 3 119.844 . . . . . . . . . . . . 8 18863 5 >> 76 1 7.707 . . . . . . . . . . . . 8 18863 5 >> 76 2 54.424 . . . . . . . . . . . . 8 18863 5 >> 76 3 119.785 . . . . . . . . . . . . 8 18863 5 >> 77 1 7.707 . . . . . . . . . . . . 8 18863 5 >> 77 2 20.013 . . . . . . . . . . . . 8 18863 5 >> 77 3 119.802 . . . . . . . . . . . . 8 18863 5 >> 78 1 7.647 . . . . . . . . . . . . 8 18863 5 >> 78 2 60.702 . . . . . . . . . . . . 8 18863 5 >> 78 3 119.789 . . . . . . . . . . . . 8 18863 5 >> 79 1 7.632 . . . . . . . . . . . . 8 18863 5 >> 79 2 57.951 . . . . . . . . . . . . 8 18863 5 >> 79 3 119.819 . . . . . . . . . . . . 8 18863 5 >> 80 1 7.632 . . . . . . . . . . . . 8 18863 5 >> 80 2 43.730 . . . . . . . . . . . . 8 18863 5 >> 80 3 119.835 . . . . . . . . . . . . 8 18863 5 >> 81 1 7.820 . . . . . . . . . . . . 8 18863 5 >> 81 2 59.129 . . . . . . . . . . . . 8 18863 5 >> 81 3 119.774 . . . . . . . . . . . . 8 18863 5 >> 82 1 7.821 . . . . . . . . . . . . 8 18863 5 >> 82 2 43.134 . . . . . . . . . . . . 8 18863 5 >> 82 3 119.771 . . . . . . . . . . . . 8 18863 5 >> 83 1 8.082 . . . . . . . . . . . . 8 18863 5 >> 83 2 56.888 . . . . . . . . . . . . 8 18863 5 >> 83 3 119.769 . . . . . . . . . . . . 8 18863 5 >> 84 1 8.090 . . . . . . . . . . . . 8 18863 5 >> 84 2 18.896 . . . . . . . . . . . . 8 18863 5 >> 84 3 119.721 . . . . . . . . . . . . 8 18863 5 >> 85 1 8.237 . . . . . . . . . . . . 8 18863 5 >> 85 2 39.806 . . . . . . . . . . . . 8 18863 5 >> 85 3 119.754 . . . . . . . . . . . . 8 18863 5 >> 86 1 8.234 . . . . . . . . . . . . 8 18863 5 >> 86 2 63.218 . . . . . . . . . . . . 8 18863 5 >> 86 3 119.683 . . . . . . . . . . . . 8 18863 5 >> 87 1 8.472 . . . . . . . . . . . . 8 18863 5 >> 87 2 61.143 . . . . . . . . . . . . 8 18863 5 >> 87 3 119.686 . . . . . . . . . . . . 8 18863 5 >> 88 1 8.468 . . . . . . . . . . . . 8 18863 5 >> 88 2 33.433 . . . . . . . . . . . . 8 18863 5 >> 88 3 119.667 . . . . . . . . . . . . 8 18863 5 >> 89 1 8.183 . . . . . . . . . . . . 8 18863 5 >> 89 2 43.263 . . . . . . . . . . . . 8 18863 5 >> 89 3 119.572 . . . . . . . . . . . . 8 18863 5 >> 90 1 8.178 . . . . . . . . . . . . 8 18863 5 >> 90 2 59.630 . . . . . . . . . . . . 8 18863 5 >> 90 3 119.474 . . . . . . . . . . . . 8 18863 5 >> 91 1 8.077 . . . . . . . . . . . . 8 18863 5 >> 91 2 66.473 . . . . . . . . . . . . 8 18863 5 >> 91 3 119.476 . . . . . . . . . . . . 8 18863 5 >> 92 1 7.964 . . . . . . . . . . . . 8 18863 5 >> 92 2 56.813 . . . . . . . . . . . . 8 18863 5 >> 92 3 119.568 . . . . . . . . . . . . 8 18863 5 >> 93 1 7.958 . . . . . . . . . . . . 8 18863 5 >> 93 2 19.149 . . . . . . . . . . . . 8 18863 5 >> 93 3 119.554 . . . . . . . . . . . . 8 18863 5 >> 94 1 7.514 . . . . . . . . . . . . 8 18863 5 >> 94 2 59.485 . . . . . . . . . . . . 8 18863 5 >> 94 3 119.419 . . . . . . . . . . . . 8 18863 5 >> 95 1 7.514 . . . . . . . . . . . . 8 18863 5 >> 95 2 42.848 . . . . . . . . . . . . 8 18863 5 >> 95 3 119.424 . . . . . . . . . . . . 8 18863 5 >> 96 1 7.614 . . . . . . . . . . . . 8 18863 5 >> 96 2 29.253 . . . . . . . . . . . . 8 18863 5 >> 96 3 119.371 . . . . . . . . . . . . 8 18863 5 >> 97 1 7.613 . . . . . . . . . . . . 8 18863 5 >> 97 2 60.768 . . . . . . . . . . . . 8 18863 5 >> 97 3 119.303 . . . . . . . . . . . . 8 18863 5 >> 98 1 7.639 . . . . . . . . . . . . 8 18863 5 >> 98 2 54.280 . . . . . . . . . . . . 8 18863 5 >> 98 3 119.155 . . . . . . . . . . . . 8 18863 5 >> 99 1 7.638 . . . . . . . . . . . . 8 18863 5 >> 99 2 20.385 . . . . . . . . . . . . 8 18863 5 >> 99 3 119.118 . . . . . . . . . . . . 8 18863 5 >> 100 1 8.023 . . . . . . . . . . . . 8 18863 5 >> 100 2 57.154 . . . . . . . . . . . . 8 18863 5 >> 100 3 118.764 . . . . . . . . . . . . 8 18863 5 >> 101 1 8.019 . . . . . . . . . . . . 8 18863 5 >> 101 2 19.060 . . . . . . . . . . . . 8 18863 5 >> 101 3 118.777 . . . . . . . . . . . . 8 18863 5 >> 102 1 8.394 . . . . . . . . . . . . 8 18863 5 >> 102 2 60.893 . . . . . . . . . . . . 8 18863 5 >> 102 3 118.591 . . . . . . . . . . . . 8 18863 5 >> 103 1 8.391 . . . . . . . . . . . . 8 18863 5 >> 103 2 29.207 . . . . . . . . . . . . 8 18863 5 >> 103 3 118.560 . . . . . . . . . . . . 8 18863 5 >> 104 1 7.824 . . . . . . . . . . . . 8 18863 5 >> 104 2 59.582 . . . . . . . . . . . . 8 18863 5 >> 104 3 118.290 . . . . . . . . . . . . 8 18863 5 >> 105 1 7.824 . . . . . . . . . . . . 8 18863 5 >> 105 2 43.268 . . . . . . . . . . . . 8 18863 5 >> 105 3 118.283 . . . . . . . . . . . . 8 18863 5 >> 106 1 7.489 . . . . . . . . . . . . 8 18863 5 >> 106 2 47.922 . . . . . . . . . . . . 8 18863 5 >> 106 3 118.310 . . . . . . . . . . . . 8 18863 5 >> 107 1 8.396 . . . . . . . . . . . . 8 18863 5 >> 107 2 63.491 . . . . . . . . . . . . 8 18863 5 >> 107 3 118.021 . . . . . . . . . . . . 8 18863 5 >> 108 1 8.400 . . . . . . . . . . . . 8 18863 5 >> 108 2 40.704 . . . . . . . . . . . . 8 18863 5 >> 108 3 118.088 . . . . . . . . . . . . 8 18863 5 >> 109 1 7.812 . . . . . . . . . . . . 8 18863 5 >> 109 2 56.857 . . . . . . . . . . . . 8 18863 5 >> 109 3 117.921 . . . . . . . . . . . . 8 18863 5 >> 110 1 7.581 . . . . . . . . . . . . 8 18863 5 >> 110 2 58.579 . . . . . . . . . . . . 8 18863 5 >> 110 3 117.952 . . . . . . . . . . . . 8 18863 5 >> 111 1 7.586 . . . . . . . . . . . . 8 18863 5 >> 111 2 31.343 . . . . . . . . . . . . 8 18863 5 >> 111 3 117.888 . . . . . . . . . . . . 8 18863 5 >> 112 1 7.975 . . . . . . . . . . . . 8 18863 5 >> 112 2 55.468 . . . . . . . . . . . . 8 18863 5 >> 112 3 117.900 . . . . . . . . . . . . 8 18863 5 >> 113 1 7.976 . . . . . . . . . . . . 8 18863 5 >> 113 2 19.739 . . . . . . . . . . . . 8 18863 5 >> 113 3 117.881 . . . . . . . . . . . . 8 18863 5 >> 114 1 7.695 . . . . . . . . . . . . 8 18863 5 >> 114 2 66.587 . . . . . . . . . . . . 8 18863 5 >> 114 3 117.885 . . . . . . . . . . . . 8 18863 5 >> 115 1 7.697 . . . . . . . . . . . . 8 18863 5 >> 115 2 32.638 . . . . . . . . . . . . 8 18863 5 >> 115 3 117.919 . . . . . . . . . . . . 8 18863 5 >> 116 1 7.769 . . . . . . . . . . . . 8 18863 5 >> 116 2 59.554 . . . . . . . . . . . . 8 18863 5 >> 116 3 117.995 . . . . . . . . . . . . 8 18863 5 >> 117 1 7.776 . . . . . . . . . . . . 8 18863 5 >> 117 2 19.078 . . . . . . . . . . . . 8 18863 5 >> 117 3 117.814 . . . . . . . . . . . . 8 18863 5 >> 118 1 7.777 . . . . . . . . . . . . 8 18863 5 >> 118 2 57.128 . . . . . . . . . . . . 8 18863 5 >> 118 3 117.764 . . . . . . . . . . . . 8 18863 5 >> 119 1 7.901 . . . . . . . . . . . . 8 18863 5 >> 119 2 56.498 . . . . . . . . . . . . 8 18863 5 >> 119 3 117.542 . . . . . . . . . . . . 8 18863 5 >> 120 1 7.898 . . . . . . . . . . . . 8 18863 5 >> 120 2 19.503 . . . . . . . . . . . . 8 18863 5 >> 120 3 117.542 . . . . . . . . . . . . 8 18863 5 >> 121 1 7.678 . . . . . . . . . . . . 8 18863 5 >> 121 2 47.327 . . . . . . . . . . . . 8 18863 5 >> 121 3 117.366 . . . . . . . . . . . . 8 18863 5 >> 122 1 7.747 . . . . . . . . . . . . 8 18863 5 >> 122 2 59.141 . . . . . . . . . . . . 8 18863 5 >> 122 3 117.207 . . . . . . . . . . . . 8 18863 5 >> 123 1 7.749 . . . . . . . . . . . . 8 18863 5 >> 123 2 43.445 . . . . . . . . . . . . 8 18863 5 >> 123 3 117.230 . . . . . . . . . . . . 8 18863 5 >> 124 1 7.931 . . . . . . . . . . . . 8 18863 5 >> 124 2 66.689 . . . . . . . . . . . . 8 18863 5 >> 124 3 116.943 . . . . . . . . . . . . 8 18863 5 >> 125 1 7.938 . . . . . . . . . . . . 8 18863 5 >> 125 2 33.331 . . . . . . . . . . . . 8 18863 5 >> 125 3 116.912 . . . . . . . . . . . . 8 18863 5 >> 126 1 7.990 . . . . . . . . . . . . 8 18863 5 >> 126 2 61.725 . . . . . . . . . . . . 8 18863 5 >> 126 3 116.718 . . . . . . . . . . . . 8 18863 5 >> 127 1 7.988 . . . . . . . . . . . . 8 18863 5 >> 127 2 40.818 . . . . . . . . . . . . 8 18863 5 >> 127 3 116.718 . . . . . . . . . . . . 8 18863 5 >> 128 1 7.885 . . . . . . . . . . . . 8 18863 5 >> 128 2 56.118 . . . . . . . . . . . . 8 18863 5 >> 128 3 116.660 . . . . . . . . . . . . 8 18863 5 >> 129 1 7.887 . . . . . . . . . . . . 8 18863 5 >> 129 2 19.433 . . . . . . . . . . . . 8 18863 5 >> 129 3 116.676 . . . . . . . . . . . . 8 18863 5 >> 130 1 8.393 . . . . . . . . . . . . 8 18863 5 >> 130 2 56.925 . . . . . . . . . . . . 8 18863 5 >> 130 3 116.161 . . . . . . . . . . . . 8 18863 5 >> 131 1 8.392 . . . . . . . . . . . . 8 18863 5 >> 131 2 19.378 . . . . . . . . . . . . 8 18863 5 >> 131 3 116.183 . . . . . . . . . . . . 8 18863 5 >> 132 1 7.060 . . . . . . . . . . . . 8 18863 5 >> 132 2 67.741 . . . . . . . . . . . . 8 18863 5 >> 132 3 116.116 . . . . . . . . . . . . 8 18863 5 >> 133 1 7.059 . . . . . . . . . . . . 8 18863 5 >> 133 2 32.532 . . . . . . . . . . . . 8 18863 5 >> 133 3 116.101 . . . . . . . . . . . . 8 18863 5 >> 134 1 8.161 . . . . . . . . . . . . 8 18863 5 >> 134 2 56.721 . . . . . . . . . . . . 8 18863 5 >> 134 3 115.978 . . . . . . . . . . . . 8 18863 5 >> 135 1 8.156 . . . . . . . . . . . . 8 18863 5 >> 135 2 19.170 . . . . . . . . . . . . 8 18863 5 >> 135 3 115.945 . . . . . . . . . . . . 8 18863 5 >> 136 1 8.126 . . . . . . . . . . . . 8 18863 5 >> 136 2 46.175 . . . . . . . . . . . . 8 18863 5 >> 136 3 115.333 . . . . . . . . . . . . 8 18863 5 >> 137 1 8.159 . . . . . . . . . . . . 8 18863 5 >> 137 2 59.950 . . . . . . . . . . . . 8 18863 5 >> 137 3 114.892 . . . . . . . . . . . . 8 18863 5 >> 138 1 8.164 . . . . . . . . . . . . 8 18863 5 >> 138 2 43.065 . . . . . . . . . . . . 8 18863 5 >> 138 3 114.865 . . . . . . . . . . . . 8 18863 5 >> 139 1 8.144 . . . . . . . . . . . . 8 18863 5 >> 139 2 43.135 . . . . . . . . . . . . 8 18863 5 >> 139 3 114.891 . . . . . . . . . . . . 8 18863 5 >> 140 1 7.573 . . . . . . . . . . . . 8 18863 5 >> 140 2 53.199 . . . . . . . . . . . . 8 18863 5 >> 140 3 114.048 . . . . . . . . . . . . 8 18863 5 >> 141 1 7.574 . . . . . . . . . . . . 8 18863 5 >> 141 2 20.337 . . . . . . . . . . . . 8 18863 5 >> 141 3 114.043 . . . . . . . . . . . . 8 18863 5 >> 142 1 8.604 . . . . . . . . . . . . 8 18863 5 >> 142 2 60.650 . . . . . . . . . . . . 8 18863 5 >> 142 3 110.425 . . . . . . . . . . . . 8 18863 5 >> 143 1 8.597 . . . . . . . . . . . . 8 18863 5 >> 143 2 29.596 . . . . . . . . . . . . 8 18863 5 >> 143 3 110.380 . . . . . . . . . . . . 8 18863 5 >> 144 1 7.525 . . . . . . . . . . . . 8 18863 5 >> 144 2 40.269 . . . . . . . . . . . . 8 18863 5 >> 144 3 108.496 . . . . . . . . . . . . 8 18863 5 >> 145 1 8.634 . . . . . . . . . . . . 8 18863 5 >> 145 2 57.046 . . . . . . . . . . . . 8 18863 5 >> 145 3 107.554 . . . . . . . . . . . . 8 18863 5 >> 146 1 8.635 . . . . . . . . . . . . 8 18863 5 >> 146 2 19.127 . . . . . . . . . . . . 8 18863 5 >> 146 3 107.557 . . . . . . . . . . . . 8 18863 5 >> 147 1 8.062 . . . . . . . . . . . . 8 18863 5 >> 147 2 56.544 . . . . . . . . . . . . 8 18863 5 >> 147 3 107.335 . . . . . . . . . . . . 8 18863 5 >> 148 1 8.062 . . . . . . . . . . . . 8 18863 5 >> 148 2 44.095 . . . . . . . . . . . . 8 18863 5 >> 148 3 107.331 . . . . . . . . . . . . 8 18863 5 >> 149 1 7.923 . . . . . . . . . . . . 8 18863 5 >> 149 2 61.290 . . . . . . . . . . . . 8 18863 5 >> 149 3 106.585 . . . . . . . . . . . . 8 18863 5 >> 150 1 7.928 . . . . . . . . . . . . 8 18863 5 >> 150 2 40.133 . . . . . . . . . . . . 8 18863 5 >> 150 3 106.561 . . . . . . . . . . . . 8 18863 5 >> 151 1 8.025 . . . . . . . . . . . . 8 18863 5 >> 151 2 61.143 . . . . . . . . . . . . 8 18863 5 >> 151 3 106.182 . . . . . . . . . . . . 8 18863 5 >> 152 1 8.027 . . . . . . . . . . . . 8 18863 5 >> 152 2 33.865 . . . . . . . . . . . . 8 18863 5 >> 152 3 106.083 . . . . . . . . . . . . 8 18863 5 >> 153 1 8.225 . . . . . . . . . . . . 8 18863 5 >> 153 2 66.822 . . . . . . . . . . . . 8 18863 5 >> 153 3 105.547 . . . . . . . . . . . . 8 18863 5 >> 154 1 8.242 . . . . . . . . . . . . 8 18863 5 >> 154 2 32.964 . . . . . . . . . . . . 8 18863 5 >> 154 3 105.611 . . . . . . . . . . . . 8 18863 5 >> 155 1 8.228 . . . . . . . . . . . . 8 18863 5 >> 155 2 32.803 . . . . . . . . . . . . 8 18863 5 >> 155 3 105.588 . . . . . . . . . . . . 8 18863 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 . . 8.339 . 1 1 1 35 ALA H . . . . . . 5 . 18863 5 >> 1 3 . 1 . . 125.042 . 1 1 1 35 ALA N . . . . . . 6 . 18863 5 >> 2 1 . 1 . . 7.933 . 1 1 1 59 ALA H . . . . . . 7 . 18863 5 >> 2 3 . 1 . . 123.944 . 1 1 1 59 ALA N . . . . . . 8 . 18863 5 >> 3 1 . 1 . . 8.306 . 1 1 1 33 ALA H . . . . . . 9 . 18863 5 >> 3 3 . 1 . . 123.704 . 1 1 1 33 ALA N . . . . . . 10 . 18863 5 >> 4 1 . 1 . . 8.311 . 1 1 1 33 ALA H . . . . . . 9 . 18863 5 >> 4 3 . 1 . . 123.787 . 1 1 1 33 ALA N . . . . . . 10 . 18863 5 >> 5 1 . 1 . . 8.537 . 1 1 1 29 ALA H . . . . . . 11 . 18863 5 >> 5 3 . 1 . . 123.518 . 1 1 1 29 ALA N . . . . . . 12 . 18863 5 >> 6 1 . 1 . . 8.540 . 1 1 1 29 ALA H . . . . . . 11 . 18863 5 >> 6 3 . 1 . . 123.536 . 1 1 1 29 ALA N . . . . . . 12 . 18863 5 >> 7 1 . 1 . . 8.242 . 1 1 1 38 ILE H . . . . . . 13 . 18863 5 >> 7 3 . 1 . . 123.112 . 1 1 1 38 ILE N . . . . . . 14 . 18863 5 >> 8 1 . 1 . . 8.120 . 1 1 1 32 VAL H . . . . . . 15 . 18863 5 >> 8 3 . 1 . . 123.116 . 1 1 1 32 VAL N . . . . . . 16 . 18863 5 >> 9 1 . 1 . . 8.316 . 1 1 1 20 ALA H . . . . . . 17 . 18863 5 >> 9 3 . 1 . . 122.919 . 1 1 1 20 ALA N . . . . . . 18 . 18863 5 >> 10 1 . 1 . . 8.327 . 1 1 1 20 ALA H . . . . . . 17 . 18863 5 >> 10 3 . 1 . . 122.895 . 1 1 1 20 ALA N . . . . . . 18 . 18863 5 >> 11 1 . 1 . . 8.314 . 1 1 1 20 ALA H . . . . . . 17 . 18863 5 >> 11 3 . 1 . . 122.885 . 1 1 1 20 ALA N . . . . . . 18 . 18863 5 >> 12 1 . 1 . . 8.006 . 1 1 1 67 TRP H . . . . . . 19 . 18863 5 >> 12 3 . 1 . . 122.696 . 1 1 1 67 TRP N . . . . . . 20 . 18863 5 >> 13 1 . 1 . . 8.005 . 1 1 1 67 TRP H . . . . . . 19 . 18863 5 >> 13 3 . 1 . . 122.702 . 1 1 1 67 TRP N . . . . . . 20 . 18863 5 >> 14 1 . 1 . . 8.167 . 1 1 1 80 ALA H . . . . . . 21 . 18863 5 >> 14 3 . 1 . . 122.668 . 1 1 1 80 ALA N . . . . . . 22 . 18863 5 >> 15 1 . 1 . . 8.166 . 1 1 1 80 ALA H . . . . . . 21 . 18863 5 >> 15 3 . 1 . . 122.666 . 1 1 1 80 ALA N . . . . . . 22 . 18863 5 >> 16 1 . 1 . . 8.110 . 1 1 1 47 ALA H . . . . . . 23 . 18863 5 >> 16 3 . 1 . . 122.662 . 1 1 1 47 ALA N . . . . . . 24 . 18863 5 >> 17 1 . 1 . . 8.081 . 1 1 1 47 ALA H . . . . . . 23 . 18863 5 >> 17 3 . 1 . . 122.753 . 1 1 1 47 ALA N . . . . . . 24 . 18863 5 >> 18 1 . 1 . . 8.106 . 1 1 1 47 ALA H . . . . . . 23 . 18863 5 >> 18 3 . 1 . . 122.662 . 1 1 1 47 ALA N . . . . . . 24 . 18863 5 >> 19 1 . 1 . . 8.098 . 1 1 1 47 ALA H . . . . . . 23 . 18863 5 >> 20 1 . 1 . . 8.025 . 1 1 1 9 ALA H . . . . . . 25 . 18863 5 >> 20 3 . 1 . . 122.384 . 1 1 1 9 ALA N . . . . . . 26 . 18863 5 >> 21 1 . 1 . . 8.001 . 1 1 1 9 ALA H . . . . . . 25 . 18863 5 >> 21 3 . 1 . . 122.488 . 1 1 1 9 ALA N . . . . . . 26 . 18863 5 >> 22 1 . 1 . . 8.023 . 1 1 1 9 ALA H . . . . . . 25 . 18863 5 >> 22 3 . 1 . . 122.408 . 1 1 1 9 ALA N . . . . . . 26 . 18863 5 >> 23 1 . 1 . . 7.820 . 1 1 1 56 ALA H . . . . . . 27 . 18863 5 >> 23 3 . 1 . . 122.417 . 1 1 1 56 ALA N . . . . . . 28 . 18863 5 >> 24 1 . 1 . . 7.820 . 1 1 1 56 ALA H . . . . . . 27 . 18863 5 >> 24 3 . 1 . . 122.420 . 1 1 1 56 ALA N . . . . . . 28 . 18863 5 >> 25 1 . 1 . . 7.914 . 1 1 1 82 ALA H . . . . . . 29 . 18863 5 >> 25 3 . 1 . . 121.742 . 1 1 1 82 ALA N . . . . . . 30 . 18863 5 >> 26 1 . 1 . . 7.915 . 1 1 1 82 ALA H . . . . . . 29 . 18863 5 >> 26 3 . 1 . . 121.750 . 1 1 1 82 ALA N . . . . . . 30 . 18863 5 >> 27 1 . 1 . . 8.161 . 1 1 1 46 CYS H . . . . . . 31 . 18863 5 >> 27 3 . 1 . . 121.586 . 1 1 1 46 CYS N . . . . . . 32 . 18863 5 >> 28 1 . 1 . . 8.162 . 1 1 1 46 CYS H . . . . . . 31 . 18863 5 >> 28 3 . 1 . . 121.457 . 1 1 1 46 CYS N . . . . . . 32 . 18863 5 >> 29 1 . 1 . . 7.862 . 1 1 1 62 ALA H . . . . . . 33 . 18863 5 >> 29 3 . 1 . . 121.587 . 1 1 1 62 ALA N . . . . . . 34 . 18863 5 >> 30 1 . 1 . . 7.863 . 1 1 1 62 ALA H . . . . . . 33 . 18863 5 >> 30 3 . 1 . . 121.587 . 1 1 1 62 ALA N . . . . . . 34 . 18863 5 >> 31 1 . 1 . . 8.544 . 1 . . . . . . . . . . . 35 . 18863 5 >> 31 3 . 1 . . 121.468 . 1 . . . . . . . . . . . 36 . 18863 5 >> 32 1 . 1 . . 8.544 . 1 . . . . . . . . . . . 35 . 18863 5 >> 32 3 . 1 . . 121.449 . 1 . . . . . . . . . . . 36 . 18863 5 >> 33 1 . 1 . . 8.282 . 1 1 1 3 LEU H . . . . . . 37 . 18863 5 >> 33 3 . 1 . . 121.313 . 1 1 1 3 LEU N . . . . . . 38 . 18863 5 >> 34 1 . 1 . . 8.156 . 1 1 1 44 PHE H . . . . . . 39 . 18863 5 >> 34 3 . 1 . . 121.156 . 1 1 1 44 PHE N . . . . . . 40 . 18863 5 >> 37 1 . 1 . . 7.949 . 1 1 1 24 LEU H . . . . . . 43 . 18863 5 >> 37 3 . 1 . . 121.078 . 1 1 1 24 LEU N . . . . . . 44 . 18863 5 >> 38 1 . 1 . . 7.955 . 1 1 1 24 LEU H . . . . . . 43 . 18863 5 >> 38 3 . 1 . . 121.028 . 1 1 1 24 LEU N . . . . . . 44 . 18863 5 >> 39 1 . 1 . . 8.306 . 1 1 1 27 LEU H . . . . . . 45 . 18863 5 >> 39 3 . 1 . . 120.959 . 1 1 1 27 LEU N . . . . . . 46 . 18863 5 >> 40 1 . 1 . . 8.309 . 1 1 1 27 LEU H . . . . . . 45 . 18863 5 >> 40 3 . 1 . . 120.934 . 1 1 1 27 LEU N . . . . . . 46 . 18863 5 >> 41 1 . 1 . . 8.579 . 1 1 1 30 ALA H . . . . . . 47 . 18863 5 >> 41 3 . 1 . . 120.975 . 1 1 1 30 ALA N . . . . . . 48 . 18863 5 >> 42 1 . 1 . . 8.578 . 1 1 1 30 ALA H . . . . . . 47 . 18863 5 >> 42 3 . 1 . . 120.953 . 1 1 1 30 ALA N . . . . . . 48 . 18863 5 >> 43 1 . 1 . . 8.800 . 1 1 1 18 ASP H . . . . . . 49 . 18863 5 >> 43 3 . 1 . . 120.839 . 1 1 1 18 ASP N . . . . . . 50 . 18863 5 >> 44 1 . 1 . . 8.803 . 1 1 1 18 ASP H . . . . . . 49 . 18863 5 >> 44 3 . 1 . . 120.752 . 1 1 1 18 ASP N . . . . . . 50 . 18863 5 >> 45 1 . 2 . . 8.055 . 1 1 1 17 ASP H . . . . . . 228 . 18863 5 >> 45 3 . 2 . . 120.651 . 1 1 1 17 ASP N . . . . . . 229 . 18863 5 >> 46 1 . 1 . . 8.056 . 1 1 1 39 LEU H . . . . . . 51 . 18863 5 >> 46 3 . 1 . . 120.717 . 1 1 1 39 LEU N . . . . . . 52 . 18863 5 >> 47 1 . 1 . . 8.396 . 1 . . . . . . . . . . . 53 . 18863 5 >> 47 3 . 1 . . 120.642 . 1 . . . . . . . . . . . 54 . 18863 5 >> 48 1 . 1 . . 8.394 . 1 . . . . . . . . . . . 53 . 18863 5 >> 48 3 . 1 . . 120.651 . 1 . . . . . . . . . . . 54 . 18863 5 >> 49 1 . 1 . . 8.206 . 1 1 1 50 TYR H . . . . . . 55 . 18863 5 >> 49 3 . 1 . . 120.720 . 1 1 1 50 TYR N . . . . . . 56 . 18863 5 >> 50 1 . 1 . . 8.206 . 1 1 1 50 TYR H . . . . . . 55 . 18863 5 >> 50 3 . 1 . . 120.658 . 1 1 1 50 TYR N . . . . . . 56 . 18863 5 >> 51 1 . 1 . . 8.221 . 1 1 1 50 TYR H . . . . . . 55 . 18863 5 >> 51 3 . 1 . . 120.476 . 1 1 1 50 TYR N . . . . . . 56 . 18863 5 >> 52 1 . 1 . . 8.248 . 1 1 1 10 ALA H . . . . . . 57 . 18863 5 >> 52 3 . 1 . . 120.534 . 1 1 1 10 ALA N . . . . . . 58 . 18863 5 >> 53 1 . 1 . . 8.245 . 1 1 1 10 ALA H . . . . . . 57 . 18863 5 >> 53 3 . 1 . . 120.511 . 1 1 1 10 ALA N . . . . . . 58 . 18863 5 >> 54 1 . 1 . . 8.345 . 1 1 1 42 LEU H . . . . . . 59 . 18863 5 >> 54 3 . 1 . . 120.498 . 1 1 1 42 LEU N . . . . . . 60 . 18863 5 >> 55 1 . 1 . . 8.346 . 1 1 1 42 LEU H . . . . . . 59 . 18863 5 >> 55 3 . 1 . . 120.458 . 1 1 1 42 LEU N . . . . . . 60 . 18863 5 >> 56 1 . 1 . . 8.329 . 1 1 1 42 LEU H . . . . . . 59 . 18863 5 >> 56 3 . 1 . . 120.389 . 1 1 1 42 LEU N . . . . . . 60 . 18863 5 >> 57 1 . 1 . . 8.510 . 1 1 1 28 ASN H . . . . . . 61 . 18863 5 >> 57 3 . 1 . . 120.416 . 1 1 1 28 ASN N . . . . . . 62 . 18863 5 >> 58 1 . 1 . . 8.506 . 1 1 1 28 ASN H . . . . . . 61 . 18863 5 >> 58 3 . 1 . . 120.416 . 1 1 1 28 ASN N . . . . . . 62 . 18863 5 >> 59 1 . 1 . . 8.288 . 1 1 1 43 VAL H . . . . . . 63 . 18863 5 >> 59 3 . 1 . . 120.485 . 1 1 1 43 VAL N . . . . . . 64 . 18863 5 >> 60 1 . 1 . . 8.277 . 1 1 1 43 VAL H . . . . . . 63 . 18863 5 >> 60 3 . 1 . . 120.431 . 1 1 1 43 VAL N . . . . . . 64 . 18863 5 >> 61 1 . 1 . . 8.288 . 1 1 1 43 VAL H . . . . . . 63 . 18863 5 >> 61 3 . 1 . . 120.511 . 1 1 1 43 VAL N . . . . . . 64 . 18863 5 >> 62 1 . 1 . . 8.288 . 1 1 1 43 VAL H . . . . . . 63 . 18863 5 >> 62 3 . 1 . . 120.354 . 1 1 1 43 VAL N . . . . . . 64 . 18863 5 >> 63 1 . 1 . . 8.030 . 1 1 1 60 ALA H . . . . . . 65 . 18863 5 >> 63 3 . 1 . . 120.287 . 1 1 1 60 ALA N . . . . . . 66 . 18863 5 >> 64 1 . 1 . . 8.023 . 1 1 1 60 ALA H . . . . . . 65 . 18863 5 >> 64 3 . 1 . . 120.242 . 1 1 1 60 ALA N . . . . . . 66 . 18863 5 >> 65 1 . 1 . . 8.030 . 1 1 1 60 ALA H . . . . . . 65 . 18863 5 >> 65 3 . 1 . . 120.297 . 1 1 1 60 ALA N . . . . . . 66 . 18863 5 >> 66 1 . 1 . . 7.784 . 1 1 1 84 ALA H . . . . . . 67 . 18863 5 >> 66 3 . 1 . . 120.304 . 1 1 1 84 ALA N . . . . . . 68 . 18863 5 >> 67 1 . 1 . . 7.783 . 1 1 1 84 ALA H . . . . . . 67 . 18863 5 >> 67 3 . 1 . . 120.322 . 1 1 1 84 ALA N . . . . . . 68 . 18863 5 >> 68 1 . 1 . . 7.880 . 1 1 1 83 ALA H . . . . . . 69 . 18863 5 >> 68 3 . 1 . . 120.259 . 1 1 1 83 ALA N . . . . . . 70 . 18863 5 >> 69 1 . 1 . . 7.880 . 1 1 1 83 ALA H . . . . . . 69 . 18863 5 >> 69 3 . 1 . . 120.259 . 1 1 1 83 ALA N . . . . . . 70 . 18863 5 >> 70 1 . 1 . . 8.196 . 1 1 1 12 ASP H . . . . . . 71 . 18863 5 >> 70 3 . 1 . . 120.351 . 1 1 1 12 ASP N . . . . . . 72 . 18863 5 >> 71 1 . 1 . . 8.187 . 1 1 1 12 ASP H . . . . . . 71 . 18863 5 >> 71 3 . 1 . . 120.114 . 1 1 1 12 ASP N . . . . . . 72 . 18863 5 >> 72 1 . 1 . . 8.188 . 1 1 1 12 ASP H . . . . . . 71 . 18863 5 >> 72 3 . 1 . . 120.127 . 1 1 1 12 ASP N . . . . . . 72 . 18863 5 >> 73 1 . 1 . . 8.536 . 1 . . . . . . . . . . . 73 . 18863 5 >> 73 3 . 1 . . 120.065 . 1 . . . . . . . . . . . 74 . 18863 5 >> 74 1 . 1 . . 8.537 . 1 . . . . . . . . . . . 73 . 18863 5 >> 74 3 . 1 . . 120.054 . 1 . . . . . . . . . . . 74 . 18863 5 >> 75 1 . 1 . . 8.511 . 1 . . . . . . . . . . . 73 . 18863 5 >> 75 3 . 1 . . 119.844 . 1 . . . . . . . . . . . 74 . 18863 5 >> 76 1 . 1 . . 7.707 . 1 1 1 85 ALA H . . . . . . 75 . 18863 5 >> 76 3 . 1 . . 119.785 . 1 1 1 85 ALA N . . . . . . 76 . 18863 5 >> 77 1 . 1 . . 7.707 . 1 1 1 85 ALA H . . . . . . 75 . 18863 5 >> 77 3 . 1 . . 119.802 . 1 1 1 85 ALA N . . . . . . 76 . 18863 5 >> 78 1 . 1 . . 7.647 . 1 1 1 75 ALA H . . . . . . 77 . 18863 5 >> 78 3 . 1 . . 119.789 . 1 1 1 75 ALA N . . . . . . 78 . 18863 5 >> 79 1 . 1 . . 7.632 . 1 1 1 75 ALA H . . . . . . 77 . 18863 5 >> 79 3 . 1 . . 119.819 . 1 1 1 75 ALA N . . . . . . 78 . 18863 5 >> 80 1 . 1 . . 7.632 . 1 1 1 75 ALA H . . . . . . 77 . 18863 5 >> 80 3 . 1 . . 119.835 . 1 1 1 75 ALA N . . . . . . 78 . 18863 5 >> 81 1 . 1 . . 7.820 . 1 1 1 70 LEU H . . . . . . 79 . 18863 5 >> 81 3 . 1 . . 119.774 . 1 1 1 70 LEU N . . . . . . 80 . 18863 5 >> 82 1 . 1 . . 7.821 . 1 1 1 70 LEU H . . . . . . 79 . 18863 5 >> 82 3 . 1 . . 119.771 . 1 1 1 70 LEU N . . . . . . 80 . 18863 5 >> 83 1 . 1 . . 8.082 . 1 1 1 49 TRP H . . . . . . 81 . 18863 5 >> 83 3 . 1 . . 119.769 . 1 1 1 49 TRP N . . . . . . 82 . 18863 5 >> 84 1 . 1 . . 8.090 . 1 1 1 49 TRP H . . . . . . 81 . 18863 5 >> 84 3 . 1 . . 119.721 . 1 1 1 49 TRP N . . . . . . 82 . 18863 5 >> 85 1 . 1 . . 8.237 . 1 1 1 51 ILE H . . . . . . 83 . 18863 5 >> 85 3 . 1 . . 119.754 . 1 1 1 51 ILE N . . . . . . 84 . 18863 5 >> 86 1 . 1 . . 8.234 . 1 1 1 51 ILE H . . . . . . 83 . 18863 5 >> 86 3 . 1 . . 119.683 . 1 1 1 51 ILE N . . . . . . 84 . 18863 5 >> 87 1 . 1 . . 8.472 . 1 1 1 45 PHE H . . . . . . 85 . 18863 5 >> 87 3 . 1 . . 119.686 . 1 1 1 45 PHE N . . . . . . 86 . 18863 5 >> 88 1 . 1 . . 8.468 . 1 1 1 45 PHE H . . . . . . 85 . 18863 5 >> 88 3 . 1 . . 119.667 . 1 1 1 45 PHE N . . . . . . 86 . 18863 5 >> 89 1 . 1 . . 8.183 . 1 1 1 22 GLU H . . . . . . 87 . 18863 5 >> 89 3 . 1 . . 119.572 . 1 1 1 22 GLU N . . . . . . 88 . 18863 5 >> 90 1 . 1 . . 8.178 . 1 1 1 22 GLU H . . . . . . 87 . 18863 5 >> 90 3 . 1 . . 119.474 . 1 1 1 22 GLU N . . . . . . 88 . 18863 5 >> 91 1 . 1 . . 8.077 . 1 1 1 52 LYS H . . . . . . 89 . 18863 5 >> 91 3 . 1 . . 119.476 . 1 1 1 52 LYS N . . . . . . 90 . 18863 5 >> 92 1 . 1 . . 7.964 . 1 1 1 48 ALA H . . . . . . 91 . 18863 5 >> 92 3 . 1 . . 119.568 . 1 1 1 48 ALA N . . . . . . 92 . 18863 5 >> 93 1 . 1 . . 7.958 . 1 1 1 48 ALA H . . . . . . 91 . 18863 5 >> 93 3 . 1 . . 119.554 . 1 1 1 48 ALA N . . . . . . 92 . 18863 5 >> 94 1 . 1 . . 7.514 . 1 1 1 72 LEU H . . . . . . 93 . 18863 5 >> 94 3 . 1 . . 119.419 . 1 1 1 72 LEU N . . . . . . 94 . 18863 5 >> 95 1 . 1 . . 7.514 . 1 1 1 72 LEU H . . . . . . 93 . 18863 5 >> 95 3 . 1 . . 119.424 . 1 1 1 72 LEU N . . . . . . 94 . 18863 5 >> 96 1 . 1 . . 7.614 . 1 1 1 8 PHE H . . . . . . 95 . 18863 5 >> 96 3 . 1 . . 119.371 . 1 1 1 8 PHE N . . . . . . 96 . 18863 5 >> 97 1 . 1 . . 7.613 . 1 1 1 8 PHE H . . . . . . 95 . 18863 5 >> 97 3 . 1 . . 119.303 . 1 1 1 8 PHE N . . . . . . 96 . 18863 5 >> 98 1 . 1 . . 7.639 . 1 1 1 8 PHE H . . . . . . 95 . 18863 5 >> 98 3 . 1 . . 119.155 . 1 1 1 8 PHE N . . . . . . 96 . 18863 5 >> 99 1 . 1 . . 7.638 . 1 1 1 8 PHE H . . . . . . 95 . 18863 5 >> 99 3 . 1 . . 119.118 . 1 1 1 8 PHE N . . . . . . 96 . 18863 5 >> 100 1 . 1 . . 8.023 . 1 1 1 21 LEU H . . . . . . 99 . 18863 5 >> 100 3 . 1 . . 118.764 . 1 1 1 21 LEU N . . . . . . 100 . 18863 5 >> 101 1 . 1 . . 8.019 . 1 1 1 21 LEU H . . . . . . 99 . 18863 5 >> 101 3 . 1 . . 118.777 . 1 1 1 21 LEU N . . . . . . 100 . 18863 5 >> 102 1 . 1 . . 8.394 . 1 1 1 23 ASN H . . . . . . 101 . 18863 5 >> 102 3 . 1 . . 118.591 . 1 1 1 23 ASN N . . . . . . 102 . 18863 5 >> 103 1 . 1 . . 8.391 . 1 1 1 23 ASN H . . . . . . 101 . 18863 5 >> 103 3 . 1 . . 118.560 . 1 1 1 23 ASN N . . . . . . 102 . 18863 5 >> 104 1 . 1 . . 7.824 . 1 1 1 73 LEU H . . . . . . 103 . 18863 5 >> 104 3 . 1 . . 118.290 . 1 1 1 73 LEU N . . . . . . 104 . 18863 5 >> 105 1 . 1 . . 7.824 . 1 1 1 73 LEU H . . . . . . 103 . 18863 5 >> 105 3 . 1 . . 118.283 . 1 1 1 73 LEU N . . . . . . 104 . 18863 5 >> 106 1 . 1 . . 7.489 . 1 1 1 54 ARG H . . . . . . 105 . 18863 5 >> 106 3 . 1 . . 118.310 . 1 1 1 54 ARG N . . . . . . 106 . 18863 5 >> 107 1 . 1 . . 8.396 . 1 1 1 19 LYS H . . . . . . 107 . 18863 5 >> 107 3 . 1 . . 118.021 . 1 1 1 19 LYS N . . . . . . 108 . 18863 5 >> 108 1 . 1 . . 8.400 . 1 1 1 19 LYS H . . . . . . 107 . 18863 5 >> 108 2 . 1 . . 40.704 . 1 1 1 18 ASP CB . . . . . . 595 . 18863 5 >> 108 3 . 1 . . 118.088 . 1 1 1 19 LYS N . . . . . . 108 . 18863 5 >> 109 1 . 1 . . 7.812 . 1 1 1 71 LEU H . . . . . . 109 . 18863 5 >> 109 3 . 1 . . 117.921 . 1 1 1 71 LEU N . . . . . . 110 . 18863 5 >> 110 1 . 1 . . 7.581 . 1 1 1 55 LEU H . . . . . . 111 . 18863 5 >> 110 3 . 1 . . 117.952 . 1 1 1 55 LEU N . . . . . . 112 . 18863 5 >> 111 1 . 1 . . 7.586 . 1 1 1 55 LEU H . . . . . . 111 . 18863 5 >> 111 3 . 1 . . 117.888 . 1 1 1 55 LEU N . . . . . . 112 . 18863 5 >> 112 1 . 1 . . 7.975 . 1 1 1 81 TYR H . . . . . . 113 . 18863 5 >> 112 3 . 1 . . 117.900 . 1 1 1 81 TYR N . . . . . . 114 . 18863 5 >> 113 1 . 1 . . 7.976 . 1 1 1 81 TYR H . . . . . . 113 . 18863 5 >> 113 3 . 1 . . 117.881 . 1 1 1 81 TYR N . . . . . . 114 . 18863 5 >> 114 1 . 1 . . 7.695 . 1 1 1 79 ARG H . . . . . . 115 . 18863 5 >> 114 3 . 1 . . 117.885 . 1 1 1 79 ARG N . . . . . . 116 . 18863 5 >> 115 1 . 1 . . 7.697 . 1 1 1 79 ARG H . . . . . . 115 . 18863 5 >> 115 3 . 1 . . 117.919 . 1 1 1 79 ARG N . . . . . . 116 . 18863 5 >> 116 1 . 1 . . 7.769 . 1 1 1 11 MET H . . . . . . 117 . 18863 5 >> 116 3 . 1 . . 117.995 . 1 1 1 11 MET N . . . . . . 118 . 18863 5 >> 117 1 . 1 . . 7.776 . 1 1 1 11 MET H . . . . . . 117 . 18863 5 >> 117 3 . 1 . . 117.814 . 1 1 1 11 MET N . . . . . . 118 . 18863 5 >> 118 1 . 1 . . 7.777 . 1 1 1 11 MET H . . . . . . 117 . 18863 5 >> 118 3 . 1 . . 117.764 . 1 1 1 11 MET N . . . . . . 118 . 18863 5 >> 119 1 . 1 . . 7.901 . 1 1 1 61 TYR H . . . . . . 119 . 18863 5 >> 119 3 . 1 . . 117.542 . 1 1 1 61 TYR N . . . . . . 120 . 18863 5 >> 120 1 . 1 . . 7.898 . 1 1 1 61 TYR H . . . . . . 119 . 18863 5 >> 120 3 . 1 . . 117.542 . 1 1 1 61 TYR N . . . . . . 120 . 18863 5 >> 121 1 . 1 . . 7.678 . 1 1 1 66 VAL H . . . . . . 121 . 18863 5 >> 121 3 . 1 . . 117.366 . 1 1 1 66 VAL N . . . . . . 122 . 18863 5 >> 122 1 . 1 . . 7.747 . 1 1 1 74 LEU H . . . . . . 125 . 18863 5 >> 122 3 . 1 . . 117.207 . 1 1 1 74 LEU N . . . . . . 126 . 18863 5 >> 123 1 . 1 . . 7.749 . 1 1 1 74 LEU H . . . . . . 125 . 18863 5 >> 123 2 . 1 . . 43.445 . 1 1 1 73 LEU CB . . . . . . 587 . 18863 5 >> 123 3 . 1 . . 117.230 . 1 1 1 74 LEU N . . . . . . 126 . 18863 5 >> 124 1 . 1 . . 7.931 . 1 1 1 7 GLU H . . . . . . 127 . 18863 5 >> 124 3 . 1 . . 116.943 . 1 1 1 7 GLU N . . . . . . 128 . 18863 5 >> 125 1 . 1 . . 7.938 . 1 1 1 7 GLU H . . . . . . 127 . 18863 5 >> 125 3 . 1 . . 116.912 . 1 1 1 7 GLU N . . . . . . 128 . 18863 5 >> 126 1 . 1 . . 7.990 . 1 1 1 64 TYR H . . . . . . 129 . 18863 5 >> 126 3 . 1 . . 116.718 . 1 1 1 64 TYR N . . . . . . 130 . 18863 5 >> 127 1 . 1 . . 7.988 . 1 1 1 64 TYR H . . . . . . 129 . 18863 5 >> 127 3 . 1 . . 116.718 . 1 1 1 64 TYR N . . . . . . 130 . 18863 5 >> 128 1 . 1 . . 7.885 . 1 1 1 63 PHE H . . . . . . 131 . 18863 5 >> 128 3 . 1 . . 116.660 . 1 1 1 63 PHE N . . . . . . 132 . 18863 5 >> 129 1 . 1 . . 7.887 . 1 1 1 63 PHE H . . . . . . 131 . 18863 5 >> 129 3 . 1 . . 116.676 . 1 1 1 63 PHE N . . . . . . 132 . 18863 5 >> 130 1 . 1 . . 8.393 . 1 1 1 36 HIS H . . . . . . 133 . 18863 5 >> 130 3 . 1 . . 116.161 . 1 1 1 36 HIS N . . . . . . 134 . 18863 5 >> 131 1 . 1 . . 8.392 . 1 1 1 36 HIS H . . . . . . 133 . 18863 5 >> 131 3 . 1 . . 116.183 . 1 1 1 36 HIS N . . . . . . 134 . 18863 5 >> 132 1 . 1 . . 7.060 . 1 1 1 69 LEU H . . . . . . 135 . 18863 5 >> 132 3 . 1 . . 116.116 . 1 1 1 69 LEU N . . . . . . 136 . 18863 5 >> 133 1 . 1 . . 7.059 . 1 1 1 69 LEU H . . . . . . 135 . 18863 5 >> 133 3 . 1 . . 116.101 . 1 1 1 69 LEU N . . . . . . 136 . 18863 5 >> 134 1 . 1 . . 8.161 . 1 1 1 31 SER H . . . . . . 137 . 18863 5 >> 134 3 . 1 . . 115.978 . 1 1 1 31 SER N . . . . . . 138 . 18863 5 >> 135 1 . 1 . . 8.156 . 1 1 1 31 SER H . . . . . . 137 . 18863 5 >> 135 3 . 1 . . 115.945 . 1 1 1 31 SER N . . . . . . 138 . 18863 5 >> 136 1 . 1 . . 8.126 . 1 1 1 5 SER H . . . . . . 139 . 18863 5 >> 136 3 . 1 . . 115.333 . 1 1 1 5 SER N . . . . . . 140 . 18863 5 >> 137 1 . 1 . . 8.159 . 1 1 1 40 SER H . . . . . . 141 . 18863 5 >> 137 3 . 1 . . 114.892 . 1 1 1 40 SER N . . . . . . 142 . 18863 5 >> 138 1 . 1 . . 8.164 . 1 1 1 40 SER H . . . . . . 141 . 18863 5 >> 138 3 . 1 . . 114.865 . 1 1 1 40 SER N . . . . . . 142 . 18863 5 >> 139 1 . 1 . . 8.144 . 1 1 1 40 SER H . . . . . . 141 . 18863 5 >> 139 3 . 1 . . 114.891 . 1 1 1 40 SER N . . . . . . 142 . 18863 5 >> 140 1 . 1 . . 7.573 . 1 1 1 86 SER H . . . . . . 143 . 18863 5 >> 140 3 . 1 . . 114.048 . 1 1 1 86 SER N . . . . . . 144 . 18863 5 >> 141 1 . 1 . . 7.574 . 1 1 1 86 SER H . . . . . . 143 . 18863 5 >> 141 3 . 1 . . 114.043 . 1 1 1 86 SER N . . . . . . 144 . 18863 5 >> 142 1 . 1 . . 8.604 . 1 1 1 37 GLY H . . . . . . 145 . 18863 5 >> 142 3 . 1 . . 110.425 . 1 1 1 37 GLY N . . . . . . 146 . 18863 5 >> 143 1 . 1 . . 8.597 . 1 1 1 37 GLY H . . . . . . 145 . 18863 5 >> 143 3 . 1 . . 110.380 . 1 1 1 37 GLY N . . . . . . 146 . 18863 5 >> 144 1 . 1 . . 7.525 . 1 1 1 23 ASN HD21 . . . . . . 151 . 18863 5 >> 144 3 . 1 . . 108.496 . 1 1 1 23 ASN ND2 . . . . . . 152 . 18863 5 >> 145 1 . 1 . . 8.634 . 1 1 1 34 GLY H . . . . . . 155 . 18863 5 >> 145 3 . 1 . . 107.554 . 1 1 1 34 GLY N . . . . . . 156 . 18863 5 >> 146 1 . 1 . . 8.635 . 1 1 1 34 GLY H . . . . . . 155 . 18863 5 >> 146 3 . 1 . . 107.557 . 1 1 1 34 GLY N . . . . . . 156 . 18863 5 >> 147 1 . 1 . . 8.062 . 1 1 1 4 GLY H . . . . . . 157 . 18863 5 >> 147 3 . 1 . . 107.335 . 1 1 1 4 GLY N . . . . . . 158 . 18863 5 >> 148 1 . 1 . . 8.062 . 1 1 1 4 GLY H . . . . . . 157 . 18863 5 >> 148 3 . 1 . . 107.331 . 1 1 1 4 GLY N . . . . . . 158 . 18863 5 >> 149 1 . 1 . . 7.923 . 1 1 1 65 GLY H . . . . . . 159 . 18863 5 >> 149 3 . 1 . . 106.585 . 1 1 1 65 GLY N . . . . . . 160 . 18863 5 >> 150 1 . 1 . . 7.928 . 1 1 1 65 GLY H . . . . . . 159 . 18863 5 >> 150 3 . 1 . . 106.561 . 1 1 1 65 GLY N . . . . . . 160 . 18863 5 >> 151 1 . 1 . . 8.025 . 1 . . . . . . . . . . . 161 . 18863 5 >> 151 3 . 1 . . 106.182 . 1 1 1 53 GLY N . . . . . . 162 . 18863 5 >> 152 1 . 1 . . 8.027 . 1 . . . . . . . . . . . 161 . 18863 5 >> 152 3 . 1 . . 106.083 . 1 1 1 53 GLY N . . . . . . 162 . 18863 5 >> 153 1 . 1 . . 8.225 . 1 1 1 58 GLY H . . . . . . 163 . 18863 5 >> 153 3 . 1 . . 105.547 . 1 1 1 58 GLY N . . . . . . 164 . 18863 5 >> 154 1 . 1 . . 8.242 . 1 1 1 58 GLY H . . . . . . 163 . 18863 5 >> 154 3 . 1 . . 105.611 . 1 1 1 58 GLY N . . . . . . 164 . 18863 5 >> 155 1 . 1 . . 8.228 . 1 1 1 58 GLY H . . . . . . 163 . 18863 5 >> 155 3 . 1 . . 105.588 . 1 1 1 58 GLY N . . . . . . 164 . 18863 5 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2_3_4_5_6 _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 $methanol_CN _Sample_conditions_label $methanol_25c _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 18863 >> _Spectral_peak_list.ID 6 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $methanol_CN >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $methanol_25c >> _Spectral_peak_list.Experiment_ID 6 >> _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 . 2002.992 . . . 18863 6 >> 2 C 13 13C . 1200.000 . . . 18863 6 >> 3 N 15 15N . 1400.021 . . . 18863 6 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 18863 6 >> 2 1.0 . 18863 6 >> 3 1.0 . 18863 6 >> 4 1.0 . 18863 6 >> 5 1.0 . 18863 6 >> 6 1.0 . 18863 6 >> 7 1.0 . 18863 6 >> 8 1.0 . 18863 6 >> 9 1.0 . 18863 6 >> 10 1.0 . 18863 6 >> 11 1.0 . 18863 6 >> 12 1.0 . 18863 6 >> 13 1.0 . 18863 6 >> 14 1.0 . 18863 6 >> 15 1.0 . 18863 6 >> 16 1.0 . 18863 6 >> 17 1.0 . 18863 6 >> 18 1.0 . 18863 6 >> 19 1.0 . 18863 6 >> 20 1.0 . 18863 6 >> 21 1.0 . 18863 6 >> 22 1.0 . 18863 6 >> 23 1.0 . 18863 6 >> 24 1.0 . 18863 6 >> 25 1.0 . 18863 6 >> 26 1.0 . 18863 6 >> 27 1.0 . 18863 6 >> 28 1.0 . 18863 6 >> 29 1.0 . 18863 6 >> 30 1.0 . 18863 6 >> 31 1.0 . 18863 6 >> 32 1.0 . 18863 6 >> 33 1.0 . 18863 6 >> 34 1.0 . 18863 6 >> 35 1.0 . 18863 6 >> 36 1.0 . 18863 6 >> 37 1.0 . 18863 6 >> 38 1.0 . 18863 6 >> 39 1.0 . 18863 6 >> 40 1.0 . 18863 6 >> 41 1.0 . 18863 6 >> 42 1.0 . 18863 6 >> 43 1.0 . 18863 6 >> 44 1.0 . 18863 6 >> 45 1.0 . 18863 6 >> 46 1.0 . 18863 6 >> 47 1.0 . 18863 6 >> 48 1.0 . 18863 6 >> 49 1.0 . 18863 6 >> 50 1.0 . 18863 6 >> 51 1.0 . 18863 6 >> 52 1.0 . 18863 6 >> 53 1.0 . 18863 6 >> 54 1.0 . 18863 6 >> 55 1.0 . 18863 6 >> 56 1.0 . 18863 6 >> 57 1.0 . 18863 6 >> 58 1.0 . 18863 6 >> 59 1.0 . 18863 6 >> 60 1.0 . 18863 6 >> 61 1.0 . 18863 6 >> 62 1.0 . 18863 6 >> 63 1.0 . 18863 6 >> 64 1.0 . 18863 6 >> 65 1.0 . 18863 6 >> 66 1.0 . 18863 6 >> 67 1.0 . 18863 6 >> 68 1.0 . 18863 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 4341893.5000 . height 18863 6 >> 1 58017243.7031 . volume 18863 6 >> 2 3394647.0000 . height 18863 6 >> 2 46243804.3125 . volume 18863 6 >> 3 6106408.5000 . height 18863 6 >> 3 84637163.6250 . volume 18863 6 >> 4 5536811.5000 . height 18863 6 >> 4 76459888.6250 . volume 18863 6 >> 5 6855447.0000 . height 18863 6 >> 5 90847452.2500 . volume 18863 6 >> 6 6687904.0000 . height 18863 6 >> 6 93121628.6875 . volume 18863 6 >> 7 5979420.0000 . height 18863 6 >> 7 77314000.0000 . volume 18863 6 >> 8 6747005.5000 . height 18863 6 >> 8 92667893.3750 . volume 18863 6 >> 9 5414247.5000 . height 18863 6 >> 9 77351001.0000 . volume 18863 6 >> 10 6947328.5000 . height 18863 6 >> 10 88175518.2500 . volume 18863 6 >> 11 5944062.5000 . height 18863 6 >> 11 81653852.1250 . volume 18863 6 >> 12 5922018.0000 . height 18863 6 >> 12 78710661.7500 . volume 18863 6 >> 13 5319664.5000 . height 18863 6 >> 13 78518371.8750 . volume 18863 6 >> 14 5608165.5000 . height 18863 6 >> 14 75132803.6250 . volume 18863 6 >> 15 4115570.2500 . height 18863 6 >> 15 58025454.6250 . volume 18863 6 >> 16 6058537.0000 . height 18863 6 >> 16 80903950.7500 . volume 18863 6 >> 17 5263364.0000 . height 18863 6 >> 17 69471607.9375 . volume 18863 6 >> 18 4456814.0000 . height 18863 6 >> 18 63434758.3750 . volume 18863 6 >> 19 5884701.5000 . height 18863 6 >> 19 75395242.0625 . volume 18863 6 >> 20 5039857.5000 . height 18863 6 >> 20 78418472.6875 . volume 18863 6 >> 21 4011256.7500 . height 18863 6 >> 21 58156591.6250 . volume 18863 6 >> 22 4230446.5000 . height 18863 6 >> 22 61414302.3125 . volume 18863 6 >> 23 4631116.0000 . height 18863 6 >> 23 60892133.5469 . volume 18863 6 >> 24 5260752.5000 . height 18863 6 >> 24 71473780.6250 . volume 18863 6 >> 25 5786390.0000 . height 18863 6 >> 25 75621570.9375 . volume 18863 6 >> 26 6167661.5000 . height 18863 6 >> 26 83878225.2500 . volume 18863 6 >> 27 6883960.5000 . height 18863 6 >> 27 95370545.8750 . volume 18863 6 >> 28 5300585.5000 . height 18863 6 >> 28 77722106.2500 . volume 18863 6 >> 29 3989466.5000 . height 18863 6 >> 29 57688706.1562 . volume 18863 6 >> 30 3987717.5000 . height 18863 6 >> 30 53867359.5625 . volume 18863 6 >> 31 4648240.0000 . height 18863 6 >> 31 57708207.8438 . volume 18863 6 >> 32 4787287.5000 . height 18863 6 >> 32 60625259.3750 . volume 18863 6 >> 33 4441596.0000 . height 18863 6 >> 33 61907476.8750 . volume 18863 6 >> 34 6481068.5000 . height 18863 6 >> 34 93691711.1250 . volume 18863 6 >> 35 6197684.5000 . height 18863 6 >> 35 81560030.6875 . volume 18863 6 >> 36 8748813.0000 . height 18863 6 >> 36 117737469.3750 . volume 18863 6 >> 37 7918950.0000 . height 18863 6 >> 37 111034852.3750 . volume 18863 6 >> 38 13431839.0000 . height 18863 6 >> 38 183365599.2500 . volume 18863 6 >> 39 13858996.0000 . height 18863 6 >> 39 183900212.7500 . volume 18863 6 >> 40 12774089.0000 . height 18863 6 >> 40 179245239.5000 . volume 18863 6 >> 41 14596190.0000 . height 18863 6 >> 41 185127136.0000 . volume 18863 6 >> 42 14666398.0000 . height 18863 6 >> 42 211980860.5000 . volume 18863 6 >> 43 12949496.0000 . height 18863 6 >> 43 192760626.9380 . volume 18863 6 >> 44 11166198.0000 . height 18863 6 >> 44 168871904.0000 . volume 18863 6 >> 45 17518580.0000 . height 18863 6 >> 45 223449898.5000 . volume 18863 6 >> 46 14715651.0000 . height 18863 6 >> 46 202669626.2500 . volume 18863 6 >> 47 13488504.0000 . height 18863 6 >> 47 188628207.8750 . volume 18863 6 >> 48 11716531.0000 . height 18863 6 >> 48 185635838.6880 . volume 18863 6 >> 49 12975228.0000 . height 18863 6 >> 49 175313466.2500 . volume 18863 6 >> 50 15797817.0000 . height 18863 6 >> 50 221072610.2500 . volume 18863 6 >> 51 14743056.0000 . height 18863 6 >> 51 218692184.8750 . volume 18863 6 >> 52 11218430.0000 . height 18863 6 >> 52 149809873.2500 . volume 18863 6 >> 53 16405429.0000 . height 18863 6 >> 53 225501501.2500 . volume 18863 6 >> 54 16067542.0000 . height 18863 6 >> 54 219569850.0000 . volume 18863 6 >> 55 20427252.0000 . height 18863 6 >> 55 272304462.7500 . volume 18863 6 >> 56 21955476.0000 . height 18863 6 >> 56 286528306.2500 . volume 18863 6 >> 57 20955536.0000 . height 18863 6 >> 57 274659476.2500 . volume 18863 6 >> 58 18571872.0000 . height 18863 6 >> 58 264567505.0000 . volume 18863 6 >> 59 21085488.0000 . height 18863 6 >> 59 289092247.5000 . volume 18863 6 >> 60 2743061.5000 . height 18863 6 >> 60 36923488.7812 . volume 18863 6 >> 61 23836466.0000 . height 18863 6 >> 61 315028842.0000 . volume 18863 6 >> 62 19505074.0000 . height 18863 6 >> 62 255708087.5000 . volume 18863 6 >> 63 9248704.0000 . height 18863 6 >> 63 137576444.3750 . volume 18863 6 >> 64 6817220.0000 . height 18863 6 >> 64 92975001.3125 . volume 18863 6 >> 65 28259636.0000 . height 18863 6 >> 65 381945932.5000 . volume 18863 6 >> 66 5000769.0000 . height 18863 6 >> 66 71049638.3750 . volume 18863 6 >> 67 4693426.5000 . height 18863 6 >> 67 66848124.7500 . volume 18863 6 >> 68 5213063.5000 . height 18863 6 >> 68 76658232.8438 . volume 18863 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 8.398 . . . . . . . . . . . . 8 18863 6 >> 1 2 178.853 . . . . . . . . . . . . 8 18863 6 >> 1 3 117.986 . . . . . . . . . . . . 8 18863 6 >> 2 1 8.308 . . . . . . . . . . . . 8 18863 6 >> 2 2 178.133 . . . . . . . . . . . . 8 18863 6 >> 2 3 122.868 . . . . . . . . . . . . 8 18863 6 >> 3 1 8.019 . . . . . . . . . . . . 8 18863 6 >> 3 2 181.166 . . . . . . . . . . . . 8 18863 6 >> 3 3 118.732 . . . . . . . . . . . . 8 18863 6 >> 4 1 8.180 . . . . . . . . . . . . 8 18863 6 >> 4 2 180.035 . . . . . . . . . . . . 8 18863 6 >> 4 3 119.509 . . . . . . . . . . . . 8 18863 6 >> 5 1 8.395 . . . . . . . . . . . . 8 18863 6 >> 5 2 179.414 . . . . . . . . . . . . 8 18863 6 >> 5 3 118.570 . . . . . . . . . . . . 8 18863 6 >> 6 1 7.956 . . . . . . . . . . . . 8 18863 6 >> 6 2 178.905 . . . . . . . . . . . . 8 18863 6 >> 6 3 121.057 . . . . . . . . . . . . 8 18863 6 >> 7 1 8.306 . . . . . . . . . . . . 8 18863 6 >> 7 2 179.182 . . . . . . . . . . . . 8 18863 6 >> 7 3 120.965 . . . . . . . . . . . . 8 18863 6 >> 8 1 8.131 . . . . . . . . . . . . 8 18863 6 >> 8 2 180.102 . . . . . . . . . . . . 8 18863 6 >> 8 3 121.107 . . . . . . . . . . . . 8 18863 6 >> 9 1 8.508 . . . . . . . . . . . . 8 18863 6 >> 9 2 181.007 . . . . . . . . . . . . 8 18863 6 >> 9 3 120.442 . . . . . . . . . . . . 8 18863 6 >> 10 1 8.538 . . . . . . . . . . . . 8 18863 6 >> 10 2 178.841 . . . . . . . . . . . . 8 18863 6 >> 10 3 123.542 . . . . . . . . . . . . 8 18863 6 >> 11 1 8.580 . . . . . . . . . . . . 8 18863 6 >> 11 2 181.060 . . . . . . . . . . . . 8 18863 6 >> 11 3 120.944 . . . . . . . . . . . . 8 18863 6 >> 12 1 8.160 . . . . . . . . . . . . 8 18863 6 >> 12 2 181.423 . . . . . . . . . . . . 8 18863 6 >> 12 3 115.967 . . . . . . . . . . . . 8 18863 6 >> 13 1 8.121 . . . . . . . . . . . . 8 18863 6 >> 13 2 177.982 . . . . . . . . . . . . 8 18863 6 >> 13 3 123.092 . . . . . . . . . . . . 8 18863 6 >> 14 1 8.309 . . . . . . . . . . . . 8 18863 6 >> 14 2 179.493 . . . . . . . . . . . . 8 18863 6 >> 14 3 123.705 . . . . . . . . . . . . 8 18863 6 >> 15 1 8.634 . . . . . . . . . . . . 8 18863 6 >> 15 2 182.100 . . . . . . . . . . . . 8 18863 6 >> 15 3 107.542 . . . . . . . . . . . . 8 18863 6 >> 16 1 8.339 . . . . . . . . . . . . 8 18863 6 >> 16 2 176.822 . . . . . . . . . . . . 8 18863 6 >> 16 3 125.040 . . . . . . . . . . . . 8 18863 6 >> 17 1 8.393 . . . . . . . . . . . . 8 18863 6 >> 17 2 180.963 . . . . . . . . . . . . 8 18863 6 >> 17 3 116.168 . . . . . . . . . . . . 8 18863 6 >> 18 1 8.602 . . . . . . . . . . . . 8 18863 6 >> 18 2 178.820 . . . . . . . . . . . . 8 18863 6 >> 18 3 110.490 . . . . . . . . . . . . 8 18863 6 >> 19 1 8.239 . . . . . . . . . . . . 8 18863 6 >> 19 2 176.607 . . . . . . . . . . . . 8 18863 6 >> 19 3 123.118 . . . . . . . . . . . . 8 18863 6 >> 20 1 8.085 . . . . . . . . . . . . 8 18863 6 >> 20 2 179.097 . . . . . . . . . . . . 8 18863 6 >> 20 3 120.553 . . . . . . . . . . . . 8 18863 6 >> 21 1 8.158 . . . . . . . . . . . . 8 18863 6 >> 21 2 180.014 . . . . . . . . . . . . 8 18863 6 >> 21 3 114.848 . . . . . . . . . . . . 8 18863 6 >> 22 1 8.345 . . . . . . . . . . . . 8 18863 6 >> 22 2 178.437 . . . . . . . . . . . . 8 18863 6 >> 22 3 120.478 . . . . . . . . . . . . 8 18863 6 >> 23 1 8.290 . . . . . . . . . . . . 8 18863 6 >> 23 2 178.743 . . . . . . . . . . . . 8 18863 6 >> 23 3 120.349 . . . . . . . . . . . . 8 18863 6 >> 24 1 8.159 . . . . . . . . . . . . 8 18863 6 >> 24 2 179.484 . . . . . . . . . . . . 8 18863 6 >> 24 3 121.155 . . . . . . . . . . . . 8 18863 6 >> 25 1 8.471 . . . . . . . . . . . . 8 18863 6 >> 25 2 179.663 . . . . . . . . . . . . 8 18863 6 >> 25 3 119.664 . . . . . . . . . . . . 8 18863 6 >> 26 1 8.162 . . . . . . . . . . . . 8 18863 6 >> 26 2 178.653 . . . . . . . . . . . . 8 18863 6 >> 26 3 121.587 . . . . . . . . . . . . 8 18863 6 >> 27 1 8.109 . . . . . . . . . . . . 8 18863 6 >> 27 2 179.199 . . . . . . . . . . . . 8 18863 6 >> 27 3 122.664 . . . . . . . . . . . . 8 18863 6 >> 28 1 7.966 . . . . . . . . . . . . 8 18863 6 >> 28 2 180.011 . . . . . . . . . . . . 8 18863 6 >> 28 3 119.574 . . . . . . . . . . . . 8 18863 6 >> 29 1 8.084 . . . . . . . . . . . . 8 18863 6 >> 29 2 180.835 . . . . . . . . . . . . 8 18863 6 >> 29 3 119.785 . . . . . . . . . . . . 8 18863 6 >> 30 1 8.207 . . . . . . . . . . . . 8 18863 6 >> 30 2 179.573 . . . . . . . . . . . . 8 18863 6 >> 30 3 120.685 . . . . . . . . . . . . 8 18863 6 >> 31 1 8.236 . . . . . . . . . . . . 8 18863 6 >> 31 2 179.396 . . . . . . . . . . . . 8 18863 6 >> 31 3 119.681 . . . . . . . . . . . . 8 18863 6 >> 32 1 8.081 . . . . . . . . . . . . 8 18863 6 >> 32 2 179.052 . . . . . . . . . . . . 8 18863 6 >> 32 3 119.423 . . . . . . . . . . . . 8 18863 6 >> 33 1 8.028 . . . . . . . . . . . . 8 18863 6 >> 33 2 179.727 . . . . . . . . . . . . 8 18863 6 >> 33 3 106.202 . . . . . . . . . . . . 8 18863 6 >> 34 1 7.488 . . . . . . . . . . . . 8 18863 6 >> 34 2 175.912 . . . . . . . . . . . . 8 18863 6 >> 34 3 118.301 . . . . . . . . . . . . 8 18863 6 >> 35 1 7.584 . . . . . . . . . . . . 8 18863 6 >> 35 2 178.381 . . . . . . . . . . . . 8 18863 6 >> 35 3 117.959 . . . . . . . . . . . . 8 18863 6 >> 36 1 7.821 . . . . . . . . . . . . 8 18863 6 >> 36 2 178.286 . . . . . . . . . . . . 8 18863 6 >> 36 3 122.421 . . . . . . . . . . . . 8 18863 6 >> 37 1 8.224 . . . . . . . . . . . . 8 18863 6 >> 37 2 179.489 . . . . . . . . . . . . 8 18863 6 >> 37 3 105.549 . . . . . . . . . . . . 8 18863 6 >> 38 1 7.934 . . . . . . . . . . . . 8 18863 6 >> 38 2 176.415 . . . . . . . . . . . . 8 18863 6 >> 38 3 123.944 . . . . . . . . . . . . 8 18863 6 >> 39 1 8.032 . . . . . . . . . . . . 8 18863 6 >> 39 2 180.038 . . . . . . . . . . . . 8 18863 6 >> 39 3 120.289 . . . . . . . . . . . . 8 18863 6 >> 40 1 7.903 . . . . . . . . . . . . 8 18863 6 >> 40 2 180.178 . . . . . . . . . . . . 8 18863 6 >> 40 3 117.528 . . . . . . . . . . . . 8 18863 6 >> 41 1 7.864 . . . . . . . . . . . . 8 18863 6 >> 41 2 178.829 . . . . . . . . . . . . 8 18863 6 >> 41 3 121.583 . . . . . . . . . . . . 8 18863 6 >> 42 1 7.887 . . . . . . . . . . . . 8 18863 6 >> 42 2 179.646 . . . . . . . . . . . . 8 18863 6 >> 42 3 116.670 . . . . . . . . . . . . 8 18863 6 >> 43 1 7.988 . . . . . . . . . . . . 8 18863 6 >> 43 2 177.655 . . . . . . . . . . . . 8 18863 6 >> 43 3 116.730 . . . . . . . . . . . . 8 18863 6 >> 44 1 7.931 . . . . . . . . . . . . 8 18863 6 >> 44 2 177.901 . . . . . . . . . . . . 8 18863 6 >> 44 3 106.521 . . . . . . . . . . . . 8 18863 6 >> 45 1 8.007 . . . . . . . . . . . . 8 18863 6 >> 45 2 177.991 . . . . . . . . . . . . 8 18863 6 >> 45 3 122.692 . . . . . . . . . . . . 8 18863 6 >> 46 1 7.061 . . . . . . . . . . . . 8 18863 6 >> 46 2 179.415 . . . . . . . . . . . . 8 18863 6 >> 46 3 116.123 . . . . . . . . . . . . 8 18863 6 >> 47 1 7.821 . . . . . . . . . . . . 8 18863 6 >> 47 2 179.671 . . . . . . . . . . . . 8 18863 6 >> 47 3 119.779 . . . . . . . . . . . . 8 18863 6 >> 48 1 7.678 . . . . . . . . . . . . 8 18863 6 >> 48 2 175.412 . . . . . . . . . . . . 8 18863 6 >> 48 3 117.311 . . . . . . . . . . . . 8 18863 6 >> 49 1 7.747 . . . . . . . . . . . . 8 18863 6 >> 49 2 180.043 . . . . . . . . . . . . 8 18863 6 >> 49 3 117.215 . . . . . . . . . . . . 8 18863 6 >> 50 1 7.633 . . . . . . . . . . . . 8 18863 6 >> 50 2 178.754 . . . . . . . . . . . . 8 18863 6 >> 50 3 119.826 . . . . . . . . . . . . 8 18863 6 >> 51 1 7.640 . . . . . . . . . . . . 8 18863 6 >> 51 2 178.868 . . . . . . . . . . . . 8 18863 6 >> 51 3 119.092 . . . . . . . . . . . . 8 18863 6 >> 52 1 7.698 . . . . . . . . . . . . 8 18863 6 >> 52 2 179.039 . . . . . . . . . . . . 8 18863 6 >> 52 3 117.888 . . . . . . . . . . . . 8 18863 6 >> 53 1 8.168 . . . . . . . . . . . . 8 18863 6 >> 53 2 178.213 . . . . . . . . . . . . 8 18863 6 >> 53 3 122.667 . . . . . . . . . . . . 8 18863 6 >> 54 1 7.976 . . . . . . . . . . . . 8 18863 6 >> 54 2 179.703 . . . . . . . . . . . . 8 18863 6 >> 54 3 117.903 . . . . . . . . . . . . 8 18863 6 >> 55 1 7.916 . . . . . . . . . . . . 8 18863 6 >> 55 2 177.824 . . . . . . . . . . . . 8 18863 6 >> 55 3 121.762 . . . . . . . . . . . . 8 18863 6 >> 56 1 7.880 . . . . . . . . . . . . 8 18863 6 >> 56 2 179.637 . . . . . . . . . . . . 8 18863 6 >> 56 3 120.261 . . . . . . . . . . . . 8 18863 6 >> 57 1 7.786 . . . . . . . . . . . . 8 18863 6 >> 57 2 179.256 . . . . . . . . . . . . 8 18863 6 >> 57 3 120.300 . . . . . . . . . . . . 8 18863 6 >> 58 1 7.707 . . . . . . . . . . . . 8 18863 6 >> 58 2 178.081 . . . . . . . . . . . . 8 18863 6 >> 58 3 119.800 . . . . . . . . . . . . 8 18863 6 >> 59 1 7.574 . . . . . . . . . . . . 8 18863 6 >> 59 2 177.735 . . . . . . . . . . . . 8 18863 6 >> 59 3 114.048 . . . . . . . . . . . . 8 18863 6 >> 60 1 8.284 . . . . . . . . . . . . 8 18863 6 >> 60 2 176.672 . . . . . . . . . . . . 8 18863 6 >> 60 3 121.328 . . . . . . . . . . . . 8 18863 6 >> 61 1 8.062 . . . . . . . . . . . . 8 18863 6 >> 61 2 177.985 . . . . . . . . . . . . 8 18863 6 >> 61 3 107.336 . . . . . . . . . . . . 8 18863 6 >> 62 1 8.127 . . . . . . . . . . . . 8 18863 6 >> 62 2 174.678 . . . . . . . . . . . . 8 18863 6 >> 62 3 115.331 . . . . . . . . . . . . 8 18863 6 >> 63 1 7.933 . . . . . . . . . . . . 8 18863 6 >> 63 2 178.976 . . . . . . . . . . . . 8 18863 6 >> 63 3 116.947 . . . . . . . . . . . . 8 18863 6 >> 64 1 8.023 . . . . . . . . . . . . 8 18863 6 >> 64 2 178.920 . . . . . . . . . . . . 8 18863 6 >> 64 3 122.405 . . . . . . . . . . . . 8 18863 6 >> 65 1 8.188 . . . . . . . . . . . . 8 18863 6 >> 65 2 177.449 . . . . . . . . . . . . 8 18863 6 >> 65 3 120.114 . . . . . . . . . . . . 8 18863 6 >> 66 1 7.778 . . . . . . . . . . . . 8 18863 6 >> 66 2 181.157 . . . . . . . . . . . . 8 18863 6 >> 66 3 117.823 . . . . . . . . . . . . 8 18863 6 >> 67 1 8.252 . . . . . . . . . . . . 8 18863 6 >> 67 2 180.319 . . . . . . . . . . . . 8 18863 6 >> 67 3 120.538 . . . . . . . . . . . . 8 18863 6 >> 68 1 8.053 . . . . . . . . . . . . 8 18863 6 >> 68 2 179.639 . . . . . . . . . . . . 8 18863 6 >> 68 3 120.608 . . . . . . . . . . . . 8 18863 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 2 . 1 . . 178.853 . 1 1 1 18 ASP C . . . . . . 514 . 18863 6 >> 2 2 . 1 . . 178.133 . 1 1 1 19 LYS C . . . . . . 517 . 18863 6 >> 3 2 . 1 . . 181.166 . 1 1 1 20 ALA C . . . . . . 518 . 18863 6 >> 4 2 . 1 . . 180.035 . 1 1 1 21 LEU C . . . . . . 519 . 18863 6 >> 5 2 . 1 . . 179.414 . 1 1 1 22 GLU C . . . . . . 520 . 18863 6 >> 6 2 . 1 . . 178.905 . 1 1 1 23 ASN C . . . . . . 521 . 18863 6 >> 7 2 . 1 . . 179.182 . 1 1 1 26 VAL C . . . . . . 522 . 18863 6 >> 8 2 . 1 . . 180.102 . 1 1 1 24 LEU C . . . . . . 523 . 18863 6 >> 9 2 . 1 . . 181.007 . 1 1 1 27 LEU C . . . . . . 524 . 18863 6 >> 10 2 . 1 . . 178.841 . 1 1 1 28 ASN C . . . . . . 525 . 18863 6 >> 11 2 . 1 . . 181.060 . 1 1 1 29 ALA C . . . . . . 526 . 18863 6 >> 12 2 . 1 . . 181.423 . 1 1 1 30 ALA C . . . . . . 527 . 18863 6 >> 13 2 . 1 . . 177.982 . 1 1 1 31 SER C . . . . . . 528 . 18863 6 >> 14 2 . 1 . . 179.493 . 1 1 1 32 VAL C . . . . . . 529 . 18863 6 >> 15 2 . 1 . . 182.100 . 1 1 1 33 ALA C . . . . . . 530 . 18863 6 >> 16 2 . 1 . . 176.822 . 1 1 1 34 GLY C . . . . . . 531 . 18863 6 >> 17 2 . 1 . . 180.963 . 1 1 1 35 ALA C . . . . . . 532 . 18863 6 >> 18 2 . 1 . . 178.820 . 1 1 1 36 HIS C . . . . . . 533 . 18863 6 >> 19 2 . 1 . . 176.607 . 1 1 1 37 GLY C . . . . . . 534 . 18863 6 >> 20 2 . 1 . . 179.097 . 1 1 1 38 ILE C . . . . . . 535 . 18863 6 >> 21 2 . 1 . . 180.014 . 1 1 1 39 LEU C . . . . . . 536 . 18863 6 >> 22 2 . 1 . . 178.437 . 1 1 1 41 PHE C . . . . . . 537 . 18863 6 >> 23 2 . 1 . . 178.743 . 1 1 1 42 LEU C . . . . . . 538 . 18863 6 >> 24 2 . 1 . . 179.484 . 1 1 1 43 VAL C . . . . . . 539 . 18863 6 >> 25 2 . 1 . . 179.663 . 1 1 1 44 PHE C . . . . . . 540 . 18863 6 >> 26 2 . 1 . . 178.653 . 1 1 1 45 PHE C . . . . . . 541 . 18863 6 >> 27 2 . 1 . . 179.199 . 1 1 1 46 CYS C . . . . . . 542 . 18863 6 >> 28 2 . 1 . . 180.011 . 1 1 1 47 ALA C . . . . . . 543 . 18863 6 >> 29 2 . 1 . . 180.835 . 1 1 1 48 ALA C . . . . . . 544 . 18863 6 >> 30 2 . 1 . . 179.573 . 1 1 1 49 TRP C . . . . . . 545 . 18863 6 >> 31 2 . 1 . . 179.396 . 1 1 1 50 TYR C . . . . . . 546 . 18863 6 >> 32 2 . 1 . . 179.052 . 1 1 1 51 ILE C . . . . . . 547 . 18863 6 >> 33 2 . 1 . . 179.727 . 1 1 1 52 LYS C . . . . . . 548 . 18863 6 >> 34 2 . 1 . . 175.912 . 1 1 1 53 GLY C . . . . . . 549 . 18863 6 >> 35 2 . 1 . . 178.381 . 1 1 1 54 ARG C . . . . . . 550 . 18863 6 >> 36 2 . 1 . . 178.286 . 1 1 1 55 LEU C . . . . . . 551 . 18863 6 >> 37 2 . 1 . . 179.489 . 1 1 1 57 PRO C . . . . . . 552 . 18863 6 >> 38 2 . 1 . . 176.415 . 1 1 1 58 GLY C . . . . . . 553 . 18863 6 >> 39 2 . 1 . . 180.038 . 1 1 1 59 ALA C . . . . . . 554 . 18863 6 >> 40 2 . 1 . . 180.178 . 1 1 1 60 ALA C . . . . . . 555 . 18863 6 >> 41 2 . 1 . . 178.829 . 1 1 1 61 TYR C . . . . . . 556 . 18863 6 >> 42 2 . 1 . . 179.646 . 1 1 1 62 ALA C . . . . . . 557 . 18863 6 >> 43 2 . 1 . . 177.655 . 1 1 1 63 PHE C . . . . . . 558 . 18863 6 >> 44 2 . 1 . . 177.901 . 1 1 1 64 TYR C . . . . . . 559 . 18863 6 >> 45 2 . 1 . . 177.991 . 1 1 1 66 VAL C . . . . . . 560 . 18863 6 >> 46 2 . 1 . . 179.415 . 1 1 1 68 PRO C . . . . . . 561 . 18863 6 >> 47 2 . 1 . . 179.671 . 1 1 1 69 LEU C . . . . . . 562 . 18863 6 >> 48 2 . 1 . . 175.412 . 1 1 1 65 GLY C . . . . . . 563 . 18863 6 >> 49 2 . 1 . . 180.043 . 1 1 1 73 LEU C . . . . . . 564 . 18863 6 >> 50 2 . 1 . . 178.754 . 1 1 1 74 LEU C . . . . . . 565 . 18863 6 >> 51 2 . 1 . . 178.868 . 1 1 1 75 ALA C . . . . . . 566 . 18863 6 >> 52 2 . 1 . . 179.039 . 1 1 1 78 PRO C . . . . . . 567 . 18863 6 >> 53 2 . 1 . . 178.213 . 1 1 1 79 ARG C . . . . . . 568 . 18863 6 >> 54 2 . 1 . . 179.703 . 1 1 1 80 ALA C . . . . . . 569 . 18863 6 >> 55 2 . 1 . . 177.824 . 1 1 1 81 TYR C . . . . . . 570 . 18863 6 >> 56 2 . 1 . . 179.637 . 1 1 1 82 ALA C . . . . . . 571 . 18863 6 >> 57 2 . 1 . . 179.256 . 1 1 1 83 ALA C . . . . . . 572 . 18863 6 >> 58 2 . 1 . . 178.081 . 1 1 1 84 ALA C . . . . . . 573 . 18863 6 >> 59 2 . 1 . . 177.735 . 1 1 1 85 ALA C . . . . . . 574 . 18863 6 >> 60 2 . 1 . . 176.672 . 1 1 1 2 PRO C . . . . . . 575 . 18863 6 >> 61 2 . 1 . . 177.985 . 1 1 1 3 LEU C . . . . . . 576 . 18863 6 >> 62 2 . 1 . . 174.678 . 1 1 1 4 GLY C . . . . . . 577 . 18863 6 >> 63 2 . 1 . . 178.976 . 1 1 1 6 PRO C . . . . . . 578 . 18863 6 >> 64 2 . 1 . . 178.920 . 1 1 1 8 PHE C . . . . . . 579 . 18863 6 >> 65 2 . 1 . . 177.449 . 1 1 1 11 MET C . . . . . . 580 . 18863 6 >> 66 2 . 1 . . 181.157 . 1 1 1 10 ALA C . . . . . . 581 . 18863 6 >> 67 2 . 1 . . 180.319 . 1 1 1 9 ALA C . . . . . . 582 . 18863 6 >> 68 2 . 1 . . 179.639 . 1 1 1 17 ASP C . . . . . . 583 . 18863 6 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2_3_4_5_6_7 _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 $methanol_CN _Sample_conditions_label $methanol_25c _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 18863 >> _Spectral_peak_list.ID 7 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $methanol_CN >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $methanol_25c >> _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 . 5257.43 . . . 18863 7 >> 2 C 13 13C . 16000.00 . . . 18863 7 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 18863 7 >> 2 1.0 . 18863 7 >> 3 1.0 . 18863 7 >> 4 1.0 . 18863 7 >> 5 1.0 . 18863 7 >> 6 1.0 . 18863 7 >> 7 1.0 . 18863 7 >> 8 1.0 . 18863 7 >> 9 1.0 . 18863 7 >> 10 1.0 . 18863 7 >> 11 1.0 . 18863 7 >> 12 1.0 . 18863 7 >> 13 1.0 . 18863 7 >> 14 1.0 . 18863 7 >> 15 1.0 . 18863 7 >> 16 1.0 . 18863 7 >> 17 1.0 . 18863 7 >> 18 1.0 . 18863 7 >> 19 1.0 . 18863 7 >> 20 1.0 . 18863 7 >> 21 1.0 . 18863 7 >> 22 1.0 . 18863 7 >> 23 1.0 . 18863 7 >> 24 1.0 . 18863 7 >> 25 1.0 . 18863 7 >> 26 1.0 . 18863 7 >> 27 1.0 . 18863 7 >> 28 1.0 . 18863 7 >> 29 1.0 . 18863 7 >> 30 1.0 . 18863 7 >> 31 1.0 . 18863 7 >> 32 1.0 . 18863 7 >> 33 1.0 . 18863 7 >> 34 1.0 . 18863 7 >> 35 1.0 . 18863 7 >> 36 1.0 . 18863 7 >> 37 1.0 . 18863 7 >> 38 1.0 . 18863 7 >> 39 1.0 . 18863 7 >> 40 1.0 . 18863 7 >> 41 1.0 . 18863 7 >> 42 1.0 . 18863 7 >> 43 1.0 . 18863 7 >> 44 1.0 . 18863 7 >> 45 1.0 . 18863 7 >> 46 1.0 . 18863 7 >> 47 1.0 . 18863 7 >> 48 1.0 . 18863 7 >> 49 1.0 . 18863 7 >> 50 1.0 . 18863 7 >> 51 1.0 . 18863 7 >> 52 1.0 . 18863 7 >> 53 1.0 . 18863 7 >> 54 1.0 . 18863 7 >> 55 1.0 . 18863 7 >> 56 1.0 . 18863 7 >> 57 1.0 . 18863 7 >> 58 1.0 . 18863 7 >> 59 1.0 . 18863 7 >> 60 1.0 . 18863 7 >> 61 1.0 . 18863 7 >> 62 1.0 . 18863 7 >> 63 1.0 . 18863 7 >> 64 1.0 . 18863 7 >> 65 1.0 . 18863 7 >> 66 1.0 . 18863 7 >> 67 1.0 . 18863 7 >> 68 1.0 . 18863 7 >> 69 1.0 . 18863 7 >> 70 1.0 . 18863 7 >> 71 1.0 . 18863 7 >> 72 1.0 . 18863 7 >> 73 1.0 . 18863 7 >> 74 1.0 . 18863 7 >> 75 1.0 . 18863 7 >> 76 1.0 . 18863 7 >> 77 1.0 . 18863 7 >> 78 1.0 . 18863 7 >> 79 1.0 . 18863 7 >> 80 1.0 . 18863 7 >> 81 1.0 . 18863 7 >> 82 1.0 . 18863 7 >> 83 1.0 . 18863 7 >> 84 1.0 . 18863 7 >> 85 1.0 . 18863 7 >> 86 1.0 . 18863 7 >> 87 1.0 . 18863 7 >> 88 1.0 . 18863 7 >> 89 1.0 . 18863 7 >> 90 1.0 . 18863 7 >> 91 1.0 . 18863 7 >> 92 1.0 . 18863 7 >> 93 1.0 . 18863 7 >> 94 1.0 . 18863 7 >> 95 1.0 . 18863 7 >> 96 1.0 . 18863 7 >> 97 1.0 . 18863 7 >> 98 1.0 . 18863 7 >> 99 1.0 . 18863 7 >> 100 1.0 . 18863 7 >> 101 1.0 . 18863 7 >> 102 1.0 . 18863 7 >> 103 1.0 . 18863 7 >> 104 1.0 . 18863 7 >> 105 1.0 . 18863 7 >> 106 1.0 . 18863 7 >> 107 1.0 . 18863 7 >> 108 1.0 . 18863 7 >> 109 1.0 . 18863 7 >> 110 1.0 . 18863 7 >> 111 1.0 . 18863 7 >> 112 1.0 . 18863 7 >> 113 1.0 . 18863 7 >> 114 1.0 . 18863 7 >> 115 1.0 . 18863 7 >> 116 1.0 . 18863 7 >> 117 1.0 . 18863 7 >> 118 1.0 . 18863 7 >> 119 1.0 . 18863 7 >> 120 1.0 . 18863 7 >> 121 1.0 . 18863 7 >> 122 1.0 . 18863 7 >> 123 1.0 . 18863 7 >> 124 1.0 . 18863 7 >> 125 1.0 . 18863 7 >> 126 1.0 . 18863 7 >> 127 1.0 . 18863 7 >> 128 1.0 . 18863 7 >> 129 1.0 . 18863 7 >> 130 1.0 . 18863 7 >> 131 1.0 . 18863 7 >> 132 1.0 . 18863 7 >> 133 1.0 . 18863 7 >> 134 1.0 . 18863 7 >> 135 1.0 . 18863 7 >> 136 1.0 . 18863 7 >> 137 1.0 . 18863 7 >> 138 1.0 . 18863 7 >> 139 1.0 . 18863 7 >> 140 1.0 . 18863 7 >> 141 1.0 . 18863 7 >> 142 1.0 . 18863 7 >> 143 1.0 . 18863 7 >> 144 1.0 . 18863 7 >> 145 1.0 . 18863 7 >> 146 1.0 . 18863 7 >> 147 1.0 . 18863 7 >> 148 1.0 . 18863 7 >> 149 1.0 . 18863 7 >> 150 1.0 . 18863 7 >> 151 1.0 . 18863 7 >> 152 1.0 . 18863 7 >> 153 1.0 . 18863 7 >> 154 1.0 . 18863 7 >> 155 1.0 . 18863 7 >> 156 1.0 . 18863 7 >> 157 1.0 . 18863 7 >> 158 1.0 . 18863 7 >> 159 1.0 . 18863 7 >> 160 1.0 . 18863 7 >> 161 1.0 . 18863 7 >> 162 1.0 . 18863 7 >> 163 1.0 . 18863 7 >> 164 1.0 . 18863 7 >> 165 1.0 . 18863 7 >> 166 1.0 . 18863 7 >> 167 1.0 . 18863 7 >> 168 1.0 . 18863 7 >> 169 1.0 . 18863 7 >> 170 1.0 . 18863 7 >> 171 1.0 . 18863 7 >> 172 1.0 . 18863 7 >> 173 1.0 . 18863 7 >> 174 1.0 . 18863 7 >> 175 1.0 . 18863 7 >> 176 1.0 . 18863 7 >> 177 1.0 . 18863 7 >> 178 1.0 . 18863 7 >> 179 1.0 . 18863 7 >> 180 1.0 . 18863 7 >> 181 1.0 . 18863 7 >> 182 1.0 . 18863 7 >> 183 1.0 . 18863 7 >> 184 1.0 . 18863 7 >> 185 1.0 . 18863 7 >> 186 1.0 . 18863 7 >> 187 1.0 . 18863 7 >> 188 1.0 . 18863 7 >> 189 1.0 . 18863 7 >> 190 1.0 . 18863 7 >> 191 1.0 . 18863 7 >> 192 1.0 . 18863 7 >> 193 1.0 . 18863 7 >> 194 1.0 . 18863 7 >> 195 1.0 . 18863 7 >> 196 1.0 . 18863 7 >> 197 1.0 . 18863 7 >> 198 1.0 . 18863 7 >> 199 1.0 . 18863 7 >> 200 1.0 . 18863 7 >> 201 1.0 . 18863 7 >> 202 1.0 . 18863 7 >> 203 1.0 . 18863 7 >> 204 1.0 . 18863 7 >> 205 1.0 . 18863 7 >> 206 1.0 . 18863 7 >> 207 1.0 . 18863 7 >> 208 1.0 . 18863 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 646361.0000000 . height 18863 7 >> 1 4742565.6562500 . volume 18863 7 >> 2 703703.0625000 . height 18863 7 >> 2 5559144.6562500 . volume 18863 7 >> 3 845722.5625000 . height 18863 7 >> 3 6935854.0000000 . volume 18863 7 >> 4 717760.6875000 . height 18863 7 >> 4 6129982.5625000 . volume 18863 7 >> 5 887577.1875000 . height 18863 7 >> 5 7682424.9375000 . volume 18863 7 >> 6 5289201.0000000 . height 18863 7 >> 6 35859280.0000000 . volume 18863 7 >> 7 6320594.0000000 . height 18863 7 >> 7 45337090.2500000 . volume 18863 7 >> 8 623348.9375000 . height 18863 7 >> 8 5086047.2500000 . volume 18863 7 >> 9 628300.8125000 . height 18863 7 >> 9 5234330.1875000 . volume 18863 7 >> 10 198057.0937500 . height 18863 7 >> 10 1447198.1953100 . volume 18863 7 >> 11 353298.9062500 . height 18863 7 >> 11 2566962.3593800 . volume 18863 7 >> 12 409195.8125000 . height 18863 7 >> 12 3055716.3750000 . volume 18863 7 >> 13 3094543.7500000 . height 18863 7 >> 13 21967637.0000000 . volume 18863 7 >> 14 2250426.0000000 . height 18863 7 >> 14 18046901.6250000 . volume 18863 7 >> 15 234886.9218750 . height 18863 7 >> 15 1809951.5312500 . volume 18863 7 >> 16 390007.7812500 . height 18863 7 >> 16 3216180.3906200 . volume 18863 7 >> 17 419027.9375000 . height 18863 7 >> 17 3310202.5312500 . volume 18863 7 >> 18 2495175.2500000 . height 18863 7 >> 18 18848088.0000000 . volume 18863 7 >> 19 214979.0156250 . height 18863 7 >> 19 1659147.1562500 . volume 18863 7 >> 20 276722.4375000 . height 18863 7 >> 20 2022393.4531200 . volume 18863 7 >> 21 888303.8125000 . height 18863 7 >> 21 6562055.0000000 . volume 18863 7 >> 22 394126.8750000 . height 18863 7 >> 22 2807899.8750000 . volume 18863 7 >> 23 307171.9062500 . height 18863 7 >> 23 2233285.6406200 . volume 18863 7 >> 24 187116.7187500 . height 18863 7 >> 24 1696016.1093800 . volume 18863 7 >> 25 195866.5937500 . height 18863 7 >> 25 1690895.0156200 . volume 18863 7 >> 26 755141.5625000 . height 18863 7 >> 26 5999923.8125000 . volume 18863 7 >> 27 406786.6875000 . height 18863 7 >> 27 2922086.6406200 . volume 18863 7 >> 28 241385.4687500 . height 18863 7 >> 28 1766602.0937500 . volume 18863 7 >> 29 178459.0156250 . height 18863 7 >> 29 1405004.1093800 . volume 18863 7 >> 30 158533.5312500 . height 18863 7 >> 30 1023755.3320300 . volume 18863 7 >> 31 505649.4375000 . height 18863 7 >> 31 4106600.5937500 . volume 18863 7 >> 32 786425.7500000 . height 18863 7 >> 32 6411565.1875000 . volume 18863 7 >> 33 271496.9375000 . height 18863 7 >> 33 2074945.4531200 . volume 18863 7 >> 34 149432.4218750 . height 18863 7 >> 34 1322316.6640600 . volume 18863 7 >> 35 447418.7187500 . height 18863 7 >> 35 3660768.6875000 . volume 18863 7 >> 36 1151094.2500000 . height 18863 7 >> 36 8200795.4375000 . volume 18863 7 >> 37 902669.7500000 . height 18863 7 >> 37 6793663.5625000 . volume 18863 7 >> 38 335869.7812500 . height 18863 7 >> 38 2708322.3281200 . volume 18863 7 >> 39 263981.1250000 . height 18863 7 >> 39 1803189.6796900 . volume 18863 7 >> 40 330026.5937500 . height 18863 7 >> 40 2344883.8750000 . volume 18863 7 >> 41 122810.0937500 . height 18863 7 >> 41 995916.7578120 . volume 18863 7 >> 42 149946.5937500 . height 18863 7 >> 42 936373.7890620 . volume 18863 7 >> 43 991792.4375000 . height 18863 7 >> 43 6707749.8437500 . volume 18863 7 >> 44 398183.0625000 . height 18863 7 >> 44 3387748.7500000 . volume 18863 7 >> 45 237243.6093750 . height 18863 7 >> 45 1765283.2031200 . volume 18863 7 >> 46 453862.6875000 . height 18863 7 >> 46 3295880.6562500 . volume 18863 7 >> 47 165525.8437500 . height 18863 7 >> 47 1187738.7343800 . volume 18863 7 >> 48 781036.3750000 . height 18863 7 >> 48 5729675.0625000 . volume 18863 7 >> 49 316584.8125000 . height 18863 7 >> 49 2568194.1250000 . volume 18863 7 >> 50 445568.4375000 . height 18863 7 >> 50 3612029.7812500 . volume 18863 7 >> 51 2251079.5000000 . height 18863 7 >> 51 18124873.7500000 . volume 18863 7 >> 52 338794.0000000 . height 18863 7 >> 52 2405412.1250000 . volume 18863 7 >> 53 455457.6875000 . height 18863 7 >> 53 3499612.2812500 . volume 18863 7 >> 54 294969.6875000 . height 18863 7 >> 54 1911386.4531200 . volume 18863 7 >> 55 324883.9375000 . height 18863 7 >> 55 2363137.6093800 . volume 18863 7 >> 56 300587.4062500 . height 18863 7 >> 56 2115133.0312500 . volume 18863 7 >> 57 212843.7968750 . height 18863 7 >> 57 1548735.0937500 . volume 18863 7 >> 58 125978.9375000 . height 18863 7 >> 58 1155675.6015600 . volume 18863 7 >> 59 118845.0234380 . height 18863 7 >> 59 1630642.1015600 . volume 18863 7 >> 60 294113.8125000 . height 18863 7 >> 60 2144858.6875000 . volume 18863 7 >> 61 486863.4062500 . height 18863 7 >> 61 3512927.0000000 . volume 18863 7 >> 62 317106.0312500 . height 18863 7 >> 62 2447929.4687500 . volume 18863 7 >> 63 237303.6093750 . height 18863 7 >> 63 1868587.4375000 . volume 18863 7 >> 64 543808.8750000 . height 18863 7 >> 64 4024260.0312500 . volume 18863 7 >> 65 354142.6562500 . height 18863 7 >> 65 2545868.4218800 . volume 18863 7 >> 66 1167403.8750000 . height 18863 7 >> 66 8262809.2187500 . volume 18863 7 >> 67 229076.0156250 . height 18863 7 >> 67 1975511.7656200 . volume 18863 7 >> 68 369631.2187500 . height 18863 7 >> 68 3311527.1406200 . volume 18863 7 >> 69 2533698.7500000 . height 18863 7 >> 69 22891547.5000000 . volume 18863 7 >> 70 1598317.3750000 . height 18863 7 >> 70 15394472.0000000 . volume 18863 7 >> 71 1811889.7500000 . height 18863 7 >> 71 15797877.1250000 . volume 18863 7 >> 72 2127090.0000000 . height 18863 7 >> 72 19151860.6250000 . volume 18863 7 >> 73 244905.7812500 . height 18863 7 >> 73 2120883.8281200 . volume 18863 7 >> 74 3526079.2500000 . height 18863 7 >> 74 29642326.7500000 . volume 18863 7 >> 75 139173.0000000 . height 18863 7 >> 75 1125756.8203100 . volume 18863 7 >> 76 182340.0156250 . height 18863 7 >> 76 1364905.9843800 . volume 18863 7 >> 77 241070.9218750 . height 18863 7 >> 77 1965190.0312500 . volume 18863 7 >> 78 1947381.1250000 . height 18863 7 >> 78 13575838.5000000 . volume 18863 7 >> 79 845085.1875000 . height 18863 7 >> 79 6979042.3750000 . volume 18863 7 >> 80 883940.6250000 . height 18863 7 >> 80 7509104.5000000 . volume 18863 7 >> 81 4008930.7500000 . height 18863 7 >> 81 29226504.5000000 . volume 18863 7 >> 82 4277764.0000000 . height 18863 7 >> 82 36921970.2500000 . volume 18863 7 >> 83 398112.2500000 . height 18863 7 >> 83 4094047.5000000 . volume 18863 7 >> 84 3674817.5000000 . height 18863 7 >> 84 30228791.2500000 . volume 18863 7 >> 85 242712.9531250 . height 18863 7 >> 85 1950624.6406200 . volume 18863 7 >> 86 2191428.7500000 . height 18863 7 >> 86 16162262.5000000 . volume 18863 7 >> 87 71963.2890625 . height 18863 7 >> 87 507892.7421880 . volume 18863 7 >> 88 90376.4062500 . height 18863 7 >> 88 588687.8398440 . volume 18863 7 >> 89 557226.4375000 . height 18863 7 >> 89 4869669.8125000 . volume 18863 7 >> 90 227372.1406250 . height 18863 7 >> 90 1830011.7656200 . volume 18863 7 >> 91 112258.9140620 . height 18863 7 >> 91 783086.0898440 . volume 18863 7 >> 92 132783.7812500 . height 18863 7 >> 92 1017274.6953100 . volume 18863 7 >> 93 195183.0625000 . height 18863 7 >> 93 1706662.9531200 . volume 18863 7 >> 94 227230.8906250 . height 18863 7 >> 94 1980615.8125000 . volume 18863 7 >> 95 1980121.8750000 . height 18863 7 >> 95 16391883.8750000 . volume 18863 7 >> 96 500477.3125000 . height 18863 7 >> 96 4282695.3750000 . volume 18863 7 >> 97 1499781.8750000 . height 18863 7 >> 97 11304772.5000000 . volume 18863 7 >> 98 441110.7812500 . height 18863 7 >> 98 3466758.3750000 . volume 18863 7 >> 99 221600.4375000 . height 18863 7 >> 99 1737573.9843800 . volume 18863 7 >> 100 385568.6562500 . height 18863 7 >> 100 3087001.4062500 . volume 18863 7 >> 101 1406482.6250000 . height 18863 7 >> 101 13393725.3750000 . volume 18863 7 >> 102 1477973.3750000 . height 18863 7 >> 102 12773553.5000000 . volume 18863 7 >> 103 341705.7187500 . height 18863 7 >> 103 2716733.5000000 . volume 18863 7 >> 104 342919.0000000 . height 18863 7 >> 104 2358669.3281200 . volume 18863 7 >> 105 821436.1250000 . height 18863 7 >> 105 8746531.5000000 . volume 18863 7 >> 106 1279506.8750000 . height 18863 7 >> 106 8419618.5000000 . volume 18863 7 >> 107 280257.6562500 . height 18863 7 >> 107 2061933.9843800 . volume 18863 7 >> 108 315479.4687500 . height 18863 7 >> 108 2006667.3437500 . volume 18863 7 >> 109 162950.1250000 . height 18863 7 >> 109 1276554.9375000 . volume 18863 7 >> 110 267574.3750000 . height 18863 7 >> 110 2572712.5156200 . volume 18863 7 >> 111 224171.3750000 . height 18863 7 >> 111 3226508.6718800 . volume 18863 7 >> 112 299659.9687500 . height 18863 7 >> 112 2476977.4375000 . volume 18863 7 >> 113 134119.5625000 . height 18863 7 >> 113 1120938.7265600 . volume 18863 7 >> 114 148684.9531250 . height 18863 7 >> 114 1715245.7578100 . volume 18863 7 >> 115 152465.0781250 . height 18863 7 >> 115 1479334.4687500 . volume 18863 7 >> 116 449285.7500000 . height 18863 7 >> 116 3873252.7812500 . volume 18863 7 >> 117 520076.1562500 . height 18863 7 >> 117 4699826.3750000 . volume 18863 7 >> 118 145578.4843750 . height 18863 7 >> 118 818735.6210940 . volume 18863 7 >> 119 264257.5937500 . height 18863 7 >> 119 2210408.9687500 . volume 18863 7 >> 120 399630.0625000 . height 18863 7 >> 120 3215570.1250000 . volume 18863 7 >> 121 395240.0000000 . height 18863 7 >> 121 3013132.6875000 . volume 18863 7 >> 122 107733.0468750 . height 18863 7 >> 122 743072.4765620 . volume 18863 7 >> 123 3388536.5000000 . height 18863 7 >> 123 21841438.5000000 . volume 18863 7 >> 124 444492.6250000 . height 18863 7 >> 124 3714251.4687500 . volume 18863 7 >> 125 161965.9375000 . height 18863 7 >> 125 1356849.2968800 . volume 18863 7 >> 126 210504.0156250 . height 18863 7 >> 126 1750526.8046900 . volume 18863 7 >> 127 2102333.2500000 . height 18863 7 >> 127 17529766.5000000 . volume 18863 7 >> 128 523670.1562500 . height 18863 7 >> 128 4001251.7500000 . volume 18863 7 >> 129 529824.1250000 . height 18863 7 >> 129 4348915.7812500 . volume 18863 7 >> 130 828115.3125000 . height 18863 7 >> 130 6925003.6875000 . volume 18863 7 >> 131 3280693.0000000 . height 18863 7 >> 131 25125298.6250000 . volume 18863 7 >> 132 4343848.0000000 . height 18863 7 >> 132 39751459.0000000 . volume 18863 7 >> 133 597457.5625000 . height 18863 7 >> 133 5394133.8437500 . volume 18863 7 >> 134 676455.7500000 . height 18863 7 >> 134 5874632.4375000 . volume 18863 7 >> 135 623192.4375000 . height 18863 7 >> 135 5749403.6875000 . volume 18863 7 >> 136 903654.0625000 . height 18863 7 >> 136 7232914.0625000 . volume 18863 7 >> 137 2432089.2500000 . height 18863 7 >> 137 23987119.1250000 . volume 18863 7 >> 138 4486665.5000000 . height 18863 7 >> 138 39040438.2500000 . volume 18863 7 >> 139 280827.5937500 . height 18863 7 >> 139 2100993.5625000 . volume 18863 7 >> 140 361078.9062500 . height 18863 7 >> 140 2775623.6093800 . volume 18863 7 >> 141 267138.5000000 . height 18863 7 >> 141 1831694.5234400 . volume 18863 7 >> 142 239032.4531250 . height 18863 7 >> 142 1891886.2187500 . volume 18863 7 >> 143 337271.6875000 . height 18863 7 >> 143 2465142.6562500 . volume 18863 7 >> 144 416295.8125000 . height 18863 7 >> 144 3864513.3437500 . volume 18863 7 >> 145 346224.5937500 . height 18863 7 >> 145 2633008.6875000 . volume 18863 7 >> 146 333729.4062500 . height 18863 7 >> 146 3160825.5937500 . volume 18863 7 >> 147 575374.6250000 . height 18863 7 >> 147 5061407.8125000 . volume 18863 7 >> 148 363515.1250000 . height 18863 7 >> 148 3147055.0625000 . volume 18863 7 >> 149 428694.8750000 . height 18863 7 >> 149 3359201.4062500 . volume 18863 7 >> 150 563290.4375000 . height 18863 7 >> 150 4482778.2812500 . volume 18863 7 >> 151 742721.4375000 . height 18863 7 >> 151 6732762.3125000 . volume 18863 7 >> 152 991349.8125000 . height 18863 7 >> 152 8428854.9375000 . volume 18863 7 >> 153 521089.3750000 . height 18863 7 >> 153 4211106.8750000 . volume 18863 7 >> 154 511081.9687500 . height 18863 7 >> 154 4137879.1562500 . volume 18863 7 >> 155 767112.9375000 . height 18863 7 >> 155 5949130.0000000 . volume 18863 7 >> 156 3313207.5000000 . height 18863 7 >> 156 25211419.0000000 . volume 18863 7 >> 157 1743237.1250000 . height 18863 7 >> 157 18536090.2500000 . volume 18863 7 >> 158 572319.6250000 . height 18863 7 >> 158 4149365.5000000 . volume 18863 7 >> 159 302719.6250000 . height 18863 7 >> 159 2505641.4375000 . volume 18863 7 >> 160 315267.0625000 . height 18863 7 >> 160 2652773.4687500 . volume 18863 7 >> 161 661624.5625000 . height 18863 7 >> 161 5955654.8437500 . volume 18863 7 >> 162 877346.5625000 . height 18863 7 >> 162 7115804.2500000 . volume 18863 7 >> 163 653355.8750000 . height 18863 7 >> 163 5033772.4687500 . volume 18863 7 >> 164 608969.5625000 . height 18863 7 >> 164 4817106.5000000 . volume 18863 7 >> 165 663071.6250000 . height 18863 7 >> 165 5763064.9062500 . volume 18863 7 >> 166 414698.2500000 . height 18863 7 >> 166 3173269.3437500 . volume 18863 7 >> 167 356891.4062500 . height 18863 7 >> 167 3008699.2187500 . volume 18863 7 >> 168 421817.4687500 . height 18863 7 >> 168 3421682.9062500 . volume 18863 7 >> 169 341688.5312500 . height 18863 7 >> 169 2557927.6718800 . volume 18863 7 >> 170 1616401.5000000 . height 18863 7 >> 170 12910039.3125000 . volume 18863 7 >> 171 1725301.1250000 . height 18863 7 >> 171 14262239.6250000 . volume 18863 7 >> 172 350545.1250000 . height 18863 7 >> 172 2561149.3007800 . volume 18863 7 >> 173 554734.2500000 . height 18863 7 >> 173 4191348.3437500 . volume 18863 7 >> 174 203335.7031250 . height 18863 7 >> 174 1698402.1093800 . volume 18863 7 >> 175 743765.5000000 . height 18863 7 >> 175 6702021.1250000 . volume 18863 7 >> 176 556509.4375000 . height 18863 7 >> 176 5405685.0625000 . volume 18863 7 >> 177 606191.9375000 . height 18863 7 >> 177 5281211.2812500 . volume 18863 7 >> 178 2933569.5000000 . height 18863 7 >> 178 30636912.7500000 . volume 18863 7 >> 179 1952793.6250000 . height 18863 7 >> 179 20453869.2500000 . volume 18863 7 >> 180 440566.9687500 . height 18863 7 >> 180 3917301.9375000 . volume 18863 7 >> 181 386920.1562500 . height 18863 7 >> 181 3181296.5156200 . volume 18863 7 >> 182 346600.7812500 . height 18863 7 >> 182 3116008.6718800 . volume 18863 7 >> 183 508779.2500000 . height 18863 7 >> 183 4519213.5312500 . volume 18863 7 >> 184 602845.0625000 . height 18863 7 >> 184 5133090.5937500 . volume 18863 7 >> 185 292725.8750000 . height 18863 7 >> 185 2384946.5625000 . volume 18863 7 >> 186 748078.1250000 . height 18863 7 >> 186 6380080.9687500 . volume 18863 7 >> 187 749589.2500000 . height 18863 7 >> 187 6716298.1875000 . volume 18863 7 >> 188 410737.5000000 . height 18863 7 >> 188 3215810.8750000 . volume 18863 7 >> 189 434266.4687500 . height 18863 7 >> 189 3962416.0625000 . volume 18863 7 >> 190 364370.2500000 . height 18863 7 >> 190 3453048.0937500 . volume 18863 7 >> 191 260005.5625000 . height 18863 7 >> 191 1745982.5000000 . volume 18863 7 >> 192 377550.0312500 . height 18863 7 >> 192 3450064.0937500 . volume 18863 7 >> 193 424110.3125000 . height 18863 7 >> 193 3489935.9062500 . volume 18863 7 >> 194 753012.3125000 . height 18863 7 >> 194 5811765.4062500 . volume 18863 7 >> 195 2916965.0000000 . height 18863 7 >> 195 21665360.1250000 . volume 18863 7 >> 196 2687318.0000000 . height 18863 7 >> 196 21190251.7500000 . volume 18863 7 >> 197 418856.4687500 . height 18863 7 >> 197 3573735.5468800 . volume 18863 7 >> 198 1077023.5000000 . height 18863 7 >> 198 7213136.5000000 . volume 18863 7 >> 199 1094992.7500000 . height 18863 7 >> 199 7723293.4375000 . volume 18863 7 >> 200 237798.2031250 . height 18863 7 >> 200 2175747.0937500 . volume 18863 7 >> 201 467119.6250000 . height 18863 7 >> 201 4018364.0000000 . volume 18863 7 >> 202 527977.5000000 . height 18863 7 >> 202 4345145.7500000 . volume 18863 7 >> 203 323452.6562500 . height 18863 7 >> 203 3157510.6718800 . volume 18863 7 >> 204 340867.0937500 . height 18863 7 >> 204 2935463.8906200 . volume 18863 7 >> 205 605195.6250000 . height 18863 7 >> 205 4763906.3750000 . volume 18863 7 >> 206 736731.3750000 . height 18863 7 >> 206 5961938.3750000 . volume 18863 7 >> 207 312560.9375000 . height 18863 7 >> 207 2589964.6875000 . volume 18863 7 >> 208 511703.4687500 . height 18863 7 >> 208 3689102.1250000 . volume 18863 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 4.007 . . . . . . . . . . . . 8 18863 7 >> 1 2 57.029 . . . . . . . . . . . . 8 18863 7 >> 2 1 4.009 . . . . . . . . . . . . 8 18863 7 >> 2 2 59.829 . . . . . . . . . . . . 8 18863 7 >> 3 1 1.691 . . . . . . . . . . . . 8 18863 7 >> 3 2 43.422 . . . . . . . . . . . . 8 18863 7 >> 4 1 1.654 . . . . . . . . . . . . 8 18863 7 >> 4 2 43.422 . . . . . . . . . . . . 8 18863 7 >> 5 1 1.717 . . . . . . . . . . . . 8 18863 7 >> 5 2 28.650 . . . . . . . . . . . . 8 18863 7 >> 6 1 0.876 . . . . . . . . . . . . 8 18863 7 >> 6 2 25.726 . . . . . . . . . . . . 8 18863 7 >> 7 1 0.821 . . . . . . . . . . . . 8 18863 7 >> 7 2 25.228 . . . . . . . . . . . . 8 18863 7 >> 8 1 4.306 . . . . . . . . . . . . 8 18863 7 >> 8 2 57.834 . . . . . . . . . . . . 8 18863 7 >> 9 1 3.037 . . . . . . . . . . . . 8 18863 7 >> 9 2 39.537 . . . . . . . . . . . . 8 18863 7 >> 10 1 2.576 . . . . . . . . . . . . 8 18863 7 >> 10 2 39.513 . . . . . . . . . . . . 8 18863 7 >> 11 1 3.603 . . . . . . . . . . . . 8 18863 7 >> 11 2 68.718 . . . . . . . . . . . . 8 18863 7 >> 12 1 2.297 . . . . . . . . . . . . 8 18863 7 >> 12 2 33.377 . . . . . . . . . . . . 8 18863 7 >> 13 1 1.044 . . . . . . . . . . . . 8 18863 7 >> 13 2 24.319 . . . . . . . . . . . . 8 18863 7 >> 14 1 0.895 . . . . . . . . . . . . 8 18863 7 >> 14 2 22.614 . . . . . . . . . . . . 8 18863 7 >> 15 1 4.397 . . . . . . . . . . . . 8 18863 7 >> 15 2 58.565 . . . . . . . . . . . . 8 18863 7 >> 16 1 2.901 . . . . . . . . . . . . 8 18863 7 >> 16 2 40.303 . . . . . . . . . . . . 8 18863 7 >> 17 1 4.007 . . . . . . . . . . . . 8 18863 7 >> 17 2 57.337 . . . . . . . . . . . . 8 18863 7 >> 18 1 1.397 . . . . . . . . . . . . 8 18863 7 >> 18 2 19.354 . . . . . . . . . . . . 8 18863 7 >> 19 1 4.144 . . . . . . . . . . . . 8 18863 7 >> 19 2 63.710 . . . . . . . . . . . . 8 18863 7 >> 20 1 4.081 . . . . . . . . . . . . 8 18863 7 >> 20 2 64.743 . . . . . . . . . . . . 8 18863 7 >> 21 1 2.141 . . . . . . . . . . . . 8 18863 7 >> 21 2 33.637 . . . . . . . . . . . . 8 18863 7 >> 22 1 3.595 . . . . . . . . . . . . 8 18863 7 >> 22 2 68.318 . . . . . . . . . . . . 8 18863 7 >> 23 1 4.095 . . . . . . . . . . . . 8 18863 7 >> 23 2 57.234 . . . . . . . . . . . . 8 18863 7 >> 24 1 3.918 . . . . . . . . . . . . 8 18863 7 >> 24 2 56.910 . . . . . . . . . . . . 8 18863 7 >> 25 1 3.777 . . . . . . . . . . . . 8 18863 7 >> 25 2 48.706 . . . . . . . . . . . . 8 18863 7 >> 26 1 4.071 . . . . . . . . . . . . 8 18863 7 >> 26 2 57.051 . . . . . . . . . . . . 8 18863 7 >> 27 1 3.371 . . . . . . . . . . . . 8 18863 7 >> 27 2 29.627 . . . . . . . . . . . . 8 18863 7 >> 28 1 4.244 . . . . . . . . . . . . 8 18863 7 >> 28 2 60.718 . . . . . . . . . . . . 8 18863 7 >> 29 1 1.863 . . . . . . . . . . . . 8 18863 7 >> 29 2 39.489 . . . . . . . . . . . . 8 18863 7 >> 30 1 3.796 . . . . . . . . . . . . 8 18863 7 >> 30 2 66.576 . . . . . . . . . . . . 8 18863 7 >> 31 1 4.063 . . . . . . . . . . . . 8 18863 7 >> 31 2 59.685 . . . . . . . . . . . . 8 18863 7 >> 32 1 1.773 . . . . . . . . . . . . 8 18863 7 >> 32 2 43.363 . . . . . . . . . . . . 8 18863 7 >> 33 1 3.805 . . . . . . . . . . . . 8 18863 7 >> 33 2 65.093 . . . . . . . . . . . . 8 18863 7 >> 34 1 3.789 . . . . . . . . . . . . 8 18863 7 >> 34 2 64.621 . . . . . . . . . . . . 8 18863 7 >> 35 1 1.814 . . . . . . . . . . . . 8 18863 7 >> 35 2 43.800 . . . . . . . . . . . . 8 18863 7 >> 36 1 4.066 . . . . . . . . . . . . 8 18863 7 >> 36 2 69.080 . . . . . . . . . . . . 8 18863 7 >> 37 1 1.903 . . . . . . . . . . . . 8 18863 7 >> 37 2 33.693 . . . . . . . . . . . . 8 18863 7 >> 38 1 1.839 . . . . . . . . . . . . 8 18863 7 >> 38 2 33.456 . . . . . . . . . . . . 8 18863 7 >> 39 1 1.951 . . . . . . . . . . . . 8 18863 7 >> 39 2 39.472 . . . . . . . . . . . . 8 18863 7 >> 40 1 3.892 . . . . . . . . . . . . 8 18863 7 >> 40 2 61.047 . . . . . . . . . . . . 8 18863 7 >> 41 1 3.973 . . . . . . . . . . . . 8 18863 7 >> 41 2 62.501 . . . . . . . . . . . . 8 18863 7 >> 42 1 3.956 . . . . . . . . . . . . 8 18863 7 >> 42 2 63.419 . . . . . . . . . . . . 8 18863 7 >> 43 1 3.464 . . . . . . . . . . . . 8 18863 7 >> 43 2 66.667 . . . . . . . . . . . . 8 18863 7 >> 44 1 3.947 . . . . . . . . . . . . 8 18863 7 >> 44 2 61.093 . . . . . . . . . . . . 8 18863 7 >> 45 1 4.010 . . . . . . . . . . . . 8 18863 7 >> 45 2 58.550 . . . . . . . . . . . . 8 18863 7 >> 46 1 4.239 . . . . . . . . . . . . 8 18863 7 >> 46 2 56.716 . . . . . . . . . . . . 8 18863 7 >> 47 1 4.416 . . . . . . . . . . . . 8 18863 7 >> 47 2 54.440 . . . . . . . . . . . . 8 18863 7 >> 48 1 1.336 . . . . . . . . . . . . 8 18863 7 >> 48 2 18.832 . . . . . . . . . . . . 8 18863 7 >> 49 1 3.800 . . . . . . . . . . . . 8 18863 7 >> 49 2 48.116 . . . . . . . . . . . . 8 18863 7 >> 50 1 4.019 . . . . . . . . . . . . 8 18863 7 >> 50 2 55.532 . . . . . . . . . . . . 8 18863 7 >> 51 1 1.354 . . . . . . . . . . . . 8 18863 7 >> 51 2 19.857 . . . . . . . . . . . . 8 18863 7 >> 52 1 4.083 . . . . . . . . . . . . 8 18863 7 >> 52 2 56.082 . . . . . . . . . . . . 8 18863 7 >> 53 1 4.254 . . . . . . . . . . . . 8 18863 7 >> 53 2 62.285 . . . . . . . . . . . . 8 18863 7 >> 54 1 3.937 . . . . . . . . . . . . 8 18863 7 >> 54 2 56.209 . . . . . . . . . . . . 8 18863 7 >> 55 1 4.190 . . . . . . . . . . . . 8 18863 7 >> 55 2 61.784 . . . . . . . . . . . . 8 18863 7 >> 56 1 4.344 . . . . . . . . . . . . 8 18863 7 >> 56 2 61.385 . . . . . . . . . . . . 8 18863 7 >> 57 1 3.684 . . . . . . . . . . . . 8 18863 7 >> 57 2 47.395 . . . . . . . . . . . . 8 18863 7 >> 58 1 2.062 . . . . . . . . . . . . 8 18863 7 >> 58 2 34.092 . . . . . . . . . . . . 8 18863 7 >> 59 1 3.975 . . . . . . . . . . . . 8 18863 7 >> 59 2 64.970 . . . . . . . . . . . . 8 18863 7 >> 60 1 4.503 . . . . . . . . . . . . 8 18863 7 >> 60 2 62.867 . . . . . . . . . . . . 8 18863 7 >> 61 1 3.224 . . . . . . . . . . . . 8 18863 7 >> 61 2 29.038 . . . . . . . . . . . . 8 18863 7 >> 62 1 3.959 . . . . . . . . . . . . 8 18863 7 >> 62 2 59.172 . . . . . . . . . . . . 8 18863 7 >> 63 1 1.629 . . . . . . . . . . . . 8 18863 7 >> 63 2 32.707 . . . . . . . . . . . . 8 18863 7 >> 64 1 3.905 . . . . . . . . . . . . 8 18863 7 >> 64 2 59.689 . . . . . . . . . . . . 8 18863 7 >> 65 1 4.176 . . . . . . . . . . . . 8 18863 7 >> 65 2 54.385 . . . . . . . . . . . . 8 18863 7 >> 66 1 1.388 . . . . . . . . . . . . 8 18863 7 >> 66 2 20.595 . . . . . . . . . . . . 8 18863 7 >> 67 1 4.160 . . . . . . . . . . . . 8 18863 7 >> 67 2 61.566 . . . . . . . . . . . . 8 18863 7 >> 68 1 3.994 . . . . . . . . . . . . 8 18863 7 >> 68 2 56.966 . . . . . . . . . . . . 8 18863 7 >> 69 1 1.450 . . . . . . . . . . . . 8 18863 7 >> 69 2 19.302 . . . . . . . . . . . . 8 18863 7 >> 70 1 1.029 . . . . . . . . . . . . 8 18863 7 >> 70 2 24.305 . . . . . . . . . . . . 8 18863 7 >> 71 1 0.879 . . . . . . . . . . . . 8 18863 7 >> 71 2 22.725 . . . . . . . . . . . . 8 18863 7 >> 72 1 1.455 . . . . . . . . . . . . 8 18863 7 >> 72 2 19.488 . . . . . . . . . . . . 8 18863 7 >> 73 1 3.808 . . . . . . . . . . . . 8 18863 7 >> 73 2 48.454 . . . . . . . . . . . . 8 18863 7 >> 74 1 1.488 . . . . . . . . . . . . 8 18863 7 >> 74 2 19.276 . . . . . . . . . . . . 8 18863 7 >> 75 1 3.924 . . . . . . . . . . . . 8 18863 7 >> 75 2 48.869 . . . . . . . . . . . . 8 18863 7 >> 76 1 1.740 . . . . . . . . . . . . 8 18863 7 >> 76 2 30.963 . . . . . . . . . . . . 8 18863 7 >> 77 1 1.144 . . . . . . . . . . . . 8 18863 7 >> 77 2 30.847 . . . . . . . . . . . . 8 18863 7 >> 78 1 0.800 . . . . . . . . . . . . 8 18863 7 >> 78 2 14.173 . . . . . . . . . . . . 8 18863 7 >> 79 1 1.708 . . . . . . . . . . . . 8 18863 7 >> 79 2 43.317 . . . . . . . . . . . . 8 18863 7 >> 80 1 1.747 . . . . . . . . . . . . 8 18863 7 >> 80 2 28.687 . . . . . . . . . . . . 8 18863 7 >> 81 1 0.877 . . . . . . . . . . . . 8 18863 7 >> 81 2 25.496 . . . . . . . . . . . . 8 18863 7 >> 82 1 0.829 . . . . . . . . . . . . 8 18863 7 >> 82 2 25.496 . . . . . . . . . . . . 8 18863 7 >> 83 1 4.030 . . . . . . . . . . . . 8 18863 7 >> 83 2 56.934 . . . . . . . . . . . . 8 18863 7 >> 84 1 1.475 . . . . . . . . . . . . 8 18863 7 >> 84 2 19.367 . . . . . . . . . . . . 8 18863 7 >> 85 1 3.945 . . . . . . . . . . . . 8 18863 7 >> 85 2 57.026 . . . . . . . . . . . . 8 18863 7 >> 86 1 1.397 . . . . . . . . . . . . 8 18863 7 >> 86 2 19.132 . . . . . . . . . . . . 8 18863 7 >> 87 1 3.175 . . . . . . . . . . . . 8 18863 7 >> 87 2 30.632 . . . . . . . . . . . . 8 18863 7 >> 88 1 2.884 . . . . . . . . . . . . 8 18863 7 >> 88 2 30.554 . . . . . . . . . . . . 8 18863 7 >> 89 1 3.104 . . . . . . . . . . . . 8 18863 7 >> 89 2 39.845 . . . . . . . . . . . . 8 18863 7 >> 90 1 2.943 . . . . . . . . . . . . 8 18863 7 >> 90 2 38.707 . . . . . . . . . . . . 8 18863 7 >> 91 1 3.471 . . . . . . . . . . . . 8 18863 7 >> 91 2 47.977 . . . . . . . . . . . . 8 18863 7 >> 92 1 3.630 . . . . . . . . . . . . 8 18863 7 >> 92 2 47.959 . . . . . . . . . . . . 8 18863 7 >> 93 1 3.775 . . . . . . . . . . . . 8 18863 7 >> 93 2 48.119 . . . . . . . . . . . . 8 18863 7 >> 94 1 3.788 . . . . . . . . . . . . 8 18863 7 >> 94 2 48.442 . . . . . . . . . . . . 8 18863 7 >> 95 1 1.370 . . . . . . . . . . . . 8 18863 7 >> 95 2 19.895 . . . . . . . . . . . . 8 18863 7 >> 96 1 2.993 . . . . . . . . . . . . 8 18863 7 >> 96 2 39.846 . . . . . . . . . . . . 8 18863 7 >> 97 1 1.294 . . . . . . . . . . . . 8 18863 7 >> 97 2 19.663 . . . . . . . . . . . . 8 18863 7 >> 98 1 2.836 . . . . . . . . . . . . 8 18863 7 >> 98 2 40.995 . . . . . . . . . . . . 8 18863 7 >> 99 1 3.861 . . . . . . . . . . . . 8 18863 7 >> 99 2 47.397 . . . . . . . . . . . . 8 18863 7 >> 100 1 3.996 . . . . . . . . . . . . 8 18863 7 >> 100 2 55.487 . . . . . . . . . . . . 8 18863 7 >> 101 1 1.331 . . . . . . . . . . . . 8 18863 7 >> 101 2 19.979 . . . . . . . . . . . . 8 18863 7 >> 102 1 1.328 . . . . . . . . . . . . 8 18863 7 >> 102 2 20.147 . . . . . . . . . . . . 8 18863 7 >> 103 1 4.050 . . . . . . . . . . . . 8 18863 7 >> 103 2 55.175 . . . . . . . . . . . . 8 18863 7 >> 104 1 4.127 . . . . . . . . . . . . 8 18863 7 >> 104 2 54.524 . . . . . . . . . . . . 8 18863 7 >> 105 1 1.315 . . . . . . . . . . . . 8 18863 7 >> 105 2 20.295 . . . . . . . . . . . . 8 18863 7 >> 106 1 1.231 . . . . . . . . . . . . 8 18863 7 >> 106 2 20.425 . . . . . . . . . . . . 8 18863 7 >> 107 1 4.270 . . . . . . . . . . . . 8 18863 7 >> 107 2 53.324 . . . . . . . . . . . . 8 18863 7 >> 108 1 3.811 . . . . . . . . . . . . 8 18863 7 >> 108 2 59.619 . . . . . . . . . . . . 8 18863 7 >> 109 1 3.782 . . . . . . . . . . . . 8 18863 7 >> 109 2 65.802 . . . . . . . . . . . . 8 18863 7 >> 110 1 4.044 . . . . . . . . . . . . 8 18863 7 >> 110 2 55.571 . . . . . . . . . . . . 8 18863 7 >> 111 1 1.259 . . . . . . . . . . . . 8 18863 7 >> 111 2 20.255 . . . . . . . . . . . . 8 18863 7 >> 112 1 2.882 . . . . . . . . . . . . 8 18863 7 >> 112 2 39.904 . . . . . . . . . . . . 8 18863 7 >> 113 1 2.166 . . . . . . . . . . . . 8 18863 7 >> 113 2 29.526 . . . . . . . . . . . . 8 18863 7 >> 114 1 3.915 . . . . . . . . . . . . 8 18863 7 >> 114 2 60.890 . . . . . . . . . . . . 8 18863 7 >> 115 1 4.119 . . . . . . . . . . . . 8 18863 7 >> 115 2 59.930 . . . . . . . . . . . . 8 18863 7 >> 116 1 4.076 . . . . . . . . . . . . 8 18863 7 >> 116 2 59.940 . . . . . . . . . . . . 8 18863 7 >> 117 1 4.038 . . . . . . . . . . . . 8 18863 7 >> 117 2 60.105 . . . . . . . . . . . . 8 18863 7 >> 118 1 4.398 . . . . . . . . . . . . 8 18863 7 >> 118 2 38.692 . . . . . . . . . . . . 8 18863 7 >> 119 1 1.348 . . . . . . . . . . . . 8 18863 7 >> 119 2 30.975 . . . . . . . . . . . . 8 18863 7 >> 120 1 1.700 . . . . . . . . . . . . 8 18863 7 >> 120 2 30.910 . . . . . . . . . . . . 8 18863 7 >> 121 1 4.000 . . . . . . . . . . . . 8 18863 7 >> 121 2 59.258 . . . . . . . . . . . . 8 18863 7 >> 122 1 2.033 . . . . . . . . . . . . 8 18863 7 >> 122 2 31.093 . . . . . . . . . . . . 8 18863 7 >> 123 1 1.933 . . . . . . . . . . . . 8 18863 7 >> 123 2 31.034 . . . . . . . . . . . . 8 18863 7 >> 124 1 3.985 . . . . . . . . . . . . 8 18863 7 >> 124 2 60.713 . . . . . . . . . . . . 8 18863 7 >> 125 1 2.646 . . . . . . . . . . . . 8 18863 7 >> 125 2 33.904 . . . . . . . . . . . . 8 18863 7 >> 126 1 2.524 . . . . . . . . . . . . 8 18863 7 >> 126 2 33.944 . . . . . . . . . . . . 8 18863 7 >> 127 1 1.411 . . . . . . . . . . . . 8 18863 7 >> 127 2 19.302 . . . . . . . . . . . . 8 18863 7 >> 128 1 1.872 . . . . . . . . . . . . 8 18863 7 >> 128 2 43.582 . . . . . . . . . . . . 8 18863 7 >> 129 1 1.816 . . . . . . . . . . . . 8 18863 7 >> 129 2 43.616 . . . . . . . . . . . . 8 18863 7 >> 130 1 1.705 . . . . . . . . . . . . 8 18863 7 >> 130 2 28.642 . . . . . . . . . . . . 8 18863 7 >> 131 1 0.879 . . . . . . . . . . . . 8 18863 7 >> 131 2 25.335 . . . . . . . . . . . . 8 18863 7 >> 132 1 0.831 . . . . . . . . . . . . 8 18863 7 >> 132 2 25.302 . . . . . . . . . . . . 8 18863 7 >> 133 1 4.028 . . . . . . . . . . . . 8 18863 7 >> 133 2 59.885 . . . . . . . . . . . . 8 18863 7 >> 134 1 1.635 . . . . . . . . . . . . 8 18863 7 >> 134 2 43.438 . . . . . . . . . . . . 8 18863 7 >> 135 1 1.787 . . . . . . . . . . . . 8 18863 7 >> 135 2 43.421 . . . . . . . . . . . . 8 18863 7 >> 136 1 1.617 . . . . . . . . . . . . 8 18863 7 >> 136 2 28.853 . . . . . . . . . . . . 8 18863 7 >> 137 1 0.862 . . . . . . . . . . . . 8 18863 7 >> 137 2 25.318 . . . . . . . . . . . . 8 18863 7 >> 138 1 0.808 . . . . . . . . . . . . 8 18863 7 >> 138 2 25.305 . . . . . . . . . . . . 8 18863 7 >> 139 1 2.624 . . . . . . . . . . . . 8 18863 7 >> 139 2 40.436 . . . . . . . . . . . . 8 18863 7 >> 140 1 3.363 . . . . . . . . . . . . 8 18863 7 >> 140 2 29.626 . . . . . . . . . . . . 8 18863 7 >> 141 1 4.239 . . . . . . . . . . . . 8 18863 7 >> 141 2 63.702 . . . . . . . . . . . . 8 18863 7 >> 142 1 3.265 . . . . . . . . . . . . 8 18863 7 >> 142 2 40.550 . . . . . . . . . . . . 8 18863 7 >> 143 1 3.225 . . . . . . . . . . . . 8 18863 7 >> 143 2 40.587 . . . . . . . . . . . . 8 18863 7 >> 144 1 4.055 . . . . . . . . . . . . 8 18863 7 >> 144 2 60.122 . . . . . . . . . . . . 8 18863 7 >> 146 1 3.111 . . . . . . . . . . . . 8 18863 7 >> 146 2 39.893 . . . . . . . . . . . . 8 18863 7 >> 147 1 3.079 . . . . . . . . . . . . 8 18863 7 >> 147 2 39.857 . . . . . . . . . . . . 8 18863 7 >> 148 1 1.732 . . . . . . . . . . . . 8 18863 7 >> 148 2 30.830 . . . . . . . . . . . . 8 18863 7 >> 149 1 1.552 . . . . . . . . . . . . 8 18863 7 >> 149 2 26.685 . . . . . . . . . . . . 8 18863 7 >> 150 1 1.428 . . . . . . . . . . . . 8 18863 7 >> 150 2 26.715 . . . . . . . . . . . . 8 18863 7 >> 151 1 2.911 . . . . . . . . . . . . 8 18863 7 >> 151 2 43.598 . . . . . . . . . . . . 8 18863 7 >> 152 1 2.878 . . . . . . . . . . . . 8 18863 7 >> 152 2 43.562 . . . . . . . . . . . . 8 18863 7 >> 153 1 1.541 . . . . . . . . . . . . 8 18863 7 >> 153 2 44.213 . . . . . . . . . . . . 8 18863 7 >> 154 1 1.519 . . . . . . . . . . . . 8 18863 7 >> 154 2 44.195 . . . . . . . . . . . . 8 18863 7 >> 155 1 1.826 . . . . . . . . . . . . 8 18863 7 >> 155 2 28.449 . . . . . . . . . . . . 8 18863 7 >> 156 1 0.857 . . . . . . . . . . . . 8 18863 7 >> 156 2 26.477 . . . . . . . . . . . . 8 18863 7 >> 157 1 0.823 . . . . . . . . . . . . 8 18863 7 >> 157 2 26.441 . . . . . . . . . . . . 8 18863 7 >> 158 1 4.288 . . . . . . . . . . . . 8 18863 7 >> 158 2 66.899 . . . . . . . . . . . . 8 18863 7 >> 159 1 1.833 . . . . . . . . . . . . 8 18863 7 >> 159 2 32.855 . . . . . . . . . . . . 8 18863 7 >> 160 1 1.808 . . . . . . . . . . . . 8 18863 7 >> 160 2 32.855 . . . . . . . . . . . . 8 18863 7 >> 161 1 1.949 . . . . . . . . . . . . 8 18863 7 >> 161 2 29.415 . . . . . . . . . . . . 8 18863 7 >> 162 1 1.928 . . . . . . . . . . . . 8 18863 7 >> 162 2 29.379 . . . . . . . . . . . . 8 18863 7 >> 163 1 3.539 . . . . . . . . . . . . 8 18863 7 >> 163 2 51.654 . . . . . . . . . . . . 8 18863 7 >> 164 1 3.527 . . . . . . . . . . . . 8 18863 7 >> 164 2 51.618 . . . . . . . . . . . . 8 18863 7 >> 165 1 3.038 . . . . . . . . . . . . 8 18863 7 >> 165 2 39.870 . . . . . . . . . . . . 8 18863 7 >> 166 1 2.824 . . . . . . . . . . . . 8 18863 7 >> 166 2 41.012 . . . . . . . . . . . . 8 18863 7 >> 167 1 2.921 . . . . . . . . . . . . 8 18863 7 >> 167 2 40.193 . . . . . . . . . . . . 8 18863 7 >> 168 1 2.896 . . . . . . . . . . . . 8 18863 7 >> 168 2 40.193 . . . . . . . . . . . . 8 18863 7 >> 169 1 4.008 . . . . . . . . . . . . 8 18863 7 >> 169 2 64.969 . . . . . . . . . . . . 8 18863 7 >> 170 1 0.832 . . . . . . . . . . . . 8 18863 7 >> 170 2 22.346 . . . . . . . . . . . . 8 18863 7 >> 171 1 0.810 . . . . . . . . . . . . 8 18863 7 >> 171 2 22.321 . . . . . . . . . . . . 8 18863 7 >> 172 1 3.217 . . . . . . . . . . . . 8 18863 7 >> 172 2 29.079 . . . . . . . . . . . . 8 18863 7 >> 173 1 3.990 . . . . . . . . . . . . 8 18863 7 >> 173 2 67.827 . . . . . . . . . . . . 8 18863 7 >> 174 1 1.647 . . . . . . . . . . . . 8 18863 7 >> 174 2 32.717 . . . . . . . . . . . . 8 18863 7 >> 175 1 1.685 . . . . . . . . . . . . 8 18863 7 >> 175 2 43.252 . . . . . . . . . . . . 8 18863 7 >> 176 1 1.661 . . . . . . . . . . . . 8 18863 7 >> 176 2 43.239 . . . . . . . . . . . . 8 18863 7 >> 177 1 1.642 . . . . . . . . . . . . 8 18863 7 >> 177 2 28.640 . . . . . . . . . . . . 8 18863 7 >> 178 1 0.848 . . . . . . . . . . . . 8 18863 7 >> 178 2 25.734 . . . . . . . . . . . . 8 18863 7 >> 179 1 0.809 . . . . . . . . . . . . 8 18863 7 >> 179 2 25.685 . . . . . . . . . . . . 8 18863 7 >> 180 1 1.590 . . . . . . . . . . . . 8 18863 7 >> 180 2 43.173 . . . . . . . . . . . . 8 18863 7 >> 181 1 1.554 . . . . . . . . . . . . 8 18863 7 >> 181 2 43.148 . . . . . . . . . . . . 8 18863 7 >> 182 1 4.015 . . . . . . . . . . . . 8 18863 7 >> 182 2 59.504 . . . . . . . . . . . . 8 18863 7 >> 183 1 1.801 . . . . . . . . . . . . 8 18863 7 >> 183 2 43.264 . . . . . . . . . . . . 8 18863 7 >> 184 1 1.652 . . . . . . . . . . . . 8 18863 7 >> 184 2 43.188 . . . . . . . . . . . . 8 18863 7 >> 185 1 3.964 . . . . . . . . . . . . 8 18863 7 >> 185 2 59.485 . . . . . . . . . . . . 8 18863 7 >> 186 1 1.711 . . . . . . . . . . . . 8 18863 7 >> 186 2 43.479 . . . . . . . . . . . . 8 18863 7 >> 187 1 1.677 . . . . . . . . . . . . 8 18863 7 >> 187 2 43.479 . . . . . . . . . . . . 8 18863 7 >> 188 1 4.000 . . . . . . . . . . . . 8 18863 7 >> 188 2 59.384 . . . . . . . . . . . . 8 18863 7 >> 189 1 1.857 . . . . . . . . . . . . 8 18863 7 >> 189 2 43.505 . . . . . . . . . . . . 8 18863 7 >> 190 1 1.841 . . . . . . . . . . . . 8 18863 7 >> 190 2 43.479 . . . . . . . . . . . . 8 18863 7 >> 191 1 4.064 . . . . . . . . . . . . 8 18863 7 >> 191 2 58.111 . . . . . . . . . . . . 8 18863 7 >> 192 1 1.831 . . . . . . . . . . . . 8 18863 7 >> 192 2 43.779 . . . . . . . . . . . . 8 18863 7 >> 193 1 1.442 . . . . . . . . . . . . 8 18863 7 >> 193 2 43.741 . . . . . . . . . . . . 8 18863 7 >> 194 1 1.815 . . . . . . . . . . . . 8 18863 7 >> 194 2 28.406 . . . . . . . . . . . . 8 18863 7 >> 195 1 0.803 . . . . . . . . . . . . 8 18863 7 >> 195 2 26.531 . . . . . . . . . . . . 8 18863 7 >> 196 1 0.785 . . . . . . . . . . . . 8 18863 7 >> 196 2 24.212 . . . . . . . . . . . . 8 18863 7 >> 197 1 2.982 . . . . . . . . . . . . 8 18863 7 >> 197 2 39.893 . . . . . . . . . . . . 8 18863 7 >> 198 1 0.920 . . . . . . . . . . . . 8 18863 7 >> 198 2 18.627 . . . . . . . . . . . . 8 18863 7 >> 199 1 0.809 . . . . . . . . . . . . 8 18863 7 >> 199 2 18.737 . . . . . . . . . . . . 8 18863 7 >> 200 1 3.991 . . . . . . . . . . . . 8 18863 7 >> 200 2 64.723 . . . . . . . . . . . . 8 18863 7 >> 201 1 3.045 . . . . . . . . . . . . 8 18863 7 >> 201 2 39.376 . . . . . . . . . . . . 8 18863 7 >> 202 1 3.031 . . . . . . . . . . . . 8 18863 7 >> 202 2 39.415 . . . . . . . . . . . . 8 18863 7 >> 203 1 4.391 . . . . . . . . . . . . 8 18863 7 >> 203 2 57.726 . . . . . . . . . . . . 8 18863 7 >> 204 1 3.084 . . . . . . . . . . . . 8 18863 7 >> 204 2 38.704 . . . . . . . . . . . . 8 18863 7 >> 205 1 2.733 . . . . . . . . . . . . 8 18863 7 >> 205 2 38.704 . . . . . . . . . . . . 8 18863 7 >> 206 1 1.759 . . . . . . . . . . . . 8 18863 7 >> 206 2 43.266 . . . . . . . . . . . . 8 18863 7 >> 207 1 1.461 . . . . . . . . . . . . 8 18863 7 >> 207 2 43.305 . . . . . . . . . . . . 8 18863 7 >> 208 1 4.287 . . . . . . . . . . . . 8 18863 7 >> 208 2 66.774 . . . . . . . . . . . . 8 18863 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 . . 4.007 . 1 1 1 20 ALA HA . . . . . . 244 . 18863 7 >> 1 2 . 1 . . 57.029 . 1 1 1 20 ALA CA . . . . . . 225 . 18863 7 >> 2 1 . 1 . . 4.009 . 1 1 1 21 LEU HA . . . . . . 247 . 18863 7 >> 2 2 . 1 . . 59.829 . 1 1 1 21 LEU CA . . . . . . 224 . 18863 7 >> 3 1 . 1 . . 1.691 . 1 1 1 21 LEU HB2 . . . . . . 248 . 18863 7 >> 3 2 . 1 . . 43.422 . 1 1 1 21 LEU CB . . . . . . 249 . 18863 7 >> 4 1 . 1 . . 1.654 . 1 1 1 21 LEU HB3 . . . . . . 250 . 18863 7 >> 4 2 . 1 . . 43.422 . 1 1 1 21 LEU CB . . . . . . 249 . 18863 7 >> 5 1 . 1 . . 1.717 . 1 1 1 21 LEU HG . . . . . . 251 . 18863 7 >> 5 2 . 1 . . 28.650 . 1 1 1 21 LEU CG . . . . . . 252 . 18863 7 >> 6 1 . 1 . . 0.876 . 1 1 1 21 LEU MD1 . . . . . . 253 . 18863 7 >> 6 2 . 1 . . 25.726 . 1 1 1 21 LEU CD1 . . . . . . 254 . 18863 7 >> 7 1 . 1 . . 0.821 . 1 1 1 21 LEU MD2 . . . . . . 255 . 18863 7 >> 7 2 . 1 . . 25.228 . 1 1 1 21 LEU CD2 . . . . . . 256 . 18863 7 >> 8 1 . 1 . . 4.306 . 1 1 1 23 ASN HA . . . . . . 257 . 18863 7 >> 8 2 . 1 . . 57.834 . 1 1 1 23 ASN CA . . . . . . 233 . 18863 7 >> 9 1 . 1 . . 3.037 . 1 1 1 23 ASN HB2 . . . . . . 258 . 18863 7 >> 9 2 . 1 . . 39.537 . 1 1 1 23 ASN CB . . . . . . 259 . 18863 7 >> 10 1 . 1 . . 2.576 . 1 1 1 23 ASN HB3 . . . . . . 260 . 18863 7 >> 10 2 . 1 . . 39.513 . 1 1 1 23 ASN CB . . . . . . 259 . 18863 7 >> 11 1 . 1 . . 3.603 . 1 1 1 25 VAL HA . . . . . . 261 . 18863 7 >> 11 2 . 1 . . 68.718 . 1 1 1 25 VAL CA . . . . . . 231 . 18863 7 >> 12 1 . 2 . . 2.297 . 1 1 1 25 VAL HB . . . . . . 262 . 18863 7 >> 12 2 . 1 . . 33.377 . 1 1 1 25 VAL CB . . . . . . 263 . 18863 7 >> 13 1 . 1 . . 1.044 . 1 1 1 25 VAL MG1 . . . . . . 264 . 18863 7 >> 13 2 . 1 . . 24.319 . 1 1 1 25 VAL CG1 . . . . . . 265 . 18863 7 >> 14 1 . 1 . . 0.895 . 1 1 1 25 VAL MG2 . . . . . . 266 . 18863 7 >> 14 2 . 1 . . 22.614 . 1 1 1 25 VAL CG2 . . . . . . 267 . 18863 7 >> 15 1 . 1 . . 4.397 . 1 1 1 28 ASN HA . . . . . . 268 . 18863 7 >> 15 2 . 2 . . 58.565 . 1 1 1 28 ASN CA . . . . . . 204 . 18863 7 >> 16 1 . 1 . . 2.901 . 1 1 1 28 ASN HB2 . . . . . . 270 . 18863 7 >> 16 2 . 1 . . 40.303 . 1 1 1 28 ASN CB . . . . . . 271 . 18863 7 >> 17 1 . 1 . . 4.007 . 1 1 1 29 ALA HA . . . . . . 272 . 18863 7 >> 17 2 . 2 . . 57.337 . 1 1 1 29 ALA CA . . . . . . 203 . 18863 7 >> 18 1 . 1 . . 1.397 . 1 1 1 29 ALA MB . . . . . . 274 . 18863 7 >> 18 2 . 1 . . 19.354 . 1 1 1 29 ALA CB . . . . . . 275 . 18863 7 >> 19 1 . 1 . . 4.144 . 1 1 1 31 SER HA . . . . . . 276 . 18863 7 >> 19 2 . 2 . . 63.710 . 1 1 1 31 SER CA . . . . . . 201 . 18863 7 >> 20 1 . 2 . . 4.081 . 1 1 1 31 SER HB3 . . . . . . 280 . 18863 7 >> 20 2 . 1 . . 64.743 . 1 1 1 31 SER CB . . . . . . 279 . 18863 7 >> 21 1 . 1 . . 2.141 . 1 1 1 32 VAL HB . . . . . . 281 . 18863 7 >> 21 2 . 1 . . 33.637 . 1 1 1 32 VAL CB . . . . . . 282 . 18863 7 >> 22 1 . 1 . . 3.595 . 1 1 1 32 VAL HA . . . . . . 283 . 18863 7 >> 22 2 . 1 . . 68.318 . 1 1 1 32 VAL CA . . . . . . 284 . 18863 7 >> 23 1 . 1 . . 4.095 . 1 1 1 33 ALA HA . . . . . . 285 . 18863 7 >> 23 2 . 2 . . 57.234 . 1 1 1 33 ALA CA . . . . . . 195 . 18863 7 >> 24 1 . 1 . . 3.918 . 1 1 1 48 ALA HA . . . . . . 411 . 18863 7 >> 24 2 . 1 . . 56.910 . 1 1 1 48 ALA CA . . . . . . 220 . 18863 7 >> 25 1 . 1 . . 3.777 . 1 1 1 37 GLY HA2 . . . . . . 290 . 18863 7 >> 25 2 . 3 . . 48.706 . 1 1 1 37 GLY CA . . . . . . 178 . 18863 7 >> 26 1 . 1 . . 4.071 . 1 1 1 35 ALA HA . . . . . . 292 . 18863 7 >> 26 2 . 2 . . 57.051 . 1 1 1 35 ALA CA . . . . . . 176 . 18863 7 >> 27 1 . 1 . . 3.371 . 1 1 1 36 HIS HB2 . . . . . . 294 . 18863 7 >> 27 2 . 1 . . 29.627 . 1 1 1 36 HIS CB . . . . . . 295 . 18863 7 >> 28 1 . 1 . . 4.244 . 1 1 1 36 HIS HA . . . . . . 296 . 18863 7 >> 28 2 . 2 . . 60.718 . 1 1 1 36 HIS CA . . . . . . 177 . 18863 7 >> 29 1 . 2 . . 1.863 . 1 1 1 51 ILE HB . . . . . . 726 . 18863 7 >> 29 2 . 2 . . 39.489 . 1 1 1 51 ILE CB . . . . . . 727 . 18863 7 >> 30 1 . 1 . . 3.796 . 1 1 1 38 ILE HA . . . . . . 302 . 18863 7 >> 30 2 . 2 . . 66.576 . 1 1 1 38 ILE CA . . . . . . 184 . 18863 7 >> 31 1 . 1 . . 4.063 . 1 1 1 39 LEU HA . . . . . . 304 . 18863 7 >> 31 2 . 1 . . 59.685 . 1 . . . . . . . . . . . 305 . 18863 7 >> 32 1 . 1 . . 1.773 . 1 1 1 39 LEU HB2 . . . . . . 306 . 18863 7 >> 32 2 . 1 . . 43.363 . 1 1 1 39 LEU CB . . . . . . 307 . 18863 7 >> 33 1 . 1 . . 3.805 . 1 1 1 40 SER HB2 . . . . . . 308 . 18863 7 >> 33 2 . 2 . . 65.093 . 1 1 1 40 SER CB . . . . . . 310 . 18863 7 >> 34 1 . 1 . . 3.789 . 1 1 1 40 SER HA . . . . . . 311 . 18863 7 >> 34 2 . 2 . . 64.621 . 1 1 1 40 SER CA . . . . . . 186 . 18863 7 >> 35 1 . 1 . . 1.814 . 1 1 1 42 LEU HB2 . . . . . . 313 . 18863 7 >> 35 2 . 1 . . 43.800 . 1 1 1 42 LEU CB . . . . . . 314 . 18863 7 >> 37 1 . 1 . . 1.903 . 1 1 1 43 VAL HB . . . . . . 317 . 18863 7 >> 37 2 . 1 . . 33.693 . 1 1 1 32 VAL CB . . . . . . 282 . 18863 7 >> 37 2 . 2 . . 33.693 . 1 1 1 43 VAL CB . . . . . . 318 . 18863 7 >> 38 1 . 1 . . 1.839 . 1 . . . . . . . . . . . 319 . 18863 7 >> 38 2 . 1 . . 33.456 . 1 . . . . . . . . . . . 320 . 18863 7 >> 39 1 . 2 . . 1.951 . 1 1 1 38 ILE HB . . . . . . 300 . 18863 7 >> 39 2 . 2 . . 39.472 . 1 1 1 38 ILE CB . . . . . . 301 . 18863 7 >> 41 1 . 1 . . 3.973 . 1 1 1 49 TRP HA . . . . . . 324 . 18863 7 >> 41 2 . 1 . . 62.501 . 1 1 1 49 TRP CA . . . . . . 325 . 18863 7 >> 42 1 . 1 . . 3.956 . 1 1 1 50 TYR HA . . . . . . 326 . 18863 7 >> 42 2 . 1 . . 63.419 . 1 1 1 50 TYR CA . . . . . . 327 . 18863 7 >> 43 1 . 1 . . 3.464 . 1 1 1 51 ILE HA . . . . . . 328 . 18863 7 >> 43 2 . 1 . . 66.667 . 1 1 1 51 ILE CA . . . . . . 329 . 18863 7 >> 44 1 . 1 . . 3.947 . 1 1 1 44 PHE HA . . . . . . 323 . 18863 7 >> 44 2 . 1 . . 61.093 . 1 1 1 44 PHE CA . . . . . . 216 . 18863 7 >> 45 1 . 2 . . 4.010 . 1 1 1 54 ARG HA . . . . . . 332 . 18863 7 >> 45 2 . 2 . . 58.550 . 1 1 1 54 ARG CA . . . . . . 181 . 18863 7 >> 46 1 . 1 . . 4.239 . 1 1 1 55 LEU HA . . . . . . 334 . 18863 7 >> 46 2 . 1 . . 56.716 . 1 1 1 55 LEU CA . . . . . . 335 . 18863 7 >> 47 1 . 1 . . 4.416 . 1 1 1 56 ALA HA . . . . . . 336 . 18863 7 >> 47 2 . 1 . . 54.440 . 1 1 1 56 ALA CA . . . . . . 337 . 18863 7 >> 48 1 . 1 . . 1.336 . 1 1 1 56 ALA MB . . . . . . 338 . 18863 7 >> 48 2 . 1 . . 18.832 . 1 1 1 56 ALA CB . . . . . . 339 . 18863 7 >> 49 1 . 1 . . 3.800 . 1 1 1 58 GLY HA2 . . . . . . 340 . 18863 7 >> 49 2 . 1 . . 48.116 . 1 1 1 58 GLY CA . . . . . . 341 . 18863 7 >> 50 1 . 1 . . 4.019 . 1 1 1 59 ALA HA . . . . . . 342 . 18863 7 >> 50 2 . 1 . . 55.532 . 1 1 1 59 ALA CA . . . . . . 343 . 18863 7 >> 51 1 . 1 . . 1.354 . 1 1 1 59 ALA MB . . . . . . 344 . 18863 7 >> 51 2 . 1 . . 19.857 . 1 1 1 59 ALA CB . . . . . . 345 . 18863 7 >> 52 1 . 1 . . 4.083 . 1 1 1 60 ALA HA . . . . . . 346 . 18863 7 >> 52 2 . 1 . . 56.082 . 1 1 1 60 ALA CA . . . . . . 347 . 18863 7 >> 53 1 . 1 . . 4.254 . 1 1 1 61 TYR HA . . . . . . 348 . 18863 7 >> 53 2 . 1 . . 62.285 . 1 1 1 61 TYR CA . . . . . . 349 . 18863 7 >> 54 1 . 1 . . 3.937 . 1 1 1 62 ALA HA . . . . . . 350 . 18863 7 >> 54 2 . 1 . . 56.209 . 1 1 1 62 ALA CA . . . . . . 351 . 18863 7 >> 55 1 . 1 . . 4.190 . 1 1 1 63 PHE HA . . . . . . 352 . 18863 7 >> 55 2 . 1 . . 61.784 . 1 1 1 63 PHE CA . . . . . . 353 . 18863 7 >> 56 1 . 1 . . 4.344 . 1 1 1 64 TYR HA . . . . . . 354 . 18863 7 >> 56 2 . 1 . . 61.385 . 1 1 1 64 TYR CA . . . . . . 355 . 18863 7 >> 57 1 . 1 . . 3.684 . 1 1 1 65 GLY HA3 . . . . . . 356 . 18863 7 >> 57 2 . 2 . . 47.395 . 1 1 1 65 GLY CA . . . . . . 172 . 18863 7 >> 58 1 . 1 . . 2.062 . 1 1 1 66 VAL HB . . . . . . 358 . 18863 7 >> 58 2 . 1 . . 34.092 . 1 1 1 66 VAL CB . . . . . . 359 . 18863 7 >> 59 1 . 2 . . 3.975 . 1 1 1 40 SER HB3 . . . . . . 407 . 18863 7 >> 59 2 . 2 . . 64.970 . 1 1 1 40 SER CB . . . . . . 310 . 18863 7 >> 60 1 . 1 . . 4.503 . 1 1 1 67 TRP HA . . . . . . 362 . 18863 7 >> 60 2 . 1 . . 62.867 . 1 1 1 67 TRP CA . . . . . . 363 . 18863 7 >> 61 1 . 1 . . 3.224 . 1 1 1 67 TRP HB2 . . . . . . 364 . 18863 7 >> 61 2 . 1 . . 29.038 . 1 1 1 67 TRP CB . . . . . . 365 . 18863 7 >> 62 1 . 3 . . 3.959 . 1 1 1 69 LEU HA . . . . . . 366 . 18863 7 >> 62 2 . 3 . . 59.172 . 1 1 1 69 LEU CA . . . . . . 367 . 18863 7 >> 63 1 . 1 . . 1.629 . 1 1 1 68 PRO HB3 . . . . . . 691 . 18863 7 >> 63 2 . 1 . . 32.707 . 1 1 1 68 PRO CB . . . . . . 690 . 18863 7 >> 64 1 . 1 . . 3.905 . 1 1 1 70 LEU HA . . . . . . 370 . 18863 7 >> 64 2 . 1 . . 59.689 . 1 1 1 70 LEU CA . . . . . . 371 . 18863 7 >> 65 1 . 1 . . 4.176 . 1 1 1 75 ALA HA . . . . . . 374 . 18863 7 >> 65 2 . 2 . . 54.385 . 1 1 1 75 ALA CA . . . . . . 221 . 18863 7 >> 66 1 . 1 . . 1.388 . 1 1 1 75 ALA MB . . . . . . 376 . 18863 7 >> 66 2 . 1 . . 20.595 . 1 1 1 75 ALA CB . . . . . . 377 . 18863 7 >> 67 1 . 1 . . 4.160 . 1 1 1 81 TYR HA . . . . . . 378 . 18863 7 >> 67 2 . 2 . . 61.566 . 1 1 1 81 TYR CA . . . . . . 211 . 18863 7 >> 68 1 . 1 . . 3.994 . 1 1 1 30 ALA HA . . . . . . 289 . 18863 7 >> 68 2 . 1 . . 56.966 . 1 1 1 30 ALA CA . . . . . . 202 . 18863 7 >> 69 1 . 1 . . 1.450 . 1 1 1 30 ALA MB . . . . . . 380 . 18863 7 >> 69 2 . 1 . . 19.302 . 1 1 1 30 ALA CB . . . . . . 381 . 18863 7 >> 70 1 . 1 . . 1.029 . 1 1 1 32 VAL MG1 . . . . . . 382 . 18863 7 >> 70 2 . 1 . . 24.305 . 1 1 1 32 VAL CG1 . . . . . . 383 . 18863 7 >> 71 1 . 1 . . 0.879 . 1 1 1 32 VAL MG2 . . . . . . 384 . 18863 7 >> 71 2 . 1 . . 22.725 . 1 1 1 32 VAL CG2 . . . . . . 385 . 18863 7 >> 72 1 . 1 . . 1.455 . 1 1 1 33 ALA MB . . . . . . 386 . 18863 7 >> 72 2 . 1 . . 19.488 . 1 1 1 33 ALA CB . . . . . . 387 . 18863 7 >> 73 1 . 2 . . 3.808 . 1 1 1 34 GLY HA2 . . . . . . 298 . 18863 7 >> 73 2 . 1 . . 48.454 . 1 1 1 34 GLY CA . . . . . . 299 . 18863 7 >> 74 1 . 1 . . 1.488 . 1 1 1 35 ALA MB . . . . . . 389 . 18863 7 >> 74 2 . 1 . . 19.276 . 1 1 1 35 ALA CB . . . . . . 390 . 18863 7 >> 75 1 . 1 . . 3.924 . 1 1 1 37 GLY HA3 . . . . . . 391 . 18863 7 >> 75 2 . 1 . . 48.869 . 1 1 1 37 GLY CA . . . . . . 178 . 18863 7 >> 76 1 . 1 . . 1.740 . 1 1 1 38 ILE HG12 . . . . . . 392 . 18863 7 >> 76 2 . 1 . . 30.963 . 1 1 1 38 ILE CG1 . . . . . . 393 . 18863 7 >> 77 1 . 1 . . 1.144 . 1 1 1 38 ILE HG13 . . . . . . 394 . 18863 7 >> 77 2 . 2 . . 30.847 . 1 1 1 38 ILE CG1 . . . . . . 393 . 18863 7 >> 78 1 . 1 . . 0.800 . 1 1 1 38 ILE MD . . . . . . 396 . 18863 7 >> 78 2 . 1 . . 14.173 . 1 1 1 38 ILE CD1 . . . . . . 397 . 18863 7 >> 79 1 . 1 . . 1.708 . 1 1 1 39 LEU HB3 . . . . . . 400 . 18863 7 >> 79 2 . 1 . . 43.317 . 1 1 1 39 LEU CB . . . . . . 307 . 18863 7 >> 80 1 . 1 . . 1.747 . 1 1 1 39 LEU HG . . . . . . 401 . 18863 7 >> 80 2 . 1 . . 28.687 . 1 1 1 39 LEU CG . . . . . . 402 . 18863 7 >> 81 1 . 1 . . 0.877 . 1 1 1 39 LEU MD1 . . . . . . 403 . 18863 7 >> 81 2 . 1 . . 25.496 . 1 1 1 39 LEU CD1 . . . . . . 404 . 18863 7 >> 82 1 . 1 . . 0.829 . 1 1 1 39 LEU MD2 . . . . . . 405 . 18863 7 >> 82 2 . 1 . . 25.496 . 1 1 1 39 LEU CD2 . . . . . . 406 . 18863 7 >> 83 1 . 1 . . 4.030 . 1 1 1 47 ALA HA . . . . . . 408 . 18863 7 >> 83 2 . 1 . . 56.934 . 1 1 1 47 ALA CA . . . . . . 219 . 18863 7 >> 84 1 . 1 . . 1.475 . 1 1 1 47 ALA MB . . . . . . 409 . 18863 7 >> 84 2 . 1 . . 19.367 . 1 1 1 47 ALA CB . . . . . . 410 . 18863 7 >> 86 1 . 1 . . 1.397 . 1 1 1 48 ALA MB . . . . . . 412 . 18863 7 >> 86 2 . 1 . . 19.132 . 1 1 1 48 ALA CB . . . . . . 413 . 18863 7 >> 87 1 . 1 . . 3.175 . 1 1 1 49 TRP HB2 . . . . . . 414 . 18863 7 >> 87 2 . 1 . . 30.632 . 1 1 1 49 TRP CB . . . . . . 415 . 18863 7 >> 88 1 . 1 . . 2.884 . 1 1 1 49 TRP HB3 . . . . . . 416 . 18863 7 >> 88 2 . 1 . . 30.554 . 1 1 1 49 TRP CB . . . . . . 415 . 18863 7 >> 89 1 . 2 . . 3.104 . 1 1 1 50 TYR HB2 . . . . . . 419 . 18863 7 >> 89 2 . 1 . . 39.845 . 1 1 1 50 TYR CB . . . . . . 418 . 18863 7 >> 90 1 . 1 . . 2.943 . 1 . . . . . . . . . . . 420 . 18863 7 >> 90 2 . 1 . . 38.707 . 1 . . . . . . . . . . . 421 . 18863 7 >> 91 1 . 1 . . 3.471 . 1 1 1 53 GLY HA2 . . . . . . 422 . 18863 7 >> 91 2 . 1 . . 47.977 . 1 1 1 53 GLY CA . . . . . . 183 . 18863 7 >> 92 1 . 1 . . 3.630 . 1 1 1 53 GLY HA3 . . . . . . 424 . 18863 7 >> 92 2 . 1 . . 47.959 . 1 1 1 53 GLY CA . . . . . . 183 . 18863 7 >> 93 1 . 4 . . 3.775 . 1 1 1 58 GLY HA3 . . . . . . 430 . 18863 7 >> 93 2 . 1 . . 48.119 . 1 1 1 58 GLY CA . . . . . . 341 . 18863 7 >> 94 1 . 6 . . 3.788 . 1 1 1 34 GLY HA3 . . . . . . 485 . 18863 7 >> 94 2 . 1 . . 48.442 . 1 1 1 34 GLY CA . . . . . . 299 . 18863 7 >> 95 1 . 1 . . 1.370 . 1 1 1 60 ALA MB . . . . . . 431 . 18863 7 >> 95 2 . 1 . . 19.895 . 1 1 1 60 ALA CB . . . . . . 432 . 18863 7 >> 96 1 . 1 . . 2.993 . 1 1 1 61 TYR HB3 . . . . . . 433 . 18863 7 >> 96 2 . 1 . . 39.846 . 1 1 1 61 TYR CB . . . . . . 434 . 18863 7 >> 97 1 . 1 . . 1.294 . 1 1 1 62 ALA MB . . . . . . 435 . 18863 7 >> 97 2 . 1 . . 19.663 . 1 1 1 62 ALA CB . . . . . . 436 . 18863 7 >> 98 1 . 1 . . 2.836 . 1 1 1 63 PHE HB2 . . . . . . 437 . 18863 7 >> 98 2 . 1 . . 40.995 . 1 1 1 63 PHE CB . . . . . . 438 . 18863 7 >> 99 1 . 1 . . 3.861 . 1 1 1 65 GLY HA2 . . . . . . 441 . 18863 7 >> 99 2 . 1 . . 47.397 . 1 1 1 65 GLY CA . . . . . . 172 . 18863 7 >> 100 1 . 1 . . 3.996 . 1 1 1 82 ALA HA . . . . . . 442 . 18863 7 >> 100 2 . 1 . . 55.487 . 1 1 1 82 ALA CA . . . . . . 210 . 18863 7 >> 101 1 . 1 . . 1.331 . 1 1 1 82 ALA MB . . . . . . 443 . 18863 7 >> 101 2 . 1 . . 19.979 . 1 1 1 82 ALA CB . . . . . . 444 . 18863 7 >> 102 1 . 1 . . 1.328 . 1 1 1 83 ALA MB . . . . . . 445 . 18863 7 >> 102 2 . 1 . . 20.147 . 1 1 1 83 ALA CB . . . . . . 446 . 18863 7 >> 103 1 . 1 . . 4.050 . 1 1 1 83 ALA HA . . . . . . 447 . 18863 7 >> 103 2 . 2 . . 55.175 . 1 1 1 83 ALA CA . . . . . . 209 . 18863 7 >> 104 1 . 1 . . 4.127 . 1 1 1 84 ALA HA . . . . . . 449 . 18863 7 >> 104 2 . 2 . . 54.524 . 1 1 1 84 ALA CA . . . . . . 208 . 18863 7 >> 105 1 . 1 . . 1.315 . 1 1 1 84 ALA MB . . . . . . 451 . 18863 7 >> 105 2 . 1 . . 20.295 . 1 1 1 84 ALA CB . . . . . . 452 . 18863 7 >> 106 1 . 1 . . 1.231 . 1 1 1 85 ALA MB . . . . . . 453 . 18863 7 >> 106 2 . 1 . . 20.425 . 1 1 1 85 ALA CB . . . . . . 454 . 18863 7 >> 107 1 . 1 . . 4.270 . 1 1 1 85 ALA HA . . . . . . 455 . 18863 7 >> 107 2 . 1 . . 53.324 . 1 1 1 85 ALA CA . . . . . . 207 . 18863 7 >> 108 1 . 1 . . 3.811 . 1 1 1 86 SER HA . . . . . . 456 . 18863 7 >> 108 2 . 1 . . 59.619 . 1 1 1 86 SER CA . . . . . . 457 . 18863 7 >> 109 1 . 1 . . 3.782 . 1 . . . . . . . . . . . 458 . 18863 7 >> 109 2 . 1 . . 65.802 . 1 1 1 86 SER CB . . . . . . 459 . 18863 7 >> 110 1 . 1 . . 4.044 . 1 1 1 80 ALA HA . . . . . . 460 . 18863 7 >> 110 2 . 1 . . 55.571 . 1 1 1 80 ALA CA . . . . . . 461 . 18863 7 >> 111 1 . 1 . . 1.259 . 1 1 1 80 ALA MB . . . . . . 462 . 18863 7 >> 111 2 . 1 . . 20.255 . 1 1 1 80 ALA CB . . . . . . 463 . 18863 7 >> 112 1 . 1 . . 2.882 . 1 1 1 81 TYR HB3 . . . . . . 464 . 18863 7 >> 112 2 . 1 . . 39.904 . 1 1 1 81 TYR CB . . . . . . 465 . 18863 7 >> 113 1 . 1 . . 2.166 . 1 1 1 22 GLU HB2 . . . . . . 466 . 18863 7 >> 113 2 . 1 . . 29.526 . 1 1 1 22 GLU CB . . . . . . 467 . 18863 7 >> 114 1 . 1 . . 3.915 . 1 1 1 22 GLU HA . . . . . . 468 . 18863 7 >> 114 2 . 2 . . 60.890 . 1 1 1 22 GLU CA . . . . . . 223 . 18863 7 >> 115 1 . 1 . . 4.119 . 1 1 1 86 SER HB2 . . . . . . 486 . 18863 7 >> 115 2 . 3 . . 59.930 . 1 . . . . . . . . . . . 487 . 18863 7 >> 116 1 . 1 . . 4.076 . 1 1 1 86 SER HB3 . . . . . . 489 . 18863 7 >> 116 2 . 1 . . 59.940 . 1 . . . . . . . . . . . 490 . 18863 7 >> 117 1 . 1 . . 4.038 . 1 1 1 24 LEU HA . . . . . . 584 . 18863 7 >> 117 2 . 2 . . 60.105 . 1 1 1 24 LEU CA . . . . . . 232 . 18863 7 >> 118 1 . 2 . . 4.398 . 1 1 1 45 PHE HA . . . . . . 493 . 18863 7 >> 118 2 . 1 . . 38.692 . 1 1 1 45 PHE CB . . . . . . 494 . 18863 7 >> 119 1 . 1 . . 1.348 . 1 . . . . . . . . . . . 497 . 18863 7 >> 120 1 . 1 . . 1.700 . 1 1 1 54 ARG HB3 . . . . . . 499 . 18863 7 >> 120 2 . 3 . . 30.910 . 1 1 1 54 ARG CB . . . . . . 498 . 18863 7 >> 121 1 . 1 . . 4.000 . 1 1 1 79 ARG HA . . . . . . 501 . 18863 7 >> 121 2 . 3 . . 59.258 . 1 1 1 79 ARG CA . . . . . . 213 . 18863 7 >> 122 1 . 1 . . 2.033 . 1 1 1 79 ARG HB2 . . . . . . 503 . 18863 7 >> 122 2 . 1 . . 31.093 . 1 1 1 79 ARG CB . . . . . . 504 . 18863 7 >> 123 1 . 1 . . 1.933 . 1 1 1 79 ARG HB3 . . . . . . 505 . 18863 7 >> 123 2 . 2 . . 31.034 . 1 1 1 79 ARG CB . . . . . . 504 . 18863 7 >> 124 1 . 1 . . 3.985 . 1 1 1 46 CYS HA . . . . . . 507 . 18863 7 >> 124 2 . 1 . . 60.713 . 1 . . . . . . . . . . . 508 . 18863 7 >> 125 1 . 1 . . 2.646 . 1 1 1 46 CYS HB2 . . . . . . 509 . 18863 7 >> 125 2 . 1 . . 33.904 . 1 1 1 46 CYS CB . . . . . . 510 . 18863 7 >> 126 1 . 1 . . 2.524 . 1 1 1 46 CYS HB3 . . . . . . 511 . 18863 7 >> 126 2 . 2 . . 33.944 . 1 1 1 46 CYS CB . . . . . . 510 . 18863 7 >> 127 1 . 1 . . 1.411 . 1 1 1 20 ALA MB . . . . . . 245 . 18863 7 >> 127 2 . 1 . . 19.302 . 1 1 1 20 ALA CB . . . . . . 246 . 18863 7 >> 128 1 . 1 . . 1.872 . 1 1 1 24 LEU HB2 . . . . . . 601 . 18863 7 >> 128 2 . 1 . . 43.582 . 1 1 1 24 LEU CB . . . . . . 600 . 18863 7 >> 129 1 . 1 . . 1.816 . 1 1 1 24 LEU HB3 . . . . . . 602 . 18863 7 >> 129 2 . 1 . . 43.616 . 1 1 1 24 LEU CB . . . . . . 600 . 18863 7 >> 130 1 . 1 . . 1.705 . 1 1 1 24 LEU HG . . . . . . 603 . 18863 7 >> 130 2 . 1 . . 28.642 . 1 1 1 24 LEU CG . . . . . . 604 . 18863 7 >> 131 1 . 1 . . 0.879 . 1 1 1 24 LEU MD1 . . . . . . 605 . 18863 7 >> 131 2 . 1 . . 25.335 . 1 1 1 24 LEU CD1 . . . . . . 606 . 18863 7 >> 132 1 . 1 . . 0.831 . 1 1 1 24 LEU MD2 . . . . . . 607 . 18863 7 >> 132 2 . 1 . . 25.302 . 1 1 1 24 LEU CD2 . . . . . . 608 . 18863 7 >> 133 1 . 1 . . 4.028 . 1 1 1 24 LEU HA . . . . . . 584 . 18863 7 >> 133 2 . 1 . . 59.885 . 1 1 1 24 LEU CA . . . . . . 232 . 18863 7 >> 134 1 . 1 . . 1.635 . 1 1 1 27 LEU HB3 . . . . . . 611 . 18863 7 >> 134 2 . 1 . . 43.438 . 1 1 1 27 LEU CB . . . . . . 610 . 18863 7 >> 135 1 . 1 . . 1.787 . 1 1 1 27 LEU HB2 . . . . . . 609 . 18863 7 >> 135 2 . 1 . . 43.421 . 1 1 1 27 LEU CB . . . . . . 610 . 18863 7 >> 136 1 . 2 . . 1.617 . 1 1 1 27 LEU HG . . . . . . 618 . 18863 7 >> 136 2 . 1 . . 28.853 . 1 1 1 27 LEU CG . . . . . . 613 . 18863 7 >> 137 1 . 1 . . 0.862 . 1 1 1 27 LEU MD1 . . . . . . 614 . 18863 7 >> 137 2 . 1 . . 25.318 . 1 1 1 27 LEU CD1 . . . . . . 615 . 18863 7 >> 138 1 . 1 . . 0.808 . 1 1 1 27 LEU MD2 . . . . . . 616 . 18863 7 >> 138 2 . 1 . . 25.305 . 1 1 1 27 LEU CD2 . . . . . . 617 . 18863 7 >> 139 1 . 1 . . 2.624 . 1 1 1 28 ASN HB3 . . . . . . 619 . 18863 7 >> 139 2 . 1 . . 40.436 . 1 1 1 28 ASN CB . . . . . . 271 . 18863 7 >> 140 1 . 1 . . 3.363 . 1 1 1 36 HIS HB3 . . . . . . 620 . 18863 7 >> 140 2 . 1 . . 29.626 . 1 1 1 36 HIS CB . . . . . . 295 . 18863 7 >> 141 1 . 1 . . 4.239 . 1 1 1 41 PHE HA . . . . . . 621 . 18863 7 >> 141 2 . 1 . . 63.702 . 1 1 1 41 PHE CA . . . . . . 188 . 18863 7 >> 142 1 . 1 . . 3.265 . 1 1 1 41 PHE HB2 . . . . . . 622 . 18863 7 >> 142 2 . 1 . . 40.550 . 1 1 1 41 PHE CB . . . . . . 623 . 18863 7 >> 143 1 . 1 . . 3.225 . 1 1 1 41 PHE HB3 . . . . . . 624 . 18863 7 >> 143 2 . 1 . . 40.587 . 1 1 1 41 PHE CB . . . . . . 623 . 18863 7 >> 144 1 . 1 . . 4.055 . 1 1 1 42 LEU HA . . . . . . 629 . 18863 7 >> 144 2 . 1 . . 60.122 . 1 1 1 42 LEU CA . . . . . . 218 . 18863 7 >> 146 1 . 2 . . 3.111 . 1 1 1 50 TYR HB2 . . . . . . 419 . 18863 7 >> 146 2 . 1 . . 39.893 . 1 1 1 50 TYR CB . . . . . . 418 . 18863 7 >> 147 1 . 1 . . 3.079 . 1 1 1 50 TYR HB3 . . . . . . 632 . 18863 7 >> 147 2 . 1 . . 39.857 . 1 1 1 50 TYR CB . . . . . . 418 . 18863 7 >> 148 1 . 1 . . 1.732 . 1 1 1 54 ARG HB2 . . . . . . 637 . 18863 7 >> 148 2 . 1 . . 30.830 . 1 1 1 54 ARG CB . . . . . . 498 . 18863 7 >> 149 1 . 1 . . 1.552 . 1 1 1 54 ARG HG2 . . . . . . 638 . 18863 7 >> 149 2 . 1 . . 26.685 . 1 1 1 54 ARG CG . . . . . . 639 . 18863 7 >> 150 1 . 1 . . 1.428 . 1 1 1 54 ARG HG3 . . . . . . 640 . 18863 7 >> 150 2 . 1 . . 26.715 . 1 1 1 54 ARG CG . . . . . . 639 . 18863 7 >> 151 1 . 1 . . 2.911 . 1 1 1 54 ARG HD2 . . . . . . 641 . 18863 7 >> 151 2 . 1 . . 43.598 . 1 1 1 54 ARG CD . . . . . . 642 . 18863 7 >> 152 1 . 1 . . 2.878 . 1 1 1 54 ARG HD3 . . . . . . 643 . 18863 7 >> 152 2 . 1 . . 43.562 . 1 1 1 54 ARG CD . . . . . . 642 . 18863 7 >> 153 1 . 1 . . 1.541 . 1 1 1 55 LEU HB2 . . . . . . 644 . 18863 7 >> 153 2 . 1 . . 44.213 . 1 1 1 55 LEU CB . . . . . . 645 . 18863 7 >> 154 1 . 1 . . 1.519 . 1 1 1 55 LEU HB3 . . . . . . 646 . 18863 7 >> 154 2 . 1 . . 44.195 . 1 1 1 55 LEU CB . . . . . . 645 . 18863 7 >> 155 1 . 1 . . 1.826 . 1 1 1 55 LEU HG . . . . . . 647 . 18863 7 >> 155 2 . 1 . . 28.449 . 1 1 1 55 LEU CG . . . . . . 648 . 18863 7 >> 156 1 . 1 . . 0.857 . 1 1 1 55 LEU MD1 . . . . . . 649 . 18863 7 >> 156 2 . 1 . . 26.477 . 1 1 1 55 LEU CD1 . . . . . . 650 . 18863 7 >> 157 1 . 1 . . 0.823 . 1 1 1 55 LEU MD2 . . . . . . 651 . 18863 7 >> 157 2 . 1 . . 26.441 . 1 1 1 55 LEU CD2 . . . . . . 652 . 18863 7 >> 158 1 . 1 . . 4.288 . 1 1 1 57 PRO HA . . . . . . 653 . 18863 7 >> 158 2 . 1 . . 66.899 . 1 1 1 57 PRO CA . . . . . . 654 . 18863 7 >> 159 1 . 1 . . 1.833 . 1 1 1 57 PRO HB2 . . . . . . 655 . 18863 7 >> 159 2 . 1 . . 32.855 . 1 1 1 57 PRO CB . . . . . . 656 . 18863 7 >> 160 1 . 1 . . 1.808 . 1 1 1 57 PRO HB3 . . . . . . 657 . 18863 7 >> 160 2 . 1 . . 32.855 . 1 1 1 57 PRO CB . . . . . . 656 . 18863 7 >> 161 1 . 1 . . 1.949 . 1 1 1 57 PRO HG2 . . . . . . 658 . 18863 7 >> 161 2 . 1 . . 29.415 . 1 1 1 57 PRO CG . . . . . . 659 . 18863 7 >> 162 1 . 1 . . 1.928 . 1 1 1 57 PRO HG3 . . . . . . 660 . 18863 7 >> 162 2 . 1 . . 29.379 . 1 1 1 57 PRO CG . . . . . . 659 . 18863 7 >> 163 1 . 1 . . 3.539 . 1 1 1 57 PRO HD2 . . . . . . 661 . 18863 7 >> 163 2 . 1 . . 51.654 . 1 1 1 57 PRO CD . . . . . . 662 . 18863 7 >> 164 1 . 1 . . 3.527 . 1 1 1 57 PRO HD3 . . . . . . 663 . 18863 7 >> 164 2 . 1 . . 51.618 . 1 1 1 57 PRO CD . . . . . . 662 . 18863 7 >> 165 1 . 1 . . 3.038 . 1 1 1 61 TYR HB2 . . . . . . 664 . 18863 7 >> 165 2 . 1 . . 39.870 . 1 1 1 61 TYR CB . . . . . . 434 . 18863 7 >> 166 1 . 1 . . 2.824 . 1 1 1 63 PHE HB3 . . . . . . 669 . 18863 7 >> 166 2 . 1 . . 41.012 . 1 1 1 63 PHE CB . . . . . . 438 . 18863 7 >> 167 1 . 1 . . 2.921 . 1 1 1 64 TYR HB2 . . . . . . 676 . 18863 7 >> 167 2 . 1 . . 40.193 . 1 1 1 64 TYR CB . . . . . . 440 . 18863 7 >> 168 1 . 1 . . 2.896 . 1 1 1 64 TYR HB3 . . . . . . 677 . 18863 7 >> 168 2 . 1 . . 40.193 . 1 1 1 64 TYR CB . . . . . . 440 . 18863 7 >> 169 1 . 1 . . 4.008 . 1 1 1 66 VAL HA . . . . . . 360 . 18863 7 >> 169 2 . 1 . . 64.969 . 1 1 1 66 VAL CA . . . . . . 361 . 18863 7 >> 170 1 . 1 . . 0.832 . 1 1 1 66 VAL MG1 . . . . . . 682 . 18863 7 >> 170 2 . 1 . . 22.346 . 1 1 1 66 VAL CG1 . . . . . . 683 . 18863 7 >> 171 1 . 1 . . 0.810 . 1 1 1 66 VAL MG2 . . . . . . 684 . 18863 7 >> 171 2 . 1 . . 22.321 . 1 1 1 66 VAL CG2 . . . . . . 685 . 18863 7 >> 172 1 . 1 . . 3.217 . 1 1 1 67 TRP HB3 . . . . . . 686 . 18863 7 >> 172 2 . 1 . . 29.079 . 1 1 1 67 TRP CB . . . . . . 365 . 18863 7 >> 173 1 . 1 . . 3.990 . 1 1 1 68 PRO HA . . . . . . 687 . 18863 7 >> 173 2 . 1 . . 67.827 . 1 1 1 68 PRO CA . . . . . . 688 . 18863 7 >> 174 1 . 1 . . 1.647 . 1 1 1 68 PRO HB2 . . . . . . 689 . 18863 7 >> 174 2 . 1 . . 32.717 . 1 1 1 68 PRO CB . . . . . . 690 . 18863 7 >> 175 1 . 1 . . 1.685 . 1 1 1 69 LEU HB2 . . . . . . 692 . 18863 7 >> 175 2 . 1 . . 43.252 . 1 1 1 69 LEU CB . . . . . . 693 . 18863 7 >> 176 1 . 1 . . 1.661 . 1 1 1 69 LEU HB3 . . . . . . 694 . 18863 7 >> 176 2 . 1 . . 43.239 . 1 1 1 69 LEU CB . . . . . . 693 . 18863 7 >> 177 1 . 1 . . 1.642 . 1 1 1 69 LEU HG . . . . . . 695 . 18863 7 >> 177 2 . 1 . . 28.640 . 1 1 1 69 LEU CG . . . . . . 696 . 18863 7 >> 178 1 . 1 . . 0.848 . 1 1 1 69 LEU MD1 . . . . . . 697 . 18863 7 >> 178 2 . 1 . . 25.734 . 1 1 1 69 LEU CD1 . . . . . . 698 . 18863 7 >> 179 1 . 1 . . 0.809 . 1 1 1 69 LEU MD2 . . . . . . 699 . 18863 7 >> 179 2 . 1 . . 25.685 . 1 1 1 69 LEU CD2 . . . . . . 700 . 18863 7 >> 180 1 . 1 . . 1.590 . 1 1 1 70 LEU HB2 . . . . . . 701 . 18863 7 >> 180 2 . 1 . . 43.173 . 1 1 1 70 LEU CB . . . . . . 592 . 18863 7 >> 181 1 . 1 . . 1.554 . 1 1 1 70 LEU HB3 . . . . . . 702 . 18863 7 >> 181 2 . 1 . . 43.148 . 1 1 1 70 LEU CB . . . . . . 592 . 18863 7 >> 182 1 . 1 . . 4.015 . 1 1 1 71 LEU HA . . . . . . 703 . 18863 7 >> 182 2 . 1 . . 59.504 . 1 1 1 71 LEU CA . . . . . . 589 . 18863 7 >> 183 1 . 1 . . 1.801 . 1 1 1 71 LEU HB2 . . . . . . 704 . 18863 7 >> 183 2 . 1 . . 43.264 . 1 1 1 71 LEU CB . . . . . . 591 . 18863 7 >> 184 1 . 1 . . 1.652 . 1 1 1 71 LEU HB3 . . . . . . 705 . 18863 7 >> 184 2 . 1 . . 43.188 . 1 1 1 71 LEU CB . . . . . . 591 . 18863 7 >> 185 1 . 1 . . 3.964 . 1 1 1 72 LEU HA . . . . . . 706 . 18863 7 >> 185 2 . 1 . . 59.485 . 1 1 1 72 LEU CA . . . . . . 588 . 18863 7 >> 186 1 . 1 . . 1.711 . 1 1 1 72 LEU HB2 . . . . . . 707 . 18863 7 >> 186 2 . 1 . . 43.479 . 1 1 1 72 LEU CB . . . . . . 590 . 18863 7 >> 187 1 . 1 . . 1.677 . 1 1 1 72 LEU HB3 . . . . . . 708 . 18863 7 >> 187 2 . 1 . . 43.479 . 1 1 1 72 LEU CB . . . . . . 590 . 18863 7 >> 188 1 . 1 . . 4.000 . 1 1 1 73 LEU HA . . . . . . 709 . 18863 7 >> 188 2 . 1 . . 59.384 . 1 1 1 73 LEU CA . . . . . . 586 . 18863 7 >> 189 1 . 1 . . 1.857 . 1 1 1 73 LEU HB2 . . . . . . 710 . 18863 7 >> 189 2 . 1 . . 43.505 . 1 1 1 73 LEU CB . . . . . . 587 . 18863 7 >> 190 1 . 1 . . 1.841 . 1 1 1 73 LEU HB3 . . . . . . 711 . 18863 7 >> 190 2 . 1 . . 43.479 . 1 1 1 73 LEU CB . . . . . . 587 . 18863 7 >> 191 1 . 1 . . 4.064 . 1 1 1 74 LEU HA . . . . . . 712 . 18863 7 >> 191 2 . 1 . . 58.111 . 1 1 1 74 LEU CA . . . . . . 234 . 18863 7 >> 192 1 . 1 . . 1.831 . 1 1 1 74 LEU HB2 . . . . . . 713 . 18863 7 >> 192 2 . 1 . . 43.779 . 1 1 1 74 LEU CB . . . . . . 593 . 18863 7 >> 193 1 . 1 . . 1.442 . 1 1 1 74 LEU HB3 . . . . . . 714 . 18863 7 >> 193 2 . 1 . . 43.741 . 1 1 1 74 LEU CB . . . . . . 593 . 18863 7 >> 194 1 . 1 . . 1.815 . 1 1 1 74 LEU HG . . . . . . 715 . 18863 7 >> 194 2 . 1 . . 28.406 . 1 1 1 74 LEU CG . . . . . . 716 . 18863 7 >> 195 1 . 1 . . 0.803 . 1 1 1 74 LEU MD1 . . . . . . 717 . 18863 7 >> 195 2 . 1 . . 26.531 . 1 1 1 74 LEU CD1 . . . . . . 718 . 18863 7 >> 196 1 . 1 . . 0.785 . 1 1 1 74 LEU MD2 . . . . . . 719 . 18863 7 >> 196 2 . 1 . . 24.212 . 1 1 1 74 LEU CD2 . . . . . . 720 . 18863 7 >> 197 1 . 1 . . 2.982 . 1 1 1 81 TYR HB2 . . . . . . 721 . 18863 7 >> 197 2 . 1 . . 39.893 . 1 1 1 81 TYR CB . . . . . . 465 . 18863 7 >> 198 1 . 1 . . 0.920 . 1 1 1 38 ILE MG . . . . . . 398 . 18863 7 >> 198 2 . 1 . . 18.627 . 1 1 1 38 ILE CG2 . . . . . . 399 . 18863 7 >> 199 1 . 1 . . 0.809 . 1 1 1 51 ILE MG . . . . . . 728 . 18863 7 >> 199 2 . 1 . . 18.737 . 1 1 1 51 ILE CG2 . . . . . . 729 . 18863 7 >> 200 1 . 1 . . 3.991 . 1 1 1 31 SER HB2 . . . . . . 278 . 18863 7 >> 200 2 . 1 . . 64.723 . 1 1 1 31 SER CB . . . . . . 279 . 18863 7 >> 201 1 . 1 . . 3.045 . 1 1 1 44 PHE HB2 . . . . . . 742 . 18863 7 >> 201 2 . 1 . . 39.376 . 1 1 1 44 PHE CB . . . . . . 322 . 18863 7 >> 202 1 . 1 . . 3.031 . 1 1 1 44 PHE HB3 . . . . . . 743 . 18863 7 >> 202 2 . 1 . . 39.415 . 1 1 1 44 PHE CB . . . . . . 322 . 18863 7 >> 203 1 . 1 . . 4.391 . 1 1 1 45 PHE HA . . . . . . 493 . 18863 7 >> 203 2 . 1 . . 57.726 . 1 1 1 45 PHE CA . . . . . . 215 . 18863 7 >> 204 1 . 1 . . 3.084 . 1 1 1 45 PHE HB2 . . . . . . 744 . 18863 7 >> 204 2 . 1 . . 38.704 . 1 1 1 45 PHE CB . . . . . . 494 . 18863 7 >> 205 1 . 1 . . 2.733 . 1 1 1 45 PHE HB3 . . . . . . 745 . 18863 7 >> 205 2 . 1 . . 38.704 . 1 1 1 45 PHE CB . . . . . . 494 . 18863 7 >> 206 1 . 1 . . 1.759 . 1 1 1 76 LEU HB2 . . . . . . 746 . 18863 7 >> 206 2 . 1 . . 43.266 . 1 1 1 76 LEU CB . . . . . . 747 . 18863 7 >> 207 1 . 1 . . 1.461 . 1 1 1 76 LEU HB3 . . . . . . 748 . 18863 7 >> 207 2 . 1 . . 43.305 . 1 1 1 76 LEU CB . . . . . . 747 . 18863 7 >> 208 1 . 1 . . 4.287 . 1 1 1 78 PRO HA . . . . . . 751 . 18863 7 >> 208 2 . 1 . . 66.774 . 1 1 1 78 PRO CA . . . . . . 752 . 18863 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 '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 $methanol_H _Sample_conditions_label $methanol_25c _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 18863 >> _Spectral_peak_list.ID 8 >> _Spectral_peak_list.Sample_ID 3 >> _Spectral_peak_list.Sample_label $methanol_H >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $methanol_25c >> _Spectral_peak_list.Experiment_ID 15 >> _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 . 3210.571 . . . 18863 8 >> 2 H 1 1H . 8250.825 . . . 18863 8 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 18863 8 >> 2 1.0 . 18863 8 >> 3 1.0 . 18863 8 >> 4 1.0 . 18863 8 >> 5 1.0 . 18863 8 >> 6 1.0 . 18863 8 >> 7 1.0 . 18863 8 >> 8 1.0 . 18863 8 >> 9 1.0 . 18863 8 >> 10 1.0 . 18863 8 >> 11 1.0 . 18863 8 >> 12 1.0 . 18863 8 >> 13 1.0 . 18863 8 >> 14 1.0 . 18863 8 >> 15 1.0 . 18863 8 >> 16 1.0 . 18863 8 >> 17 1.0 . 18863 8 >> 18 1.0 . 18863 8 >> 19 1.0 . 18863 8 >> 20 1.0 . 18863 8 >> 21 1.0 . 18863 8 >> 22 1.0 . 18863 8 >> 23 1.0 . 18863 8 >> 24 1.0 . 18863 8 >> 25 1.0 . 18863 8 >> 26 1.0 . 18863 8 >> 27 1.0 . 18863 8 >> 28 1.0 . 18863 8 >> 29 1.0 . 18863 8 >> 30 1.0 . 18863 8 >> 31 1.0 . 18863 8 >> 32 1.0 . 18863 8 >> 33 1.0 . 18863 8 >> 34 1.0 . 18863 8 >> 35 1.0 . 18863 8 >> 36 1.0 . 18863 8 >> 37 1.0 . 18863 8 >> 38 1.0 . 18863 8 >> 39 1.0 . 18863 8 >> 40 1.0 . 18863 8 >> 41 1.0 . 18863 8 >> 42 1.0 . 18863 8 >> 43 1.0 . 18863 8 >> 44 1.0 . 18863 8 >> 45 1.0 . 18863 8 >> 46 1.0 . 18863 8 >> 47 1.0 . 18863 8 >> 48 1.0 . 18863 8 >> 49 1.0 . 18863 8 >> 50 1.0 . 18863 8 >> 51 1.0 . 18863 8 >> 52 1.0 . 18863 8 >> 53 1.0 . 18863 8 >> 54 1.0 . 18863 8 >> 55 1.0 . 18863 8 >> 56 1.0 . 18863 8 >> 57 1.0 . 18863 8 >> 58 1.0 . 18863 8 >> 59 1.0 . 18863 8 >> 60 1.0 . 18863 8 >> 61 1.0 . 18863 8 >> 62 1.0 . 18863 8 >> 63 1.0 . 18863 8 >> 64 1.0 . 18863 8 >> 65 1.0 . 18863 8 >> 66 1.0 . 18863 8 >> 67 1.0 . 18863 8 >> 68 1.0 . 18863 8 >> 69 1.0 . 18863 8 >> 70 1.0 . 18863 8 >> 71 1.0 . 18863 8 >> 72 1.0 . 18863 8 >> 73 1.0 . 18863 8 >> 74 1.0 . 18863 8 >> 75 1.0 . 18863 8 >> 76 1.0 . 18863 8 >> 77 1.0 . 18863 8 >> 78 1.0 . 18863 8 >> 79 1.0 . 18863 8 >> 80 1.0 . 18863 8 >> 81 1.0 . 18863 8 >> 82 1.0 . 18863 8 >> 83 1.0 . 18863 8 >> 84 1.0 . 18863 8 >> 85 1.0 . 18863 8 >> 86 1.0 . 18863 8 >> 87 1.0 . 18863 8 >> 88 1.0 . 18863 8 >> 89 1.0 . 18863 8 >> 90 1.0 . 18863 8 >> 91 1.0 . 18863 8 >> 92 1.0 . 18863 8 >> 93 1.0 . 18863 8 >> 94 1.0 . 18863 8 >> 95 1.0 . 18863 8 >> 96 1.0 . 18863 8 >> 97 1.0 . 18863 8 >> 98 1.0 . 18863 8 >> 99 1.0 . 18863 8 >> 100 1.0 . 18863 8 >> 101 1.0 . 18863 8 >> 102 1.0 . 18863 8 >> 103 1.0 . 18863 8 >> 104 1.0 . 18863 8 >> 105 1.0 . 18863 8 >> 106 1.0 . 18863 8 >> 107 1.0 . 18863 8 >> 108 1.0 . 18863 8 >> 109 1.0 . 18863 8 >> 110 1.0 . 18863 8 >> 111 1.0 . 18863 8 >> 112 1.0 . 18863 8 >> 113 1.0 . 18863 8 >> 114 1.0 . 18863 8 >> 115 1.0 . 18863 8 >> 116 1.0 . 18863 8 >> 117 1.0 . 18863 8 >> 118 1.0 . 18863 8 >> 119 1.0 . 18863 8 >> 120 1.0 . 18863 8 >> 121 1.0 . 18863 8 >> 122 1.0 . 18863 8 >> 123 1.0 . 18863 8 >> 124 1.0 . 18863 8 >> 125 1.0 . 18863 8 >> 126 1.0 . 18863 8 >> 127 1.0 . 18863 8 >> 128 1.0 . 18863 8 >> 129 1.0 . 18863 8 >> 130 1.0 . 18863 8 >> 131 1.0 . 18863 8 >> 132 1.0 . 18863 8 >> 133 1.0 . 18863 8 >> 134 1.0 . 18863 8 >> 135 1.0 . 18863 8 >> 136 1.0 . 18863 8 >> 137 1.0 . 18863 8 >> 138 1.0 . 18863 8 >> 139 1.0 . 18863 8 >> 140 1.0 . 18863 8 >> 141 1.0 . 18863 8 >> 142 1.0 . 18863 8 >> 143 1.0 . 18863 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 4356881.5000 . height 18863 8 >> 1 34134530.5000 . volume 18863 8 >> 2 2292102.2500 . height 18863 8 >> 2 13063326.0547 . volume 18863 8 >> 3 7753193.0000 . height 18863 8 >> 3 50018933.0000 . volume 18863 8 >> 4 13270291.0000 . height 18863 8 >> 4 94495318.0000 . volume 18863 8 >> 5 12431082.0000 . height 18863 8 >> 5 92431995.0000 . volume 18863 8 >> 6 5667473.0000 . height 18863 8 >> 6 47515680.5000 . volume 18863 8 >> 7 8054366.0000 . height 18863 8 >> 7 60793506.5000 . volume 18863 8 >> 8 9187022.0000 . height 18863 8 >> 8 68410139.0000 . volume 18863 8 >> 9 6111700.0000 . height 18863 8 >> 9 47045994.0000 . volume 18863 8 >> 10 3830489.2500 . height 18863 8 >> 10 29680121.7500 . volume 18863 8 >> 11 22832394.0000 . height 18863 8 >> 11 181072582.0000 . volume 18863 8 >> 12 4261332.0000 . height 18863 8 >> 12 31636684.2500 . volume 18863 8 >> 13 6743682.5000 . height 18863 8 >> 13 52607786.5000 . volume 18863 8 >> 14 4311731.0000 . height 18863 8 >> 14 29944981.0000 . volume 18863 8 >> 15 4387904.5000 . height 18863 8 >> 15 31453805.5000 . volume 18863 8 >> 16 3577795.0000 . height 18863 8 >> 16 23505844.6250 . volume 18863 8 >> 17 2920210.0000 . height 18863 8 >> 17 17697494.1250 . volume 18863 8 >> 18 5175378.0000 . height 18863 8 >> 18 39621448.2500 . volume 18863 8 >> 19 6997123.5000 . height 18863 8 >> 19 44760572.5000 . volume 18863 8 >> 20 8119389.5000 . height 18863 8 >> 20 66224341.5000 . volume 18863 8 >> 21 4247664.5000 . height 18863 8 >> 21 34797460.0000 . volume 18863 8 >> 22 2226632.0000 . height 18863 8 >> 22 15779941.0000 . volume 18863 8 >> 23 2028335.8750 . height 18863 8 >> 23 12359019.8125 . volume 18863 8 >> 24 5806566.0000 . height 18863 8 >> 24 40111015.7500 . volume 18863 8 >> 25 6667117.5000 . height 18863 8 >> 25 43371773.0000 . volume 18863 8 >> 26 9253503.0000 . height 18863 8 >> 26 72380255.5000 . volume 18863 8 >> 27 7281559.5000 . height 18863 8 >> 27 57235638.0000 . volume 18863 8 >> 28 11900953.0000 . height 18863 8 >> 28 85133853.0000 . volume 18863 8 >> 29 6160317.5000 . height 18863 8 >> 29 48356030.5000 . volume 18863 8 >> 30 3954617.2500 . height 18863 8 >> 30 31241772.5000 . volume 18863 8 >> 31 2312651.2500 . height 18863 8 >> 31 18001942.1250 . volume 18863 8 >> 32 3022813.2500 . height 18863 8 >> 32 24686360.5000 . volume 18863 8 >> 33 2591741.7500 . height 18863 8 >> 33 21295878.3750 . volume 18863 8 >> 34 14688561.0000 . height 18863 8 >> 34 109021500.0000 . volume 18863 8 >> 35 10357873.0000 . height 18863 8 >> 35 87534369.0000 . volume 18863 8 >> 36 2730030.5000 . height 18863 8 >> 36 22635038.5000 . volume 18863 8 >> 37 3923249.7500 . height 18863 8 >> 37 29738992.7500 . volume 18863 8 >> 38 3696820.2500 . height 18863 8 >> 38 28412335.0000 . volume 18863 8 >> 39 4878752.0000 . height 18863 8 >> 39 34555922.3750 . volume 18863 8 >> 40 5352516.0000 . height 18863 8 >> 40 34935103.7500 . volume 18863 8 >> 41 2935609.2500 . height 18863 8 >> 41 17966227.2500 . volume 18863 8 >> 42 4143395.2500 . height 18863 8 >> 42 26352935.7500 . volume 18863 8 >> 43 2536889.5000 . height 18863 8 >> 43 16268636.7500 . volume 18863 8 >> 44 3504950.0000 . height 18863 8 >> 44 24041432.5000 . volume 18863 8 >> 45 3271799.2500 . height 18863 8 >> 45 23526841.5000 . volume 18863 8 >> 46 2898273.2500 . height 18863 8 >> 46 17974315.6250 . volume 18863 8 >> 47 2520719.7500 . height 18863 8 >> 47 15983685.5000 . volume 18863 8 >> 48 3020150.2500 . height 18863 8 >> 48 18562283.5000 . volume 18863 8 >> 49 2173012.7500 . height 18863 8 >> 49 14157370.1875 . volume 18863 8 >> 50 3067195.2500 . height 18863 8 >> 50 18540811.6250 . volume 18863 8 >> 51 1889996.2500 . height 18863 8 >> 51 11180434.8125 . volume 18863 8 >> 52 13732216.0000 . height 18863 8 >> 52 88766846.5000 . volume 18863 8 >> 53 6198845.0000 . height 18863 8 >> 53 48371735.7500 . volume 18863 8 >> 54 3841778.7500 . height 18863 8 >> 54 26352890.7500 . volume 18863 8 >> 55 18407150.0000 . height 18863 8 >> 55 136589657.0000 . volume 18863 8 >> 56 6660755.0000 . height 18863 8 >> 56 53837337.0000 . volume 18863 8 >> 57 18690644.0000 . height 18863 8 >> 57 117795224.0000 . volume 18863 8 >> 58 7323679.0000 . height 18863 8 >> 58 54219313.5000 . volume 18863 8 >> 59 7393713.5000 . height 18863 8 >> 59 54373231.5000 . volume 18863 8 >> 60 3035295.0000 . height 18863 8 >> 60 22212547.3750 . volume 18863 8 >> 61 13122214.0000 . height 18863 8 >> 61 97793458.0000 . volume 18863 8 >> 62 11330101.0000 . height 18863 8 >> 62 90140647.0000 . volume 18863 8 >> 63 14237410.0000 . height 18863 8 >> 63 102127234.0000 . volume 18863 8 >> 64 25741228.0000 . height 18863 8 >> 64 191711062.0000 . volume 18863 8 >> 65 20228514.0000 . height 18863 8 >> 65 168716768.0000 . volume 18863 8 >> 66 26396928.0000 . height 18863 8 >> 66 227467212.0000 . volume 18863 8 >> 67 6420938.5000 . height 18863 8 >> 67 49329803.5000 . volume 18863 8 >> 68 4184426.7500 . height 18863 8 >> 68 29744595.0000 . volume 18863 8 >> 69 7086534.5000 . height 18863 8 >> 69 46309378.3750 . volume 18863 8 >> 70 4518041.0000 . height 18863 8 >> 70 30926527.0000 . volume 18863 8 >> 71 2888137.5000 . height 18863 8 >> 71 21221151.1250 . volume 18863 8 >> 72 5334183.5000 . height 18863 8 >> 72 40116217.2500 . volume 18863 8 >> 73 4599917.5000 . height 18863 8 >> 73 32747428.0000 . volume 18863 8 >> 74 3636095.2500 . height 18863 8 >> 74 28805066.0000 . volume 18863 8 >> 75 2426183.2500 . height 18863 8 >> 75 20157871.0000 . volume 18863 8 >> 76 2880945.7500 . height 18863 8 >> 76 19411146.3750 . volume 18863 8 >> 77 3458923.7500 . height 18863 8 >> 77 24127475.8750 . volume 18863 8 >> 78 2788309.5000 . height 18863 8 >> 78 20538180.3750 . volume 18863 8 >> 79 9408224.0000 . height 18863 8 >> 79 63276562.5000 . volume 18863 8 >> 80 14160093.0000 . height 18863 8 >> 80 109268121.0000 . volume 18863 8 >> 81 4854547.5000 . height 18863 8 >> 81 40442199.5000 . volume 18863 8 >> 82 12081926.0000 . height 18863 8 >> 82 89236216.0000 . volume 18863 8 >> 83 2804410.0000 . height 18863 8 >> 83 20951271.1250 . volume 18863 8 >> 84 3613171.7500 . height 18863 8 >> 84 24924127.8750 . volume 18863 8 >> 85 2334847.0000 . height 18863 8 >> 85 17829054.0000 . volume 18863 8 >> 86 2618923.7500 . height 18863 8 >> 86 19878091.7500 . volume 18863 8 >> 87 11011899.0000 . height 18863 8 >> 87 77943849.0000 . volume 18863 8 >> 88 3575502.2500 . height 18863 8 >> 88 29137934.2500 . volume 18863 8 >> 89 5261611.5000 . height 18863 8 >> 89 36627623.2500 . volume 18863 8 >> 90 3427115.7500 . height 18863 8 >> 90 24368773.5000 . volume 18863 8 >> 91 2077025.0000 . height 18863 8 >> 91 13660720.3750 . volume 18863 8 >> 92 2872650.0000 . height 18863 8 >> 92 20151518.1250 . volume 18863 8 >> 93 3922597.7500 . height 18863 8 >> 93 31591487.7500 . volume 18863 8 >> 94 3736870.0000 . height 18863 8 >> 94 25703544.2500 . volume 18863 8 >> 95 1883562.8750 . height 18863 8 >> 95 12796160.7500 . volume 18863 8 >> 96 5851047.5000 . height 18863 8 >> 96 38635021.5000 . volume 18863 8 >> 97 3637888.7500 . height 18863 8 >> 97 27333536.0000 . volume 18863 8 >> 98 5437822.5000 . height 18863 8 >> 98 39147606.2500 . volume 18863 8 >> 99 2353808.2500 . height 18863 8 >> 99 18900471.0000 . volume 18863 8 >> 100 2586441.2500 . height 18863 8 >> 100 18417067.3750 . volume 18863 8 >> 101 12446596.0000 . height 18863 8 >> 101 91013924.5000 . volume 18863 8 >> 102 2181986.5000 . height 18863 8 >> 102 18557940.8750 . volume 18863 8 >> 103 4427950.5000 . height 18863 8 >> 103 35551198.2500 . volume 18863 8 >> 104 10306135.0000 . height 18863 8 >> 104 71075646.5000 . volume 18863 8 >> 105 8130172.5000 . height 18863 8 >> 105 55821504.0000 . volume 18863 8 >> 106 1564793.1250 . height 18863 8 >> 106 11855624.8750 . volume 18863 8 >> 107 2117924.7500 . height 18863 8 >> 107 15583963.1250 . volume 18863 8 >> 108 2082166.8750 . height 18863 8 >> 108 15404170.1250 . volume 18863 8 >> 109 3653869.7500 . height 18863 8 >> 109 27294029.2500 . volume 18863 8 >> 110 2934346.5000 . height 18863 8 >> 110 23378557.7500 . volume 18863 8 >> 111 3573468.7500 . height 18863 8 >> 111 25728118.2500 . volume 18863 8 >> 112 2593216.0000 . height 18863 8 >> 112 17520024.1250 . volume 18863 8 >> 113 2519900.5000 . height 18863 8 >> 113 19813577.2500 . volume 18863 8 >> 114 2265517.5000 . height 18863 8 >> 114 11939085.9375 . volume 18863 8 >> 115 3422098.2500 . height 18863 8 >> 115 23225317.8750 . volume 18863 8 >> 116 27145786.0000 . height 18863 8 >> 116 171544729.0000 . volume 18863 8 >> 117 4076855.2500 . height 18863 8 >> 117 32361952.0000 . volume 18863 8 >> 118 4190538.0000 . height 18863 8 >> 118 25524100.3750 . volume 18863 8 >> 119 4053278.5000 . height 18863 8 >> 119 25975183.5000 . volume 18863 8 >> 120 2451959.5000 . height 18863 8 >> 120 16901249.3750 . volume 18863 8 >> 121 9735069.0000 . height 18863 8 >> 121 80028454.5000 . volume 18863 8 >> 122 6525361.0000 . height 18863 8 >> 122 54970420.0000 . volume 18863 8 >> 123 4126784.2500 . height 18863 8 >> 123 33539458.5000 . volume 18863 8 >> 124 3823324.7500 . height 18863 8 >> 124 31107637.5000 . volume 18863 8 >> 125 5572895.0000 . height 18863 8 >> 125 43322073.2500 . volume 18863 8 >> 126 5341053.5000 . height 18863 8 >> 126 39556970.2500 . volume 18863 8 >> 127 3547831.0000 . height 18863 8 >> 127 25414309.0000 . volume 18863 8 >> 128 2768455.5000 . height 18863 8 >> 128 19448030.6250 . volume 18863 8 >> 129 4057094.2500 . height 18863 8 >> 129 24398401.0000 . volume 18863 8 >> 130 2215574.0000 . height 18863 8 >> 130 18582896.6250 . volume 18863 8 >> 131 2504482.5000 . height 18863 8 >> 131 18277688.8750 . volume 18863 8 >> 132 2863847.2500 . height 18863 8 >> 132 21251133.5000 . volume 18863 8 >> 133 3791126.5000 . height 18863 8 >> 133 26427093.0000 . volume 18863 8 >> 134 3715820.7500 . height 18863 8 >> 134 32038229.7500 . volume 18863 8 >> 135 2296878.0000 . height 18863 8 >> 135 15535790.5000 . volume 18863 8 >> 136 1807183.0000 . height 18863 8 >> 136 12265456.6875 . volume 18863 8 >> 137 1725664.6250 . height 18863 8 >> 137 14055864.2500 . volume 18863 8 >> 138 4686517.0000 . height 18863 8 >> 138 32485248.0000 . volume 18863 8 >> 139 4541724.0000 . height 18863 8 >> 139 29101298.3750 . volume 18863 8 >> 140 1771048.5000 . height 18863 8 >> 140 10523687.3281 . volume 18863 8 >> 141 3310528.2500 . height 18863 8 >> 141 21202926.1875 . volume 18863 8 >> 142 3315536.2500 . height 18863 8 >> 142 26462925.2500 . volume 18863 8 >> 143 2117090.5000 . height 18863 8 >> 143 15623284.0000 . volume 18863 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 7.356 . . . . . . . . . . . . 8 18863 8 >> 1 2 4.496 . . . . . . . . . . . . 8 18863 8 >> 2 1 7.041 . . . . . . . . . . . . 8 18863 8 >> 2 2 4.497 . . . . . . . . . . . . 8 18863 8 >> 12 1 6.898 . . . . . . . . . . . . 8 18863 8 >> 12 2 4.171 . . . . . . . . . . . . 8 18863 8 >> 29 1 7.123 . . . . . . . . . . . . 8 18863 8 >> 29 2 3.774 . . . . . . . . . . . . 8 18863 8 >> 36 1 6.911 . . . . . . . . . . . . 8 18863 8 >> 36 2 4.006 . . . . . . . . . . . . 8 18863 8 >> 40 1 6.610 . . . . . . . . . . . . 8 18863 8 >> 40 2 3.957 . . . . . . . . . . . . 8 18863 8 >> 53 1 7.357 . . . . . . . . . . . . 8 18863 8 >> 53 2 3.210 . . . . . . . . . . . . 8 18863 8 >> 68 1 6.898 . . . . . . . . . . . . 8 18863 8 >> 68 2 2.854 . . . . . . . . . . . . 8 18863 8 >> 69 1 6.610 . . . . . . . . . . . . 8 18863 8 >> 69 2 3.169 . . . . . . . . . . . . 8 18863 8 >> 72 1 6.565 . . . . . . . . . . . . 8 18863 8 >> 72 2 3.036 . . . . . . . . . . . . 8 18863 8 >> 79 1 6.609 . . . . . . . . . . . . 8 18863 8 >> 79 2 2.867 . . . . . . . . . . . . 8 18863 8 >> 80 1 6.795 . . . . . . . . . . . . 8 18863 8 >> 80 2 2.821 . . . . . . . . . . . . 8 18863 8 >> 85 1 7.027 . . . . . . . . . . . . 8 18863 8 >> 85 2 2.757 . . . . . . . . . . . . 8 18863 8 >> 87 1 7.113 . . . . . . . . . . . . 8 18863 8 >> 87 2 2.755 . . . . . . . . . . . . 8 18863 8 >> 106 1 6.799 . . . . . . . . . . . . 8 18863 8 >> 106 2 1.258 . . . . . . . . . . . . 8 18863 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 . . 7.356 . 1 1 1 67 TRP HE3 . . . . . . 470 . 18863 8 >> 1 2 . 1 . . 4.496 . 1 1 1 67 TRP HA . . . . . . 362 . 18863 8 >> 2 1 . 1 . . 7.041 . 1 1 1 67 TRP HD1 . . . . . . 483 . 18863 8 >> 2 2 . 1 . . 4.497 . 1 1 1 67 TRP HA . . . . . . 362 . 18863 8 >> 12 1 . 1 . . 6.898 . 1 1 1 81 TYR QD . . . . . . 722 . 18863 8 >> 12 2 . 1 . . 4.171 . 1 1 1 81 TYR HA . . . . . . 378 . 18863 8 >> 29 1 . 1 . . 7.123 . 1 1 1 41 PHE QD . . . . . . 625 . 18863 8 >> 29 1 . 2 . . 7.123 . 1 1 1 45 PHE QD . . . . . . 755 . 18863 8 >> 29 2 . 1 . . 3.774 . 1 1 1 58 GLY HA3 . . . . . . 430 . 18863 8 >> 29 2 . 2 . . 3.774 . 1 1 1 40 SER HA . . . . . . 311 . 18863 8 >> 36 1 . 1 . . 6.911 . 1 1 1 63 PHE HZ . . . . . . 674 . 18863 8 >> 36 2 . 1 . . 4.006 . 1 1 1 31 SER HB2 . . . . . . 278 . 18863 8 >> 36 2 . 2 . . 4.006 . 1 1 1 59 ALA HA . . . . . . 342 . 18863 8 >> 40 1 . 1 . . 6.610 . 1 1 1 49 TRP HD1 . . . . . . 481 . 18863 8 >> 40 2 . 1 . . 3.957 . 1 1 1 49 TRP HA . . . . . . 324 . 18863 8 >> 40 2 . 2 . . 3.957 . 1 1 1 48 ALA HA . . . . . . 411 . 18863 8 >> 40 2 . 3 . . 3.957 . 1 1 1 52 LYS HA . . . . . . 330 . 18863 8 >> 40 2 . 4 . . 3.957 . 1 1 1 50 TYR HA . . . . . . 326 . 18863 8 >> 53 1 . 1 . . 7.357 . 1 1 1 67 TRP HE3 . . . . . . 470 . 18863 8 >> 53 2 . 1 . . 3.210 . 1 1 1 67 TRP HB3 . . . . . . 686 . 18863 8 >> 53 2 . 2 . . 3.210 . 1 1 1 67 TRP HB2 . . . . . . 364 . 18863 8 >> 68 1 . 1 . . 6.898 . 1 1 1 49 TRP HZ3 . . . . . . 738 . 18863 8 >> 68 2 . 1 . . 2.854 . 1 1 1 49 TRP HB3 . . . . . . 416 . 18863 8 >> 69 1 . 1 . . 6.610 . 1 1 1 49 TRP HD1 . . . . . . 481 . 18863 8 >> 69 2 . 1 . . 3.169 . 1 1 1 49 TRP HB2 . . . . . . 414 . 18863 8 >> 72 1 . 1 . . 6.565 . 1 1 1 61 TYR QE . . . . . . 667 . 18863 8 >> 72 2 . 1 . . 3.036 . 1 1 1 61 TYR HB2 . . . . . . 664 . 18863 8 >> 79 1 . 1 . . 6.609 . 1 1 1 49 TRP HD1 . . . . . . 481 . 18863 8 >> 79 2 . 1 . . 2.867 . 1 1 1 49 TRP HB3 . . . . . . 416 . 18863 8 >> 80 1 . 1 . . 6.795 . 1 1 1 63 PHE QD . . . . . . 670 . 18863 8 >> 80 2 . 1 . . 2.821 . 1 1 1 63 PHE HB3 . . . . . . 669 . 18863 8 >> 80 2 . 2 . . 2.821 . 1 1 1 63 PHE HB2 . . . . . . 437 . 18863 8 >> 85 1 . 1 . . 7.027 . 1 1 1 45 PHE QE . . . . . . 756 . 18863 8 >> 85 2 . 1 . . 2.757 . 1 1 1 45 PHE HB3 . . . . . . 745 . 18863 8 >> 87 1 . 1 . . 7.113 . 1 1 1 45 PHE QD . . . . . . 755 . 18863 8 >> 87 2 . 1 . . 2.755 . 1 1 1 45 PHE HB3 . . . . . . 745 . 18863 8 >> 106 1 . 1 . . 6.799 . 1 1 1 63 PHE QD . . . . . . 670 . 18863 8 >> 106 2 . 1 . . 1.258 . 1 1 1 62 ALA MB . . . . . . 435 . 18863 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 NOESY' _Number_of_spectral_dimensions 2 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 H 1H stop_ _Sample_label $methanol_H _Sample_conditions_label $methanol_25c _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 18863 >> _Spectral_peak_list.ID 9 >> _Spectral_peak_list.Sample_ID 3 >> _Spectral_peak_list.Sample_label $methanol_H >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $methanol_25c >> _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 . 4068.604 . . . 18863 9 >> 2 H 1 1H . 8250.825 . . . 18863 9 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 18863 9 >> 2 1.0 . 18863 9 >> 3 1.0 . 18863 9 >> 4 1.0 . 18863 9 >> 5 1.0 . 18863 9 >> 6 1.0 . 18863 9 >> 7 1.0 . 18863 9 >> 8 1.0 . 18863 9 >> 9 1.0 . 18863 9 >> 10 1.0 . 18863 9 >> 11 1.0 . 18863 9 >> 12 1.0 . 18863 9 >> 13 1.0 . 18863 9 >> 14 1.0 . 18863 9 >> 15 1.0 . 18863 9 >> 16 1.0 . 18863 9 >> 17 1.0 . 18863 9 >> 18 1.0 . 18863 9 >> 19 1.0 . 18863 9 >> 20 1.0 . 18863 9 >> 21 1.0 . 18863 9 >> 22 1.0 . 18863 9 >> 23 1.0 . 18863 9 >> 24 1.0 . 18863 9 >> 25 1.0 . 18863 9 >> 26 1.0 . 18863 9 >> 27 1.0 . 18863 9 >> 28 1.0 . 18863 9 >> 29 1.0 . 18863 9 >> 30 1.0 . 18863 9 >> 31 1.0 . 18863 9 >> 32 1.0 . 18863 9 >> 33 1.0 . 18863 9 >> 34 1.0 . 18863 9 >> 35 1.0 . 18863 9 >> 36 1.0 . 18863 9 >> 37 1.0 . 18863 9 >> 38 1.0 . 18863 9 >> 39 1.0 . 18863 9 >> 40 1.0 . 18863 9 >> 41 1.0 . 18863 9 >> 42 1.0 . 18863 9 >> 43 1.0 . 18863 9 >> 44 1.0 . 18863 9 >> 45 1.0 . 18863 9 >> 46 1.0 . 18863 9 >> 47 1.0 . 18863 9 >> 48 1.0 . 18863 9 >> 49 1.0 . 18863 9 >> 50 1.0 . 18863 9 >> 51 1.0 . 18863 9 >> 52 1.0 . 18863 9 >> 53 1.0 . 18863 9 >> 54 1.0 . 18863 9 >> 55 1.0 . 18863 9 >> 56 1.0 . 18863 9 >> 57 1.0 . 18863 9 >> 58 1.0 . 18863 9 >> 59 1.0 . 18863 9 >> 60 1.0 . 18863 9 >> 61 1.0 . 18863 9 >> 62 1.0 . 18863 9 >> 63 1.0 . 18863 9 >> 64 1.0 . 18863 9 >> 65 1.0 . 18863 9 >> 66 1.0 . 18863 9 >> 67 1.0 . 18863 9 >> 68 1.0 . 18863 9 >> 69 1.0 . 18863 9 >> 70 1.0 . 18863 9 >> 71 1.0 . 18863 9 >> 72 1.0 . 18863 9 >> 73 1.0 . 18863 9 >> 74 1.0 . 18863 9 >> 75 1.0 . 18863 9 >> 76 1.0 . 18863 9 >> 77 1.0 . 18863 9 >> 78 1.0 . 18863 9 >> 79 1.0 . 18863 9 >> 80 1.0 . 18863 9 >> 81 1.0 . 18863 9 >> 82 1.0 . 18863 9 >> 83 1.0 . 18863 9 >> 84 1.0 . 18863 9 >> 85 1.0 . 18863 9 >> 86 1.0 . 18863 9 >> 87 1.0 . 18863 9 >> 88 1.0 . 18863 9 >> 89 1.0 . 18863 9 >> 90 1.0 . 18863 9 >> 91 1.0 . 18863 9 >> 92 1.0 . 18863 9 >> 93 1.0 . 18863 9 >> 94 1.0 . 18863 9 >> 95 1.0 . 18863 9 >> 96 1.0 . 18863 9 >> 97 1.0 . 18863 9 >> 98 1.0 . 18863 9 >> 99 1.0 . 18863 9 >> 100 1.0 . 18863 9 >> 101 1.0 . 18863 9 >> 102 1.0 . 18863 9 >> 103 1.0 . 18863 9 >> 104 1.0 . 18863 9 >> 105 1.0 . 18863 9 >> 106 1.0 . 18863 9 >> 107 1.0 . 18863 9 >> 108 1.0 . 18863 9 >> 109 1.0 . 18863 9 >> 110 1.0 . 18863 9 >> 111 1.0 . 18863 9 >> 112 1.0 . 18863 9 >> 113 1.0 . 18863 9 >> 114 1.0 . 18863 9 >> 115 1.0 . 18863 9 >> 116 1.0 . 18863 9 >> 117 1.0 . 18863 9 >> 118 1.0 . 18863 9 >> 119 1.0 . 18863 9 >> 120 1.0 . 18863 9 >> 121 1.0 . 18863 9 >> 122 1.0 . 18863 9 >> 123 1.0 . 18863 9 >> 124 1.0 . 18863 9 >> 125 1.0 . 18863 9 >> 126 1.0 . 18863 9 >> 127 1.0 . 18863 9 >> 128 1.0 . 18863 9 >> 129 1.0 . 18863 9 >> 130 1.0 . 18863 9 >> 131 1.0 . 18863 9 >> 132 1.0 . 18863 9 >> 133 1.0 . 18863 9 >> 134 1.0 . 18863 9 >> 135 1.0 . 18863 9 >> 136 1.0 . 18863 9 >> 137 1.0 . 18863 9 >> 138 1.0 . 18863 9 >> 139 1.0 . 18863 9 >> 140 1.0 . 18863 9 >> 141 1.0 . 18863 9 >> 142 1.0 . 18863 9 >> 143 1.0 . 18863 9 >> 144 1.0 . 18863 9 >> 145 1.0 . 18863 9 >> 146 1.0 . 18863 9 >> 147 1.0 . 18863 9 >> 148 1.0 . 18863 9 >> 149 1.0 . 18863 9 >> 150 1.0 . 18863 9 >> 151 1.0 . 18863 9 >> 152 1.0 . 18863 9 >> 153 1.0 . 18863 9 >> 154 1.0 . 18863 9 >> 155 1.0 . 18863 9 >> 156 1.0 . 18863 9 >> 157 1.0 . 18863 9 >> 158 1.0 . 18863 9 >> 159 1.0 . 18863 9 >> 160 1.0 . 18863 9 >> 161 1.0 . 18863 9 >> 162 1.0 . 18863 9 >> 163 1.0 . 18863 9 >> 164 1.0 . 18863 9 >> 165 1.0 . 18863 9 >> 166 1.0 . 18863 9 >> 167 1.0 . 18863 9 >> 168 1.0 . 18863 9 >> 169 1.0 . 18863 9 >> 170 1.0 . 18863 9 >> 171 1.0 . 18863 9 >> 172 1.0 . 18863 9 >> 173 1.0 . 18863 9 >> 174 1.0 . 18863 9 >> 175 1.0 . 18863 9 >> 176 1.0 . 18863 9 >> 177 1.0 . 18863 9 >> 178 1.0 . 18863 9 >> 179 1.0 . 18863 9 >> 180 1.0 . 18863 9 >> 181 1.0 . 18863 9 >> 182 1.0 . 18863 9 >> 183 1.0 . 18863 9 >> 184 1.0 . 18863 9 >> 185 1.0 . 18863 9 >> 186 1.0 . 18863 9 >> 187 1.0 . 18863 9 >> 188 1.0 . 18863 9 >> 189 1.0 . 18863 9 >> 190 1.0 . 18863 9 >> 191 1.0 . 18863 9 >> 192 1.0 . 18863 9 >> 193 1.0 . 18863 9 >> 194 1.0 . 18863 9 >> 195 1.0 . 18863 9 >> 196 1.0 . 18863 9 >> 197 1.0 . 18863 9 >> 198 1.0 . 18863 9 >> 199 1.0 . 18863 9 >> 200 1.0 . 18863 9 >> 201 1.0 . 18863 9 >> 202 1.0 . 18863 9 >> 203 1.0 . 18863 9 >> 204 1.0 . 18863 9 >> 205 1.0 . 18863 9 >> 206 1.0 . 18863 9 >> 207 1.0 . 18863 9 >> 208 1.0 . 18863 9 >> 209 1.0 . 18863 9 >> 210 1.0 . 18863 9 >> 211 1.0 . 18863 9 >> 212 1.0 . 18863 9 >> 213 1.0 . 18863 9 >> 214 1.0 . 18863 9 >> 215 1.0 . 18863 9 >> 216 1.0 . 18863 9 >> 217 1.0 . 18863 9 >> 218 1.0 . 18863 9 >> 219 1.0 . 18863 9 >> 220 1.0 . 18863 9 >> 221 1.0 . 18863 9 >> 222 1.0 . 18863 9 >> 223 1.0 . 18863 9 >> 224 1.0 . 18863 9 >> 225 1.0 . 18863 9 >> 226 1.0 . 18863 9 >> 227 1.0 . 18863 9 >> 228 1.0 . 18863 9 >> 229 1.0 . 18863 9 >> 230 1.0 . 18863 9 >> 231 1.0 . 18863 9 >> 232 1.0 . 18863 9 >> 233 1.0 . 18863 9 >> 234 1.0 . 18863 9 >> 235 1.0 . 18863 9 >> 236 1.0 . 18863 9 >> 237 1.0 . 18863 9 >> 238 1.0 . 18863 9 >> 239 1.0 . 18863 9 >> 240 1.0 . 18863 9 >> 241 1.0 . 18863 9 >> 242 1.0 . 18863 9 >> 243 1.0 . 18863 9 >> 244 1.0 . 18863 9 >> 245 1.0 . 18863 9 >> 246 1.0 . 18863 9 >> 247 1.0 . 18863 9 >> 248 1.0 . 18863 9 >> 249 1.0 . 18863 9 >> 250 1.0 . 18863 9 >> 251 1.0 . 18863 9 >> 252 1.0 . 18863 9 >> 253 1.0 . 18863 9 >> 254 1.0 . 18863 9 >> 255 1.0 . 18863 9 >> 256 1.0 . 18863 9 >> 257 1.0 . 18863 9 >> 258 1.0 . 18863 9 >> 259 1.0 . 18863 9 >> 260 1.0 . 18863 9 >> 261 1.0 . 18863 9 >> 262 1.0 . 18863 9 >> 263 1.0 . 18863 9 >> 264 1.0 . 18863 9 >> 265 1.0 . 18863 9 >> 266 1.0 . 18863 9 >> 267 1.0 . 18863 9 >> 268 1.0 . 18863 9 >> 269 1.0 . 18863 9 >> 270 1.0 . 18863 9 >> 271 1.0 . 18863 9 >> 272 1.0 . 18863 9 >> 273 1.0 . 18863 9 >> 274 1.0 . 18863 9 >> 275 1.0 . 18863 9 >> 276 1.0 . 18863 9 >> 277 1.0 . 18863 9 >> 278 1.0 . 18863 9 >> 279 1.0 . 18863 9 >> 280 1.0 . 18863 9 >> 281 1.0 . 18863 9 >> 282 1.0 . 18863 9 >> 283 1.0 . 18863 9 >> 284 1.0 . 18863 9 >> 285 1.0 . 18863 9 >> 286 1.0 . 18863 9 >> 287 1.0 . 18863 9 >> 288 1.0 . 18863 9 >> 289 1.0 . 18863 9 >> 290 1.0 . 18863 9 >> 291 1.0 . 18863 9 >> 292 1.0 . 18863 9 >> 293 1.0 . 18863 9 >> 294 1.0 . 18863 9 >> 295 1.0 . 18863 9 >> 296 1.0 . 18863 9 >> 297 1.0 . 18863 9 >> 298 1.0 . 18863 9 >> 299 1.0 . 18863 9 >> 300 1.0 . 18863 9 >> 301 1.0 . 18863 9 >> 302 1.0 . 18863 9 >> 303 1.0 . 18863 9 >> 304 1.0 . 18863 9 >> 305 1.0 . 18863 9 >> 306 1.0 . 18863 9 >> 307 1.0 . 18863 9 >> 308 1.0 . 18863 9 >> 309 1.0 . 18863 9 >> 310 1.0 . 18863 9 >> 311 1.0 . 18863 9 >> 312 1.0 . 18863 9 >> 313 1.0 . 18863 9 >> 314 1.0 . 18863 9 >> 315 1.0 . 18863 9 >> 316 1.0 . 18863 9 >> 317 1.0 . 18863 9 >> 318 1.0 . 18863 9 >> 319 1.0 . 18863 9 >> 320 1.0 . 18863 9 >> 321 1.0 . 18863 9 >> 322 1.0 . 18863 9 >> 323 1.0 . 18863 9 >> 324 1.0 . 18863 9 >> 325 1.0 . 18863 9 >> 326 1.0 . 18863 9 >> 327 1.0 . 18863 9 >> 328 1.0 . 18863 9 >> 329 1.0 . 18863 9 >> 330 1.0 . 18863 9 >> 331 1.0 . 18863 9 >> 332 1.0 . 18863 9 >> 333 1.0 . 18863 9 >> 334 1.0 . 18863 9 >> 335 1.0 . 18863 9 >> 336 1.0 . 18863 9 >> 337 1.0 . 18863 9 >> 338 1.0 . 18863 9 >> 339 1.0 . 18863 9 >> 340 1.0 . 18863 9 >> 341 1.0 . 18863 9 >> 342 1.0 . 18863 9 >> 343 1.0 . 18863 9 >> 344 1.0 . 18863 9 >> >> 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 12112099.0000 . height 18863 9 >> 1 86802882.5000 . volume 18863 9 >> 2 27403298.0000 . height 18863 9 >> 2 206582179.0000 . volume 18863 9 >> 3 14222873.0000 . height 18863 9 >> 3 114900307.0000 . volume 18863 9 >> 4 34670764.0000 . height 18863 9 >> 4 279739402.0000 . volume 18863 9 >> 5 20121796.0000 . height 18863 9 >> 5 160243748.0000 . volume 18863 9 >> 6 29523752.0000 . height 18863 9 >> 6 205430574.0000 . volume 18863 9 >> 7 77167624.0000 . height 18863 9 >> 7 603975428.0000 . volume 18863 9 >> 8 14784037.0000 . height 18863 9 >> 8 119377892.0000 . volume 18863 9 >> 9 53800080.0000 . height 18863 9 >> 9 432857524.0000 . volume 18863 9 >> 10 11609482.0000 . height 18863 9 >> 10 77153854.5000 . volume 18863 9 >> 11 17753316.0000 . height 18863 9 >> 11 136543604.0000 . volume 18863 9 >> 12 25516864.0000 . height 18863 9 >> 12 195353358.0000 . volume 18863 9 >> 13 26969356.0000 . height 18863 9 >> 13 203051102.0000 . volume 18863 9 >> 14 11069995.0000 . height 18863 9 >> 14 84267857.5000 . volume 18863 9 >> 15 15754139.0000 . height 18863 9 >> 15 111025445.5000 . volume 18863 9 >> 16 16799764.0000 . height 18863 9 >> 16 131269403.0000 . volume 18863 9 >> 17 30594798.0000 . height 18863 9 >> 17 237861086.0000 . volume 18863 9 >> 18 15150259.0000 . height 18863 9 >> 18 114135075.0000 . volume 18863 9 >> 19 46418800.0000 . height 18863 9 >> 19 359373046.0000 . volume 18863 9 >> 20 43705948.0000 . height 18863 9 >> 20 384635328.0000 . volume 18863 9 >> 21 39693992.0000 . height 18863 9 >> 21 299412002.0000 . volume 18863 9 >> 22 15082142.0000 . height 18863 9 >> 22 115238076.0000 . volume 18863 9 >> 23 23641612.0000 . height 18863 9 >> 23 190501644.0000 . volume 18863 9 >> 24 14047530.0000 . height 18863 9 >> 24 111393993.0000 . volume 18863 9 >> 25 12169991.0000 . height 18863 9 >> 25 100693243.0000 . volume 18863 9 >> 26 12104051.0000 . height 18863 9 >> 26 96645501.0000 . volume 18863 9 >> 27 38060368.0000 . height 18863 9 >> 27 319293908.0000 . volume 18863 9 >> 28 96085904.0000 . height 18863 9 >> 28 790190576.0000 . volume 18863 9 >> 29 31097356.0000 . height 18863 9 >> 29 236900052.0000 . volume 18863 9 >> 30 27923692.0000 . height 18863 9 >> 30 212701438.0000 . volume 18863 9 >> 31 19950156.0000 . height 18863 9 >> 31 147326064.0000 . volume 18863 9 >> 32 13787177.0000 . height 18863 9 >> 32 91020848.0000 . volume 18863 9 >> 33 18346064.0000 . height 18863 9 >> 33 131235258.5000 . volume 18863 9 >> 34 17707468.0000 . height 18863 9 >> 34 132088255.0000 . volume 18863 9 >> 35 11515954.0000 . height 18863 9 >> 35 79585951.0000 . volume 18863 9 >> 36 10420050.0000 . height 18863 9 >> 36 73641599.5000 . volume 18863 9 >> 37 11126272.0000 . height 18863 9 >> 37 76795591.0000 . volume 18863 9 >> 38 40096596.0000 . height 18863 9 >> 38 323105346.0000 . volume 18863 9 >> 39 40870720.0000 . height 18863 9 >> 39 312419560.0000 . volume 18863 9 >> 40 28319300.0000 . height 18863 9 >> 40 206587135.0000 . volume 18863 9 >> 41 10671241.0000 . height 18863 9 >> 41 65392464.0000 . volume 18863 9 >> 42 22247084.0000 . height 18863 9 >> 42 161599603.0000 . volume 18863 9 >> 43 28689328.0000 . height 18863 9 >> 43 216271411.0000 . volume 18863 9 >> 44 18328934.0000 . height 18863 9 >> 44 139226833.0000 . volume 18863 9 >> 45 21510540.0000 . height 18863 9 >> 45 161889164.0000 . volume 18863 9 >> 46 36363156.0000 . height 18863 9 >> 46 293084804.0000 . volume 18863 9 >> 47 25414882.0000 . height 18863 9 >> 47 207075036.0000 . volume 18863 9 >> 48 27477880.0000 . height 18863 9 >> 48 225541102.0000 . volume 18863 9 >> 49 19778706.0000 . height 18863 9 >> 49 156088560.0000 . volume 18863 9 >> 50 14393523.0000 . height 18863 9 >> 50 113467150.0000 . volume 18863 9 >> 51 9823094.0000 . height 18863 9 >> 51 78357643.5000 . volume 18863 9 >> 52 7803106.5000 . height 18863 9 >> 52 60330264.5000 . volume 18863 9 >> 53 9522606.0000 . height 18863 9 >> 53 77728932.5000 . volume 18863 9 >> 54 9959616.0000 . height 18863 9 >> 54 75382634.0000 . volume 18863 9 >> 55 9531590.0000 . height 18863 9 >> 55 69948916.5000 . volume 18863 9 >> 56 8080053.5000 . height 18863 9 >> 56 62852691.0000 . volume 18863 9 >> 57 6778848.0000 . height 18863 9 >> 57 51542162.5000 . volume 18863 9 >> 58 12459741.0000 . height 18863 9 >> 58 101063773.0000 . volume 18863 9 >> 59 36787172.0000 . height 18863 9 >> 59 253620902.0000 . volume 18863 9 >> 60 27876382.0000 . height 18863 9 >> 60 191796414.0000 . volume 18863 9 >> 61 8806028.0000 . height 18863 9 >> 61 58129213.0000 . volume 18863 9 >> 62 9684188.0000 . height 18863 9 >> 62 73756233.0000 . volume 18863 9 >> 63 9510519.0000 . height 18863 9 >> 63 71115823.0000 . volume 18863 9 >> 64 14007646.0000 . height 18863 9 >> 64 91218143.0000 . volume 18863 9 >> 65 10705758.0000 . height 18863 9 >> 65 75496147.5000 . volume 18863 9 >> 66 10650543.0000 . height 18863 9 >> 66 84758352.5000 . volume 18863 9 >> 67 11076416.0000 . height 18863 9 >> 67 80429798.0000 . volume 18863 9 >> 68 9425540.0000 . height 18863 9 >> 68 77131152.5000 . volume 18863 9 >> 69 44929984.0000 . height 18863 9 >> 69 360911104.0000 . volume 18863 9 >> 70 31881862.0000 . height 18863 9 >> 70 258503956.0000 . volume 18863 9 >> 71 18577184.0000 . height 18863 9 >> 71 149095534.0000 . volume 18863 9 >> 72 42259880.0000 . height 18863 9 >> 72 337952552.0000 . volume 18863 9 >> 73 42801216.0000 . height 18863 9 >> 73 310368208.0000 . volume 18863 9 >> 74 28655292.0000 . height 18863 9 >> 74 218674440.0000 . volume 18863 9 >> 75 37818052.0000 . height 18863 9 >> 75 280108070.0000 . volume 18863 9 >> 76 24884726.0000 . height 18863 9 >> 76 188185255.0000 . volume 18863 9 >> 77 18946466.0000 . height 18863 9 >> 77 146850359.0000 . volume 18863 9 >> 78 20408202.0000 . height 18863 9 >> 78 148212964.0000 . volume 18863 9 >> 79 90288656.0000 . height 18863 9 >> 79 737760064.0000 . volume 18863 9 >> 80 61214764.0000 . height 18863 9 >> 80 505917524.0000 . volume 18863 9 >> 81 135329120.0000 . height 18863 9 >> 81 1153978256.0000 . volume 18863 9 >> 82 12415546.0000 . height 18863 9 >> 82 92892087.0000 . volume 18863 9 >> 83 11252747.0000 . height 18863 9 >> 83 86646707.0000 . volume 18863 9 >> 84 13397888.0000 . height 18863 9 >> 84 104033627.0000 . volume 18863 9 >> 85 14903803.0000 . height 18863 9 >> 85 102360053.0000 . volume 18863 9 >> 86 17670878.0000 . height 18863 9 >> 86 137060788.0000 . volume 18863 9 >> 87 18925448.0000 . height 18863 9 >> 87 154656895.0000 . volume 18863 9 >> 88 23223120.0000 . height 18863 9 >> 88 182992846.0000 . volume 18863 9 >> 89 75879736.0000 . height 18863 9 >> 89 610736968.0000 . volume 18863 9 >> 90 81067200.0000 . height 18863 9 >> 90 701824120.0000 . volume 18863 9 >> 91 41787576.0000 . height 18863 9 >> 91 334989720.0000 . volume 18863 9 >> 92 27005164.0000 . height 18863 9 >> 92 197502548.0000 . volume 18863 9 >> 93 29826858.0000 . height 18863 9 >> 93 220854936.0000 . volume 18863 9 >> 94 27540056.0000 . height 18863 9 >> 94 231328128.0000 . volume 18863 9 >> 95 18144340.0000 . height 18863 9 >> 95 156810050.0000 . volume 18863 9 >> 96 23219942.0000 . height 18863 9 >> 96 177650064.0000 . volume 18863 9 >> 97 26112258.0000 . height 18863 9 >> 97 190352655.0000 . volume 18863 9 >> 98 34427560.0000 . height 18863 9 >> 98 282325300.0000 . volume 18863 9 >> 99 40443296.0000 . height 18863 9 >> 99 341635104.0000 . volume 18863 9 >> 100 40104716.0000 . height 18863 9 >> 100 328488472.0000 . volume 18863 9 >> 101 52727156.0000 . height 18863 9 >> 101 436129732.0000 . volume 18863 9 >> 102 50514568.0000 . height 18863 9 >> 102 422788264.0000 . volume 18863 9 >> 103 41785476.0000 . height 18863 9 >> 103 346612664.0000 . volume 18863 9 >> 104 40428244.0000 . height 18863 9 >> 104 305218324.0000 . volume 18863 9 >> 105 20482242.0000 . height 18863 9 >> 105 160607884.0000 . volume 18863 9 >> 106 20015056.0000 . height 18863 9 >> 106 154434947.0000 . volume 18863 9 >> 107 32482510.0000 . height 18863 9 >> 107 225301314.0000 . volume 18863 9 >> 108 18290266.0000 . height 18863 9 >> 108 134362458.0000 . volume 18863 9 >> 109 16974610.0000 . height 18863 9 >> 109 112476592.0000 . volume 18863 9 >> 110 17320982.0000 . height 18863 9 >> 110 135710483.0000 . volume 18863 9 >> 111 17209326.0000 . height 18863 9 >> 111 138445353.0000 . volume 18863 9 >> 112 16654424.0000 . height 18863 9 >> 112 130882765.0000 . volume 18863 9 >> 113 21282210.0000 . height 18863 9 >> 113 152052333.0000 . volume 18863 9 >> 114 16919406.0000 . height 18863 9 >> 114 133886419.0000 . volume 18863 9 >> 115 18536466.0000 . height 18863 9 >> 115 149774364.0000 . volume 18863 9 >> 116 20701462.0000 . height 18863 9 >> 116 161801304.0000 . volume 18863 9 >> 117 25442760.0000 . height 18863 9 >> 117 201775440.0000 . volume 18863 9 >> 118 36877844.0000 . height 18863 9 >> 118 298004174.0000 . volume 18863 9 >> 119 41336272.0000 . height 18863 9 >> 119 322173572.0000 . volume 18863 9 >> 120 25060056.0000 . height 18863 9 >> 120 197751976.0000 . volume 18863 9 >> 121 18205278.0000 . height 18863 9 >> 121 147949877.0000 . volume 18863 9 >> 122 33362794.0000 . height 18863 9 >> 122 255807290.0000 . volume 18863 9 >> 123 28862820.0000 . height 18863 9 >> 123 218075174.0000 . volume 18863 9 >> 124 40593524.0000 . height 18863 9 >> 124 304878016.0000 . volume 18863 9 >> 125 31896162.0000 . height 18863 9 >> 125 236915662.0000 . volume 18863 9 >> 126 31400488.0000 . height 18863 9 >> 126 253349772.0000 . volume 18863 9 >> 127 18485138.0000 . height 18863 9 >> 127 135997187.0000 . volume 18863 9 >> 128 35118580.0000 . height 18863 9 >> 128 306206624.0000 . volume 18863 9 >> 129 46436052.0000 . height 18863 9 >> 129 389178920.0000 . volume 18863 9 >> 130 24917004.0000 . height 18863 9 >> 130 213951304.0000 . volume 18863 9 >> 131 27913688.0000 . height 18863 9 >> 131 235090442.0000 . volume 18863 9 >> 132 33502376.0000 . height 18863 9 >> 132 263337768.0000 . volume 18863 9 >> 133 20657330.0000 . height 18863 9 >> 133 160572148.0000 . volume 18863 9 >> 134 20651716.0000 . height 18863 9 >> 134 153345540.0000 . volume 18863 9 >> 135 30709356.0000 . height 18863 9 >> 135 225910790.0000 . volume 18863 9 >> 136 15008687.0000 . height 18863 9 >> 136 122739358.0000 . volume 18863 9 >> 137 18106482.0000 . height 18863 9 >> 137 136132241.0000 . volume 18863 9 >> 138 25585670.0000 . height 18863 9 >> 138 202243536.0000 . volume 18863 9 >> 139 21431292.0000 . height 18863 9 >> 139 171910862.0000 . volume 18863 9 >> 140 18202638.0000 . height 18863 9 >> 140 137901473.0000 . volume 18863 9 >> 141 32823248.0000 . height 18863 9 >> 141 268986672.0000 . volume 18863 9 >> 142 37183052.0000 . height 18863 9 >> 142 312292586.0000 . volume 18863 9 >> 143 25809322.0000 . height 18863 9 >> 143 197567020.0000 . volume 18863 9 >> 144 40034792.0000 . height 18863 9 >> 144 340889616.0000 . volume 18863 9 >> 145 54368296.0000 . height 18863 9 >> 145 444251432.0000 . volume 18863 9 >> 146 64027292.0000 . height 18863 9 >> 146 471088188.0000 . volume 18863 9 >> 147 56980556.0000 . height 18863 9 >> 147 477373112.0000 . volume 18863 9 >> 148 18145700.0000 . height 18863 9 >> 148 122695747.0000 . volume 18863 9 >> 149 43213328.0000 . height 18863 9 >> 149 317783318.0000 . volume 18863 9 >> 150 32710194.0000 . height 18863 9 >> 150 269890002.0000 . volume 18863 9 >> 151 16512298.0000 . height 18863 9 >> 151 118749479.0000 . volume 18863 9 >> 152 15572465.0000 . height 18863 9 >> 152 112468316.5000 . volume 18863 9 >> 153 28842076.0000 . height 18863 9 >> 153 243879870.0000 . volume 18863 9 >> 154 80254408.0000 . height 18863 9 >> 154 632211464.0000 . volume 18863 9 >> 155 63076008.0000 . height 18863 9 >> 155 507731948.0000 . volume 18863 9 >> 156 55859032.0000 . height 18863 9 >> 156 483225840.0000 . volume 18863 9 >> 157 136611184.0000 . height 18863 9 >> 157 1106580792.0000 . volume 18863 9 >> 158 66012212.0000 . height 18863 9 >> 158 509050180.0000 . volume 18863 9 >> 159 58439940.0000 . height 18863 9 >> 159 386880950.0000 . volume 18863 9 >> 160 52513372.0000 . height 18863 9 >> 160 343574270.0000 . volume 18863 9 >> 161 28454908.0000 . height 18863 9 >> 161 229175446.0000 . volume 18863 9 >> 162 26022576.0000 . height 18863 9 >> 162 204840368.0000 . volume 18863 9 >> 163 40306904.0000 . height 18863 9 >> 163 316564342.0000 . volume 18863 9 >> 164 34576780.0000 . height 18863 9 >> 164 231339157.0000 . volume 18863 9 >> 165 37755700.0000 . height 18863 9 >> 165 298764650.0000 . volume 18863 9 >> 166 36102532.0000 . height 18863 9 >> 166 273838492.0000 . volume 18863 9 >> 167 22430050.0000 . height 18863 9 >> 167 151397987.0000 . volume 18863 9 >> 168 23754112.0000 . height 18863 9 >> 168 185964917.0000 . volume 18863 9 >> 169 38156884.0000 . height 18863 9 >> 169 293879164.0000 . volume 18863 9 >> 170 60413456.0000 . height 18863 9 >> 170 487259692.0000 . volume 18863 9 >> 171 97105968.0000 . height 18863 9 >> 171 769334464.0000 . volume 18863 9 >> 172 69613960.0000 . height 18863 9 >> 172 538308488.0000 . volume 18863 9 >> 173 68430928.0000 . height 18863 9 >> 173 547144524.0000 . volume 18863 9 >> 174 149471392.0000 . height 18863 9 >> 174 1206637520.0000 . volume 18863 9 >> 175 19786436.0000 . height 18863 9 >> 175 162612791.0000 . volume 18863 9 >> 176 35693804.0000 . height 18863 9 >> 176 289608544.0000 . volume 18863 9 >> 177 32606414.0000 . height 18863 9 >> 177 248481802.0000 . volume 18863 9 >> 178 12001476.0000 . height 18863 9 >> 178 97388835.0000 . volume 18863 9 >> 179 14378303.0000 . height 18863 9 >> 179 100998037.5000 . volume 18863 9 >> 180 12899703.0000 . height 18863 9 >> 180 89164825.0000 . volume 18863 9 >> 181 29544042.0000 . height 18863 9 >> 181 228577502.0000 . volume 18863 9 >> 182 21996590.0000 . height 18863 9 >> 182 132074908.0000 . volume 18863 9 >> 183 21151094.0000 . height 18863 9 >> 183 157243766.0000 . volume 18863 9 >> 184 82683424.0000 . height 18863 9 >> 184 297728768.0000 . volume 18863 9 >> 185 72921056.0000 . height 18863 9 >> 185 617363776.0000 . volume 18863 9 >> 186 66914956.0000 . height 18863 9 >> 186 538608856.0000 . volume 18863 9 >> 187 33403444.0000 . height 18863 9 >> 187 269887388.0000 . volume 18863 9 >> 188 32851954.0000 . height 18863 9 >> 188 265279838.0000 . volume 18863 9 >> 189 37960704.0000 . height 18863 9 >> 189 312141086.0000 . volume 18863 9 >> 190 21136032.0000 . height 18863 9 >> 190 162986530.0000 . volume 18863 9 >> 191 26711180.0000 . height 18863 9 >> 191 205083692.0000 . volume 18863 9 >> 192 24296264.0000 . height 18863 9 >> 192 194546998.0000 . volume 18863 9 >> 193 17083622.0000 . height 18863 9 >> 193 128314877.0000 . volume 18863 9 >> 194 16994576.0000 . height 18863 9 >> 194 140993771.0000 . volume 18863 9 >> 195 22434984.0000 . height 18863 9 >> 195 182119106.0000 . volume 18863 9 >> 196 37784668.0000 . height 18863 9 >> 196 320920130.0000 . volume 18863 9 >> 197 37897840.0000 . height 18863 9 >> 197 318535934.0000 . volume 18863 9 >> 198 109300680.0000 . height 18863 9 >> 198 904757152.0000 . volume 18863 9 >> 199 64268244.0000 . height 18863 9 >> 199 542440252.0000 . volume 18863 9 >> 200 18074098.0000 . height 18863 9 >> 200 150169305.0000 . volume 18863 9 >> 201 11476509.0000 . height 18863 9 >> 201 95899977.0000 . volume 18863 9 >> 202 30398084.0000 . height 18863 9 >> 202 247676154.0000 . volume 18863 9 >> 203 11133513.0000 . height 18863 9 >> 203 86897574.5000 . volume 18863 9 >> 204 12478489.0000 . height 18863 9 >> 204 90367534.0000 . volume 18863 9 >> 205 9954556.0000 . height 18863 9 >> 205 65003562.5000 . volume 18863 9 >> 206 11793886.0000 . height 18863 9 >> 206 73210636.7500 . volume 18863 9 >> 207 11190628.0000 . height 18863 9 >> 207 83439671.0000 . volume 18863 9 >> 208 9834269.0000 . height 18863 9 >> 208 70866294.5000 . volume 18863 9 >> 209 31352188.0000 . height 18863 9 >> 209 243509956.0000 . volume 18863 9 >> 210 12162865.0000 . height 18863 9 >> 210 94433345.5000 . volume 18863 9 >> 211 11575507.0000 . height 18863 9 >> 211 97685538.0000 . volume 18863 9 >> 212 11918653.0000 . height 18863 9 >> 212 98920760.0000 . volume 18863 9 >> 213 10591851.0000 . height 18863 9 >> 213 90322830.0000 . volume 18863 9 >> 214 12266093.0000 . height 18863 9 >> 214 103907731.0000 . volume 18863 9 >> 215 10721369.0000 . height 18863 9 >> 215 89694592.0000 . volume 18863 9 >> 216 16927912.0000 . height 18863 9 >> 216 137590905.0000 . volume 18863 9 >> 217 13762431.0000 . height 18863 9 >> 217 111578172.0000 . volume 18863 9 >> 218 38349892.0000 . height 18863 9 >> 218 329040292.0000 . volume 18863 9 >> 219 38327840.0000 . height 18863 9 >> 219 334659928.0000 . volume 18863 9 >> 220 30217556.0000 . height 18863 9 >> 220 256586236.0000 . volume 18863 9 >> 221 30764680.0000 . height 18863 9 >> 221 261025386.0000 . volume 18863 9 >> 222 28759722.0000 . height 18863 9 >> 222 237940712.0000 . volume 18863 9 >> 223 24217892.0000 . height 18863 9 >> 223 206447440.0000 . volume 18863 9 >> 224 11578024.0000 . height 18863 9 >> 224 94577758.0000 . volume 18863 9 >> 225 22708388.0000 . height 18863 9 >> 225 187466384.0000 . volume 18863 9 >> 226 12492210.0000 . height 18863 9 >> 226 99922427.0000 . volume 18863 9 >> 227 10324919.0000 . height 18863 9 >> 227 80641885.0000 . volume 18863 9 >> 228 12427005.0000 . height 18863 9 >> 228 100121802.0000 . volume 18863 9 >> 229 15026086.0000 . height 18863 9 >> 229 99979662.5000 . volume 18863 9 >> 230 10579675.0000 . height 18863 9 >> 230 74351521.0000 . volume 18863 9 >> 231 14338925.0000 . height 18863 9 >> 231 101742653.0000 . volume 18863 9 >> 232 22206984.0000 . height 18863 9 >> 232 163117494.0000 . volume 18863 9 >> 233 32598096.0000 . height 18863 9 >> 233 237768388.0000 . volume 18863 9 >> 234 18509104.0000 . height 18863 9 >> 234 138117872.0000 . volume 18863 9 >> 235 19406102.0000 . height 18863 9 >> 235 138333590.0000 . volume 18863 9 >> 236 15609310.0000 . height 18863 9 >> 236 107196743.5000 . volume 18863 9 >> 237 26975274.0000 . height 18863 9 >> 237 207824902.0000 . volume 18863 9 >> 238 14976087.0000 . height 18863 9 >> 238 110445993.0000 . volume 18863 9 >> 239 15739428.0000 . height 18863 9 >> 239 111488990.0000 . volume 18863 9 >> 240 16025613.0000 . height 18863 9 >> 240 123925399.0000 . volume 18863 9 >> 241 16542748.0000 . height 18863 9 >> 241 118495043.0000 . volume 18863 9 >> 242 11025364.0000 . height 18863 9 >> 242 79563966.5000 . volume 18863 9 >> 243 15804443.0000 . height 18863 9 >> 243 122010784.0000 . volume 18863 9 >> 244 11591274.0000 . height 18863 9 >> 244 88583370.0000 . volume 18863 9 >> 245 11212457.0000 . height 18863 9 >> 245 85842558.0000 . volume 18863 9 >> 246 27696192.0000 . height 18863 9 >> 246 179819206.0000 . volume 18863 9 >> 247 24016886.0000 . height 18863 9 >> 247 184438836.0000 . volume 18863 9 >> 248 24195754.0000 . height 18863 9 >> 248 191750630.0000 . volume 18863 9 >> 249 38132036.0000 . height 18863 9 >> 249 297185480.0000 . volume 18863 9 >> 250 25015694.0000 . height 18863 9 >> 250 216598606.0000 . volume 18863 9 >> 251 20355280.0000 . height 18863 9 >> 251 171823198.0000 . volume 18863 9 >> 252 29473560.0000 . height 18863 9 >> 252 221834308.0000 . volume 18863 9 >> 253 38311292.0000 . height 18863 9 >> 253 299140762.0000 . volume 18863 9 >> 254 31738932.0000 . height 18863 9 >> 254 253390362.0000 . volume 18863 9 >> 255 29190490.0000 . height 18863 9 >> 255 226303800.0000 . volume 18863 9 >> 256 12576016.0000 . height 18863 9 >> 256 99206754.0000 . volume 18863 9 >> 257 8333944.5000 . height 18863 9 >> 257 65335860.5000 . volume 18863 9 >> 258 9738636.0000 . height 18863 9 >> 258 71971526.5000 . volume 18863 9 >> 259 10711241.0000 . height 18863 9 >> 259 67555430.7500 . volume 18863 9 >> 260 8158893.0000 . height 18863 9 >> 260 60692132.5000 . volume 18863 9 >> 261 8052671.0000 . height 18863 9 >> 261 63451667.0000 . volume 18863 9 >> 262 42012676.0000 . height 18863 9 >> 262 345596892.0000 . volume 18863 9 >> 263 87094048.0000 . height 18863 9 >> 263 718193944.0000 . volume 18863 9 >> 264 42029216.0000 . height 18863 9 >> 264 344083430.0000 . volume 18863 9 >> 265 62201056.0000 . height 18863 9 >> 265 503445012.0000 . volume 18863 9 >> 266 66667672.0000 . height 18863 9 >> 266 545580596.0000 . volume 18863 9 >> 267 36861868.0000 . height 18863 9 >> 267 272997104.0000 . volume 18863 9 >> 268 35103612.0000 . height 18863 9 >> 268 277723462.0000 . volume 18863 9 >> 269 37981992.0000 . height 18863 9 >> 269 314346150.0000 . volume 18863 9 >> 270 60955504.0000 . height 18863 9 >> 270 481159944.0000 . volume 18863 9 >> 271 51122400.0000 . height 18863 9 >> 271 424302072.0000 . volume 18863 9 >> 272 51029864.0000 . height 18863 9 >> 272 430140028.0000 . volume 18863 9 >> 273 35309740.0000 . height 18863 9 >> 273 261380910.0000 . volume 18863 9 >> 274 138963584.0000 . height 18863 9 >> 274 1143688920.0000 . volume 18863 9 >> 275 28269444.0000 . height 18863 9 >> 275 223909116.0000 . volume 18863 9 >> 276 28876092.0000 . height 18863 9 >> 276 226132700.0000 . volume 18863 9 >> 277 136936288.0000 . height 18863 9 >> 277 1188109024.0000 . volume 18863 9 >> 278 100401656.0000 . height 18863 9 >> 278 845231000.0000 . volume 18863 9 >> 279 108850352.0000 . height 18863 9 >> 279 893705496.0000 . volume 18863 9 >> 280 26951836.0000 . height 18863 9 >> 280 205211001.0000 . volume 18863 9 >> 281 20156926.0000 . height 18863 9 >> 281 164471856.0000 . volume 18863 9 >> 282 33214534.0000 . height 18863 9 >> 282 262783872.0000 . volume 18863 9 >> 283 71257664.0000 . height 18863 9 >> 283 609818592.0000 . volume 18863 9 >> 284 41018956.0000 . height 18863 9 >> 284 336862816.0000 . volume 18863 9 >> 285 39615544.0000 . height 18863 9 >> 285 330061264.0000 . volume 18863 9 >> 286 98647608.0000 . height 18863 9 >> 286 831351496.0000 . volume 18863 9 >> 287 29172848.0000 . height 18863 9 >> 287 211846920.0000 . volume 18863 9 >> 288 33260268.0000 . height 18863 9 >> 288 242872518.0000 . volume 18863 9 >> 289 29940354.0000 . height 18863 9 >> 289 242362944.0000 . volume 18863 9 >> 290 3623311.0000 . height 18863 9 >> 290 25141371.2500 . volume 18863 9 >> 291 2747129.7500 . height 18863 9 >> 291 21434133.0000 . volume 18863 9 >> 292 7259687.5000 . height 18863 9 >> 292 57200082.0000 . volume 18863 9 >> 293 7129856.0000 . height 18863 9 >> 293 55724885.5000 . volume 18863 9 >> 294 7895783.5000 . height 18863 9 >> 294 60535570.0000 . volume 18863 9 >> 295 5460429.5000 . height 18863 9 >> 295 42815764.0000 . volume 18863 9 >> 296 14415999.0000 . height 18863 9 >> 296 111468127.0000 . volume 18863 9 >> 297 4137916.2500 . height 18863 9 >> 297 26686414.9375 . volume 18863 9 >> 298 2291191.5000 . height 18863 9 >> 298 15487291.3125 . volume 18863 9 >> 299 7637875.5000 . height 18863 9 >> 299 57380682.5000 . volume 18863 9 >> 300 7118873.0000 . height 18863 9 >> 300 52611150.0000 . volume 18863 9 >> 301 2438623.2500 . height 18863 9 >> 301 18885108.8750 . volume 18863 9 >> 302 3442042.7500 . height 18863 9 >> 302 27201716.2500 . volume 18863 9 >> 303 2879464.2500 . height 18863 9 >> 303 16877032.5000 . volume 18863 9 >> 304 2344799.5000 . height 18863 9 >> 304 15040775.2500 . volume 18863 9 >> 305 3612794.0000 . height 18863 9 >> 305 27722019.0000 . volume 18863 9 >> 306 2308625.5000 . height 18863 9 >> 306 16279531.7500 . volume 18863 9 >> 307 2320820.7500 . height 18863 9 >> 307 16534848.7500 . volume 18863 9 >> 308 4461987.0000 . height 18863 9 >> 308 36209940.0000 . volume 18863 9 >> 309 5637832.0000 . height 18863 9 >> 309 38940219.7500 . volume 18863 9 >> 310 5057869.5000 . height 18863 9 >> 310 38017842.5000 . volume 18863 9 >> 311 4891903.5000 . height 18863 9 >> 311 32708123.5000 . volume 18863 9 >> 312 3265963.7500 . height 18863 9 >> 312 21006551.5625 . volume 18863 9 >> 313 4647615.0000 . height 18863 9 >> 313 28751119.3750 . volume 18863 9 >> 314 6281886.5000 . height 18863 9 >> 314 46073853.7500 . volume 18863 9 >> 315 2461915.5000 . height 18863 9 >> 315 16574119.1875 . volume 18863 9 >> 316 4256359.0000 . height 18863 9 >> 316 26109269.5000 . volume 18863 9 >> 317 13292824.0000 . height 18863 9 >> 317 101127388.0000 . volume 18863 9 >> 318 9976710.0000 . height 18863 9 >> 318 77763455.5000 . volume 18863 9 >> 319 9963836.0000 . height 18863 9 >> 319 80065905.0000 . volume 18863 9 >> 320 13645875.0000 . height 18863 9 >> 320 103951393.0000 . volume 18863 9 >> 321 13862286.0000 . height 18863 9 >> 321 106563113.0000 . volume 18863 9 >> 322 13222731.0000 . height 18863 9 >> 322 109570815.0000 . volume 18863 9 >> 323 10308397.0000 . height 18863 9 >> 323 83075033.5000 . volume 18863 9 >> 324 8335499.0000 . height 18863 9 >> 324 61826026.5000 . volume 18863 9 >> 325 11947840.0000 . height 18863 9 >> 325 87831509.5000 . volume 18863 9 >> 326 11597971.0000 . height 18863 9 >> 326 87590224.5000 . volume 18863 9 >> 327 14225346.0000 . height 18863 9 >> 327 110605600.0000 . volume 18863 9 >> 328 16089480.0000 . height 18863 9 >> 328 123195472.0000 . volume 18863 9 >> 329 13511289.0000 . height 18863 9 >> 329 113379891.0000 . volume 18863 9 >> 330 12747389.0000 . height 18863 9 >> 330 99729316.5000 . volume 18863 9 >> 331 12038094.0000 . height 18863 9 >> 331 97946015.0000 . volume 18863 9 >> 332 9215889.0000 . height 18863 9 >> 332 76415316.5000 . volume 18863 9 >> 333 11119380.0000 . height 18863 9 >> 333 91786930.0000 . volume 18863 9 >> 334 8623583.0000 . height 18863 9 >> 334 65230253.0000 . volume 18863 9 >> 335 11291602.0000 . height 18863 9 >> 335 76794535.7500 . volume 18863 9 >> 336 8622380.0000 . height 18863 9 >> 336 67066565.0000 . volume 18863 9 >> 337 9212818.0000 . height 18863 9 >> 337 76466458.5000 . volume 18863 9 >> 338 11659137.0000 . height 18863 9 >> 338 97452047.0000 . volume 18863 9 >> 339 11649191.0000 . height 18863 9 >> 339 100221954.0000 . volume 18863 9 >> 340 10990294.0000 . height 18863 9 >> 340 88786210.0000 . volume 18863 9 >> 341 9214121.0000 . height 18863 9 >> 341 76109283.5000 . volume 18863 9 >> 342 8729919.0000 . height 18863 9 >> 342 67756859.0000 . volume 18863 9 >> 343 8196879.5000 . height 18863 9 >> 343 65467027.5000 . volume 18863 9 >> 344 8204294.0000 . height 18863 9 >> 344 65247618.0000 . volume 18863 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 >> >> 3 1 3.824 . . . . . . . . . . . . 8 18863 9 >> 3 2 1.125 . . . . . . . . . . . . 8 18863 9 >> 4 1 3.745 . . . . . . . . . . . . 8 18863 9 >> 4 2 1.128 . . . . . . . . . . . . 8 18863 9 >> 18 1 4.201 . . . . . . . . . . . . 8 18863 9 >> 18 2 0.860 . . . . . . . . . . . . 8 18863 9 >> 22 1 4.201 . . . . . . . . . . . . 8 18863 9 >> 22 2 0.847 . . . . . . . . . . . . 8 18863 9 >> 143 1 3.983 . . . . . . . . . . . . 8 18863 9 >> 143 2 2.978 . . . . . . . . . . . . 8 18863 9 >> 209 1 1.314 . . . . . . . . . . . . 8 18863 9 >> 209 2 4.019 . . . . . . . . . . . . 8 18863 9 >> 251 1 3.001 . . . . . . . . . . . . 8 18863 9 >> 251 2 3.989 . . . . . . . . . . . . 8 18863 9 >> 256 1 2.948 . . . . . . . . . . . . 8 18863 9 >> 256 2 3.988 . . . . . . . . . . . . 8 18863 9 >> 297 1 4.157 . . . . . . . . . . . . 8 18863 9 >> 297 2 6.808 . . . . . . . . . . . . 8 18863 9 >> 300 1 3.920 . . . . . . . . . . . . 8 18863 9 >> 300 2 6.950 . . . . . . . . . . . . 8 18863 9 >> 339 1 1.555 . . . . . . . . . . . . 8 18863 9 >> 339 2 2.857 . . . . . . . . . . . . 8 18863 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 >> >> 3 1 . 1 . . 3.824 . 1 1 1 38 ILE HA . . . . . . 302 . 18863 9 >> 3 2 . 1 . . 1.125 . 1 1 1 38 ILE HG13 . . . . . . 394 . 18863 9 >> 18 1 . 1 . . 4.201 . 1 1 1 75 ALA HA . . . . . . 374 . 18863 9 >> 18 2 . 1 . . 0.860 . 1 1 1 24 LEU MD1 . . . . . . 605 . 18863 9 >> 22 1 . 2 . . 4.201 . 1 1 1 75 ALA HA . . . . . . 374 . 18863 9 >> 22 2 . 2 . . 0.847 . 1 1 1 24 LEU MD2 . . . . . . 607 . 18863 9 >> 143 1 . 1 . . 3.983 . 1 1 1 62 ALA HA . . . . . . 350 . 18863 9 >> 143 2 . 1 . . 2.978 . 1 1 1 61 TYR HB3 . . . . . . 433 . 18863 9 >> 209 1 . 1 . . 1.314 . 1 1 1 82 ALA MB . . . . . . 443 . 18863 9 >> 209 2 . 1 . . 4.019 . 1 1 1 82 ALA HA . . . . . . 442 . 18863 9 >> 251 1 . 1 . . 3.001 . 1 1 1 61 TYR HB3 . . . . . . 433 . 18863 9 >> 251 2 . 1 . . 3.989 . 1 1 1 62 ALA HA . . . . . . 350 . 18863 9 >> 256 1 . 1 . . 2.948 . 1 1 1 64 TYR HB2 . . . . . . 676 . 18863 9 >> 256 2 . 1 . . 3.988 . 1 1 1 62 ALA HA . . . . . . 350 . 18863 9 >> 297 1 . 1 . . 4.157 . 1 1 1 31 SER HA . . . . . . 276 . 18863 9 >> 297 2 . 1 . . 6.808 . 1 1 1 63 PHE QD . . . . . . 670 . 18863 9 >> 300 1 . 1 . . 3.920 . 1 1 1 48 ALA HA . . . . . . 411 . 18863 9 >> 300 2 . 1 . . 6.950 . 1 1 1 49 TRP HH2 . . . . . . 736 . 18863 9 >> 339 1 . 1 . . 1.555 . 1 1 1 54 ARG HG2 . . . . . . 638 . 18863 9 >> 339 2 . 1 . . 2.857 . 1 1 1 54 ARG HD3 . . . . . . 643 . 18863 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-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 $methanol_CN _Sample_conditions_label $methanol_25c _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 18863 >> _Spectral_peak_list.ID 10 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $methanol_CN >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $methanol_25c >> _Spectral_peak_list.Experiment_ID 18 >> _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 . 4001.828 . . . 18863 10 >> 2 C 13 13C . 4250.000 . . . 18863 10 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 18863 10 >> 2 1.0 . 18863 10 >> 3 1.0 . 18863 10 >> 4 1.0 . 18863 10 >> 5 1.0 . 18863 10 >> 6 1.0 . 18863 10 >> 7 1.0 . 18863 10 >> 8 1.0 . 18863 10 >> 9 1.0 . 18863 10 >> 10 1.0 . 18863 10 >> 11 1.0 . 18863 10 >> 12 1.0 . 18863 10 >> 13 1.0 . 18863 10 >> 14 1.0 . 18863 10 >> 15 1.0 . 18863 10 >> 16 1.0 . 18863 10 >> 17 1.0 . 18863 10 >> 18 1.0 . 18863 10 >> 19 1.0 . 18863 10 >> 20 1.0 . 18863 10 >> 21 1.0 . 18863 10 >> 22 1.0 . 18863 10 >> 23 1.0 . 18863 10 >> 24 1.0 . 18863 10 >> 25 1.0 . 18863 10 >> 26 1.0 . 18863 10 >> 27 1.0 . 18863 10 >> 28 1.0 . 18863 10 >> 29 1.0 . 18863 10 >> 30 1.0 . 18863 10 >> 31 1.0 . 18863 10 >> 32 1.0 . 18863 10 >> 33 1.0 . 18863 10 >> 34 1.0 . 18863 10 >> 35 1.0 . 18863 10 >> 36 1.0 . 18863 10 >> 37 1.0 . 18863 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 4360094.0000000 . height 18863 10 >> 1 34289985.2500000 . volume 18863 10 >> 2 -2455498.2500000 . height 18863 10 >> 2 -19836839.2500000 . volume 18863 10 >> 3 -5397026.5000000 . height 18863 10 >> 3 -41356797.0000000 . volume 18863 10 >> 4 -2003011.5000000 . height 18863 10 >> 4 -14924733.3750000 . volume 18863 10 >> 5 2750330.5000000 . height 18863 10 >> 5 21202969.5000000 . volume 18863 10 >> 6 -68478.9531250 . height 18863 10 >> 6 -1169833.8261700 . volume 18863 10 >> 7 44181.8710938 . height 18863 10 >> 7 -1517963.8476600 . volume 18863 10 >> 8 -103992.3515620 . height 18863 10 >> 8 -943596.8867190 . volume 18863 10 >> 9 125404.0625000 . height 18863 10 >> 9 1659032.3007800 . volume 18863 10 >> 10 202599.5312500 . height 18863 10 >> 10 3045678.2343800 . volume 18863 10 >> 11 255796.1093750 . height 18863 10 >> 11 525379.7968750 . volume 18863 10 >> 12 -105092.1953120 . height 18863 10 >> 12 -267316.4687500 . volume 18863 10 >> 13 186524.5468750 . height 18863 10 >> 13 1286827.5820300 . volume 18863 10 >> 14 -16604.8652344 . height 18863 10 >> 14 -216480.5825200 . volume 18863 10 >> 15 -224672.4375000 . height 18863 10 >> 15 -1166827.4101600 . volume 18863 10 >> 16 -467333.0312500 . height 18863 10 >> 16 -1572171.3515600 . volume 18863 10 >> 17 33462.2890625 . height 18863 10 >> 17 18368.4306641 . volume 18863 10 >> 18 1485452.0000000 . height 18863 10 >> 18 11841456.5000000 . volume 18863 10 >> 19 1868593.8750000 . height 18863 10 >> 19 14161657.6250000 . volume 18863 10 >> 20 10734531.0000000 . height 18863 10 >> 20 90156054.0000000 . volume 18863 10 >> 21 26242322.0000000 . height 18863 10 >> 21 219458456.0000000 . volume 18863 10 >> 22 9415615.0000000 . height 18863 10 >> 22 89036794.5000000 . volume 18863 10 >> 23 16310630.0000000 . height 18863 10 >> 23 147806856.0000000 . volume 18863 10 >> 24 1867638.2500000 . height 18863 10 >> 24 16157126.2500000 . volume 18863 10 >> 25 1336026.1250000 . height 18863 10 >> 25 8150413.6250000 . volume 18863 10 >> 26 6045692.5000000 . height 18863 10 >> 26 54240151.5000000 . volume 18863 10 >> 27 4363090.0000000 . height 18863 10 >> 27 35096437.2500000 . volume 18863 10 >> 28 6310158.5000000 . height 18863 10 >> 28 53051154.0000000 . volume 18863 10 >> 29 8784261.0000000 . height 18863 10 >> 29 74977011.0000000 . volume 18863 10 >> 30 15375540.0000000 . height 18863 10 >> 30 139518880.0000000 . volume 18863 10 >> 31 2225279.7500000 . height 18863 10 >> 31 19338600.7500000 . volume 18863 10 >> 32 2055755.2500000 . height 18863 10 >> 32 17647068.1250000 . volume 18863 10 >> 33 1528314.2500000 . height 18863 10 >> 33 15004019.6250000 . volume 18863 10 >> 34 1051102.3750000 . height 18863 10 >> 34 8363381.1562500 . volume 18863 10 >> 35 921645.2500000 . height 18863 10 >> 35 8368531.6875000 . volume 18863 10 >> 36 1029411.6250000 . height 18863 10 >> 36 7959746.6875000 . volume 18863 10 >> 37 977135.9375000 . height 18863 10 >> 37 7480968.0000000 . volume 18863 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 7.230 . . . . . . . . . . . . 8 18863 10 >> 1 2 115.236 . . . . . . . . . . . . 8 18863 10 >> 2 1 7.351 . . . . . . . . . . . . 8 18863 10 >> 2 2 121.202 . . . . . . . . . . . . 8 18863 10 >> 3 1 7.075 . . . . . . . . . . . . 8 18863 10 >> 3 2 127.438 . . . . . . . . . . . . 8 18863 10 >> 4 1 6.643 . . . . . . . . . . . . 8 18863 10 >> 4 2 127.444 . . . . . . . . . . . . 8 18863 10 >> 5 1 8.599 . . . . . . . . . . . . 8 18863 10 >> 5 2 138.016 . . . . . . . . . . . . 8 18863 10 >> 18 1 7.117 . . . . . . . . . . . . 8 18863 10 >> 18 2 132.008 . . . . . . . . . . . . 8 18863 10 >> 19 1 7.062 . . . . . . . . . . . . 8 18863 10 >> 19 2 133.122 . . . . . . . . . . . . 8 18863 10 >> 20 1 6.943 . . . . . . . . . . . . 8 18863 10 >> 20 2 134.007 . . . . . . . . . . . . 8 18863 10 >> 21 1 6.588 . . . . . . . . . . . . 8 18863 10 >> 21 2 118.914 . . . . . . . . . . . . 8 18863 10 >> 22 1 6.973 . . . . . . . . . . . . 8 18863 10 >> 22 2 133.968 . . . . . . . . . . . . 8 18863 10 >> 23 1 6.570 . . . . . . . . . . . . 8 18863 10 >> 23 2 118.912 . . . . . . . . . . . . 8 18863 10 >> 24 1 6.825 . . . . . . . . . . . . 8 18863 10 >> 24 2 132.977 . . . . . . . . . . . . 8 18863 10 >> 25 1 6.981 . . . . . . . . . . . . 8 18863 10 >> 25 2 131.976 . . . . . . . . . . . . 8 18863 10 >> 26 1 6.923 . . . . . . . . . . . . 8 18863 10 >> 26 2 134.004 . . . . . . . . . . . . 8 18863 10 >> 27 1 7.098 . . . . . . . . . . . . 8 18863 10 >> 27 2 134.264 . . . . . . . . . . . . 8 18863 10 >> 28 1 6.638 . . . . . . . . . . . . 8 18863 10 >> 28 2 119.025 . . . . . . . . . . . . 8 18863 10 >> 29 1 6.896 . . . . . . . . . . . . 8 18863 10 >> 29 2 133.998 . . . . . . . . . . . . 8 18863 10 >> 30 1 6.573 . . . . . . . . . . . . 8 18863 10 >> 30 2 118.841 . . . . . . . . . . . . 8 18863 10 >> 31 1 7.213 . . . . . . . . . . . . 8 18863 10 >> 31 2 115.189 . . . . . . . . . . . . 8 18863 10 >> 32 1 6.984 . . . . . . . . . . . . 8 18863 10 >> 32 2 125.301 . . . . . . . . . . . . 8 18863 10 >> 33 1 6.967 . . . . . . . . . . . . 8 18863 10 >> 33 2 125.249 . . . . . . . . . . . . 8 18863 10 >> 34 1 6.876 . . . . . . . . . . . . 8 18863 10 >> 34 2 122.606 . . . . . . . . . . . . 8 18863 10 >> 35 1 6.854 . . . . . . . . . . . . 8 18863 10 >> 35 2 122.671 . . . . . . . . . . . . 8 18863 10 >> 36 1 7.105 . . . . . . . . . . . . 8 18863 10 >> 36 2 133.141 . . . . . . . . . . . . 8 18863 10 >> 37 1 7.019 . . . . . . . . . . . . 8 18863 10 >> 37 2 133.020 . . . . . . . . . . . . 8 18863 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 . . 7.230 . 1 1 1 67 TRP HZ2 . . . . . . 730 . 18863 10 >> 1 2 . 1 . . 115.236 . 1 1 1 67 TRP CZ2 . . . . . . 731 . 18863 10 >> 2 1 . 1 . . 7.351 . 1 1 1 36 HIS HD2 . . . . . . 477 . 18863 10 >> 2 2 . 1 . . 121.202 . 1 1 1 36 HIS CD2 . . . . . . 478 . 18863 10 >> 3 1 . 1 . . 7.075 . 1 1 1 67 TRP HD1 . . . . . . 483 . 18863 10 >> 3 2 . 1 . . 127.438 . 1 1 1 67 TRP CD1 . . . . . . 484 . 18863 10 >> 4 1 . 1 . . 6.643 . 1 1 1 49 TRP HD1 . . . . . . 481 . 18863 10 >> 4 2 . 1 . . 127.444 . 1 1 1 49 TRP CD1 . . . . . . 482 . 18863 10 >> 5 1 . 1 . . 8.599 . 1 1 1 36 HIS HE1 . . . . . . 479 . 18863 10 >> 5 2 . 1 . . 138.016 . 1 1 1 36 HIS CE1 . . . . . . 480 . 18863 10 >> 18 1 . 1 . . 7.117 . 1 1 1 41 PHE QD . . . . . . 625 . 18863 10 >> 18 2 . 1 . . 132.008 . 1 1 1 41 PHE CD1 . . . . . . 626 . 18863 10 >> 19 1 . 1 . . 7.062 . 1 1 1 41 PHE QE . . . . . . 627 . 18863 10 >> 19 2 . 1 . . 133.122 . 1 1 1 41 PHE CE1 . . . . . . 628 . 18863 10 >> 20 1 . 1 . . 6.943 . 1 1 1 50 TYR QD . . . . . . 633 . 18863 10 >> 20 2 . 1 . . 134.007 . 1 1 1 50 TYR CD1 . . . . . . 634 . 18863 10 >> 21 1 . 1 . . 6.588 . 1 1 1 50 TYR QE . . . . . . 635 . 18863 10 >> 21 2 . 1 . . 118.914 . 1 1 1 50 TYR CE1 . . . . . . 636 . 18863 10 >> 22 1 . 1 . . 6.973 . 1 1 1 61 TYR QD . . . . . . 665 . 18863 10 >> 22 2 . 1 . . 133.968 . 1 1 1 61 TYR CD1 . . . . . . 666 . 18863 10 >> 23 1 . 1 . . 6.570 . 1 1 1 61 TYR QE . . . . . . 667 . 18863 10 >> 23 2 . 1 . . 118.912 . 1 1 1 61 TYR CE1 . . . . . . 668 . 18863 10 >> 24 1 . 1 . . 6.825 . 1 1 1 63 PHE QD . . . . . . 670 . 18863 10 >> 24 2 . 1 . . 132.977 . 1 1 1 63 PHE CD1 . . . . . . 671 . 18863 10 >> 25 1 . 1 . . 6.981 . 1 1 1 63 PHE QE . . . . . . 672 . 18863 10 >> 25 2 . 1 . . 131.976 . 1 1 1 63 PHE CE1 . . . . . . 673 . 18863 10 >> 26 1 . 1 . . 6.923 . 1 1 1 63 PHE HZ . . . . . . 674 . 18863 10 >> 26 2 . 1 . . 134.004 . 1 1 1 63 PHE CZ . . . . . . 675 . 18863 10 >> 27 1 . 1 . . 7.098 . 1 1 1 64 TYR QD . . . . . . 678 . 18863 10 >> 27 2 . 1 . . 134.264 . 1 1 1 64 TYR CD1 . . . . . . 679 . 18863 10 >> 28 1 . 1 . . 6.638 . 1 1 1 64 TYR QE . . . . . . 680 . 18863 10 >> 28 2 . 1 . . 119.025 . 1 1 1 64 TYR CE1 . . . . . . 681 . 18863 10 >> 29 1 . 1 . . 6.896 . 1 1 1 81 TYR QD . . . . . . 722 . 18863 10 >> 29 2 . 1 . . 133.998 . 1 1 1 81 TYR CD1 . . . . . . 723 . 18863 10 >> 30 1 . 1 . . 6.573 . 1 1 1 81 TYR QE . . . . . . 724 . 18863 10 >> 30 2 . 1 . . 118.841 . 1 1 1 81 TYR CE1 . . . . . . 725 . 18863 10 >> 31 1 . 1 . . 7.213 . 1 1 1 49 TRP HZ2 . . . . . . 732 . 18863 10 >> 31 2 . 1 . . 115.189 . 1 1 1 49 TRP CZ2 . . . . . . 733 . 18863 10 >> 32 1 . 1 . . 6.984 . 1 1 1 67 TRP HH2 . . . . . . 734 . 18863 10 >> 32 2 . 1 . . 125.301 . 1 1 1 67 TRP CH2 . . . . . . 735 . 18863 10 >> 33 1 . 1 . . 6.967 . 1 1 1 49 TRP HH2 . . . . . . 736 . 18863 10 >> 33 2 . 1 . . 125.249 . 1 1 1 49 TRP CH2 . . . . . . 737 . 18863 10 >> 34 1 . 1 . . 6.876 . 1 1 1 49 TRP HZ3 . . . . . . 738 . 18863 10 >> 34 2 . 1 . . 122.606 . 1 1 1 49 TRP CZ3 . . . . . . 739 . 18863 10 >> 35 1 . 1 . . 6.854 . 1 1 1 67 TRP HZ3 . . . . . . 740 . 18863 10 >> 35 2 . 1 . . 122.671 . 1 1 1 67 TRP CZ3 . . . . . . 741 . 18863 10 >> 36 1 . 2 . . 7.105 . 1 1 1 45 PHE QD . . . . . . 755 . 18863 10 >> 36 2 . 1 . . 133.141 . 1 1 1 45 PHE CD1 . . . . . . 757 . 18863 10 >> 37 1 . 1 . . 7.019 . 1 1 1 45 PHE QE . . . . . . 756 . 18863 10 >> 37 2 . 1 . . 133.020 . 1 1 1 45 PHE CE1 . . . . . . 758 . 18863 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 '3D 1H-15N NOESY' _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 $methanol_N _Sample_conditions_label $methanol_25c _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 18863 >> _Spectral_peak_list.ID 11 >> _Spectral_peak_list.Sample_ID 2 >> _Spectral_peak_list.Sample_label $methanol_N >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $methanol_25c >> _Spectral_peak_list.Experiment_ID 20 >> _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' >> _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 . 4126.393 . . . 18863 11 >> 2 H 1 1H . 8250.000 . . . 18863 11 >> 3 N 15 15N . 2000.000 . . . 18863 11 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 18863 11 >> 2 1.0 . 18863 11 >> 3 1.0 . 18863 11 >> 4 1.0 . 18863 11 >> 5 1.0 . 18863 11 >> 6 1.0 . 18863 11 >> 7 1.0 . 18863 11 >> 8 1.0 . 18863 11 >> 9 1.0 . 18863 11 >> 10 1.0 . 18863 11 >> 11 1.0 . 18863 11 >> 12 1.0 . 18863 11 >> 13 1.0 . 18863 11 >> 14 1.0 . 18863 11 >> 15 1.0 . 18863 11 >> 16 1.0 . 18863 11 >> 17 1.0 . 18863 11 >> 18 1.0 . 18863 11 >> 19 1.0 . 18863 11 >> 20 1.0 . 18863 11 >> 21 1.0 . 18863 11 >> 22 1.0 . 18863 11 >> 23 1.0 . 18863 11 >> 24 1.0 . 18863 11 >> 25 1.0 . 18863 11 >> 26 1.0 . 18863 11 >> 27 1.0 . 18863 11 >> 28 1.0 . 18863 11 >> 29 1.0 . 18863 11 >> 30 1.0 . 18863 11 >> 31 1.0 . 18863 11 >> 32 1.0 . 18863 11 >> 33 1.0 . 18863 11 >> 34 1.0 . 18863 11 >> 35 1.0 . 18863 11 >> 36 1.0 . 18863 11 >> 37 1.0 . 18863 11 >> 38 1.0 . 18863 11 >> 39 1.0 . 18863 11 >> 40 1.0 . 18863 11 >> 41 1.0 . 18863 11 >> 42 1.0 . 18863 11 >> 43 1.0 . 18863 11 >> 44 1.0 . 18863 11 >> 45 1.0 . 18863 11 >> 46 1.0 . 18863 11 >> 47 1.0 . 18863 11 >> 48 1.0 . 18863 11 >> 49 1.0 . 18863 11 >> 50 1.0 . 18863 11 >> 51 1.0 . 18863 11 >> 52 1.0 . 18863 11 >> 53 1.0 . 18863 11 >> 54 1.0 . 18863 11 >> 55 1.0 . 18863 11 >> 56 1.0 . 18863 11 >> 57 1.0 . 18863 11 >> 58 1.0 . 18863 11 >> 59 1.0 . 18863 11 >> 60 1.0 . 18863 11 >> 61 1.0 . 18863 11 >> 62 1.0 . 18863 11 >> 63 1.0 . 18863 11 >> 64 1.0 . 18863 11 >> 65 1.0 . 18863 11 >> 66 1.0 . 18863 11 >> 67 1.0 . 18863 11 >> 68 1.0 . 18863 11 >> 69 1.0 . 18863 11 >> 70 1.0 . 18863 11 >> 71 1.0 . 18863 11 >> 72 1.0 . 18863 11 >> 73 1.0 . 18863 11 >> 74 1.0 . 18863 11 >> 75 1.0 . 18863 11 >> 76 1.0 . 18863 11 >> 77 1.0 . 18863 11 >> 78 1.0 . 18863 11 >> 79 1.0 . 18863 11 >> 80 1.0 . 18863 11 >> 81 1.0 . 18863 11 >> 82 1.0 . 18863 11 >> 83 1.0 . 18863 11 >> 84 1.0 . 18863 11 >> 85 1.0 . 18863 11 >> 86 1.0 . 18863 11 >> 87 1.0 . 18863 11 >> 88 1.0 . 18863 11 >> 89 1.0 . 18863 11 >> 90 1.0 . 18863 11 >> 91 1.0 . 18863 11 >> 92 1.0 . 18863 11 >> 93 1.0 . 18863 11 >> 94 1.0 . 18863 11 >> 95 1.0 . 18863 11 >> 96 1.0 . 18863 11 >> 97 1.0 . 18863 11 >> 98 1.0 . 18863 11 >> 99 1.0 . 18863 11 >> 100 1.0 . 18863 11 >> 101 1.0 . 18863 11 >> 102 1.0 . 18863 11 >> 103 1.0 . 18863 11 >> 104 1.0 . 18863 11 >> 105 1.0 . 18863 11 >> 106 1.0 . 18863 11 >> 107 1.0 . 18863 11 >> 108 1.0 . 18863 11 >> 109 1.0 . 18863 11 >> 110 1.0 . 18863 11 >> 111 1.0 . 18863 11 >> 112 1.0 . 18863 11 >> 113 1.0 . 18863 11 >> 114 1.0 . 18863 11 >> 115 1.0 . 18863 11 >> 116 1.0 . 18863 11 >> 117 1.0 . 18863 11 >> 118 1.0 . 18863 11 >> 119 1.0 . 18863 11 >> 120 1.0 . 18863 11 >> 121 1.0 . 18863 11 >> 122 1.0 . 18863 11 >> 123 1.0 . 18863 11 >> 124 1.0 . 18863 11 >> 125 1.0 . 18863 11 >> 126 1.0 . 18863 11 >> 127 1.0 . 18863 11 >> 128 1.0 . 18863 11 >> 129 1.0 . 18863 11 >> 130 1.0 . 18863 11 >> 131 1.0 . 18863 11 >> 132 1.0 . 18863 11 >> 133 1.0 . 18863 11 >> 134 1.0 . 18863 11 >> 135 1.0 . 18863 11 >> 136 1.0 . 18863 11 >> 137 1.0 . 18863 11 >> 138 1.0 . 18863 11 >> 139 1.0 . 18863 11 >> 140 1.0 . 18863 11 >> 141 1.0 . 18863 11 >> 142 1.0 . 18863 11 >> 143 1.0 . 18863 11 >> 144 1.0 . 18863 11 >> 145 1.0 . 18863 11 >> 146 1.0 . 18863 11 >> 147 1.0 . 18863 11 >> 148 1.0 . 18863 11 >> 149 1.0 . 18863 11 >> 150 1.0 . 18863 11 >> 151 1.0 . 18863 11 >> 152 1.0 . 18863 11 >> 153 1.0 . 18863 11 >> 154 1.0 . 18863 11 >> 155 1.0 . 18863 11 >> 156 1.0 . 18863 11 >> 157 1.0 . 18863 11 >> 158 1.0 . 18863 11 >> 159 1.0 . 18863 11 >> 160 1.0 . 18863 11 >> 161 1.0 . 18863 11 >> 162 1.0 . 18863 11 >> 163 1.0 . 18863 11 >> 164 1.0 . 18863 11 >> 165 1.0 . 18863 11 >> 166 1.0 . 18863 11 >> 167 1.0 . 18863 11 >> 168 1.0 . 18863 11 >> 169 1.0 . 18863 11 >> 170 1.0 . 18863 11 >> 171 1.0 . 18863 11 >> 172 1.0 . 18863 11 >> 173 1.0 . 18863 11 >> 174 1.0 . 18863 11 >> 175 1.0 . 18863 11 >> 176 1.0 . 18863 11 >> 177 1.0 . 18863 11 >> 178 1.0 . 18863 11 >> 179 1.0 . 18863 11 >> 180 1.0 . 18863 11 >> 181 1.0 . 18863 11 >> 182 1.0 . 18863 11 >> 183 1.0 . 18863 11 >> 184 1.0 . 18863 11 >> 185 1.0 . 18863 11 >> 186 1.0 . 18863 11 >> 187 1.0 . 18863 11 >> 188 1.0 . 18863 11 >> 189 1.0 . 18863 11 >> 190 1.0 . 18863 11 >> 191 1.0 . 18863 11 >> 192 1.0 . 18863 11 >> 193 1.0 . 18863 11 >> 194 1.0 . 18863 11 >> 195 1.0 . 18863 11 >> 196 1.0 . 18863 11 >> 197 1.0 . 18863 11 >> 198 1.0 . 18863 11 >> 199 1.0 . 18863 11 >> 200 1.0 . 18863 11 >> 201 1.0 . 18863 11 >> 202 1.0 . 18863 11 >> 203 1.0 . 18863 11 >> 204 1.0 . 18863 11 >> 205 1.0 . 18863 11 >> 206 1.0 . 18863 11 >> 207 1.0 . 18863 11 >> 208 1.0 . 18863 11 >> 209 1.0 . 18863 11 >> 210 1.0 . 18863 11 >> 211 1.0 . 18863 11 >> 212 1.0 . 18863 11 >> 213 1.0 . 18863 11 >> 214 1.0 . 18863 11 >> 215 1.0 . 18863 11 >> 216 1.0 . 18863 11 >> 217 1.0 . 18863 11 >> 218 1.0 . 18863 11 >> 219 1.0 . 18863 11 >> 220 1.0 . 18863 11 >> 221 1.0 . 18863 11 >> 222 1.0 . 18863 11 >> 223 1.0 . 18863 11 >> 224 1.0 . 18863 11 >> 225 1.0 . 18863 11 >> 226 1.0 . 18863 11 >> 227 1.0 . 18863 11 >> 228 1.0 . 18863 11 >> 229 1.0 . 18863 11 >> 230 1.0 . 18863 11 >> 231 1.0 . 18863 11 >> 232 1.0 . 18863 11 >> 233 1.0 . 18863 11 >> 234 1.0 . 18863 11 >> 235 1.0 . 18863 11 >> 236 1.0 . 18863 11 >> 237 1.0 . 18863 11 >> 238 1.0 . 18863 11 >> 239 1.0 . 18863 11 >> 240 1.0 . 18863 11 >> 241 1.0 . 18863 11 >> 242 1.0 . 18863 11 >> 243 1.0 . 18863 11 >> 244 1.0 . 18863 11 >> 245 1.0 . 18863 11 >> 246 1.0 . 18863 11 >> 247 1.0 . 18863 11 >> 248 1.0 . 18863 11 >> 249 1.0 . 18863 11 >> 250 1.0 . 18863 11 >> 251 1.0 . 18863 11 >> 252 1.0 . 18863 11 >> 253 1.0 . 18863 11 >> 254 1.0 . 18863 11 >> 255 1.0 . 18863 11 >> 256 1.0 . 18863 11 >> 257 1.0 . 18863 11 >> 258 1.0 . 18863 11 >> 259 1.0 . 18863 11 >> 260 1.0 . 18863 11 >> 261 1.0 . 18863 11 >> 262 1.0 . 18863 11 >> 263 1.0 . 18863 11 >> 264 1.0 . 18863 11 >> 265 1.0 . 18863 11 >> 266 1.0 . 18863 11 >> 267 1.0 . 18863 11 >> 268 1.0 . 18863 11 >> 269 1.0 . 18863 11 >> 270 1.0 . 18863 11 >> 271 1.0 . 18863 11 >> 272 1.0 . 18863 11 >> 273 1.0 . 18863 11 >> 274 1.0 . 18863 11 >> 275 1.0 . 18863 11 >> 276 1.0 . 18863 11 >> 277 1.0 . 18863 11 >> 278 1.0 . 18863 11 >> 279 1.0 . 18863 11 >> 280 1.0 . 18863 11 >> 281 1.0 . 18863 11 >> 282 1.0 . 18863 11 >> 283 1.0 . 18863 11 >> 284 1.0 . 18863 11 >> 285 1.0 . 18863 11 >> 286 1.0 . 18863 11 >> 287 1.0 . 18863 11 >> 288 1.0 . 18863 11 >> 289 1.0 . 18863 11 >> 290 1.0 . 18863 11 >> 291 1.0 . 18863 11 >> 292 1.0 . 18863 11 >> 293 1.0 . 18863 11 >> 294 1.0 . 18863 11 >> 295 1.0 . 18863 11 >> 296 1.0 . 18863 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 109370.8593750 . height 18863 11 >> 1 1666240.6328100 . volume 18863 11 >> 2 87379.5390625 . height 18863 11 >> 2 947255.0080870 . volume 18863 11 >> 3 135676.0468750 . height 18863 11 >> 3 1710551.2695300 . volume 18863 11 >> 4 71699.1640625 . height 18863 11 >> 4 942836.7832490 . volume 18863 11 >> 5 84294.1562500 . height 18863 11 >> 5 1114474.3872100 . volume 18863 11 >> 6 85414.5937500 . height 18863 11 >> 6 1154212.2036100 . volume 18863 11 >> 7 98775.4765625 . height 18863 11 >> 7 1396378.4514200 . volume 18863 11 >> 8 121306.0312500 . height 18863 11 >> 8 1779597.1445300 . volume 18863 11 >> 9 160020.3906250 . height 18863 11 >> 9 2399711.2851600 . volume 18863 11 >> 10 206217.2343750 . height 18863 11 >> 10 3002247.9668000 . volume 18863 11 >> 11 198483.0781250 . height 18863 11 >> 11 2778271.6015600 . volume 18863 11 >> 12 131995.5156250 . height 18863 11 >> 12 1963259.5703100 . volume 18863 11 >> 13 191831.8906250 . height 18863 11 >> 13 2964118.1484400 . volume 18863 11 >> 14 82483.7968750 . height 18863 11 >> 14 1266698.6064500 . volume 18863 11 >> 15 75610.5078125 . height 18863 11 >> 15 1111371.5878900 . volume 18863 11 >> 16 96371.1171875 . height 18863 11 >> 16 1467887.9052700 . volume 18863 11 >> 17 172684.3281250 . height 18863 11 >> 17 2686907.2265600 . volume 18863 11 >> 18 292210.5312500 . height 18863 11 >> 18 4027128.1875000 . volume 18863 11 >> 19 193175.0312500 . height 18863 11 >> 19 3553221.6669900 . volume 18863 11 >> 20 197493.8906250 . height 18863 11 >> 20 2445801.0371100 . volume 18863 11 >> 21 121504.8515620 . height 18863 11 >> 21 1877249.2890600 . volume 18863 11 >> 22 73148.0703125 . height 18863 11 >> 22 860967.1596680 . volume 18863 11 >> 23 114852.7265620 . height 18863 11 >> 23 1825565.2832000 . volume 18863 11 >> 24 188539.2812500 . height 18863 11 >> 24 2622630.9455000 . volume 18863 11 >> 25 133904.2656250 . height 18863 11 >> 25 1524061.6015600 . volume 18863 11 >> 26 55707.3476562 . height 18863 11 >> 26 624066.4145510 . volume 18863 11 >> 27 94516.8984375 . height 18863 11 >> 27 1239455.5976600 . volume 18863 11 >> 28 268732.3437500 . height 18863 11 >> 28 3912825.6054700 . volume 18863 11 >> 29 226102.6250000 . height 18863 11 >> 29 3167842.6308600 . volume 18863 11 >> 30 226922.6718750 . height 18863 11 >> 30 2920583.0253900 . volume 18863 11 >> 31 184262.6093750 . height 18863 11 >> 31 2974924.4511700 . volume 18863 11 >> 32 156289.4375000 . height 18863 11 >> 32 2232278.0253900 . volume 18863 11 >> 33 130348.7812500 . height 18863 11 >> 33 1572539.1217300 . volume 18863 11 >> 34 76223.5234375 . height 18863 11 >> 34 1430714.3969700 . volume 18863 11 >> 35 402738.0000000 . height 18863 11 >> 35 5805596.6250000 . volume 18863 11 >> 36 83900.9687500 . height 18863 11 >> 36 1278376.9414100 . volume 18863 11 >> 37 187306.7968750 . height 18863 11 >> 37 2619911.1132800 . volume 18863 11 >> 38 83395.9453125 . height 18863 11 >> 38 1273613.1284200 . volume 18863 11 >> 39 76477.0937500 . height 18863 11 >> 39 1103062.6538100 . volume 18863 11 >> 40 83181.5781250 . height 18863 11 >> 40 1235154.3496100 . volume 18863 11 >> 41 189435.0156250 . height 18863 11 >> 41 3121801.0507800 . volume 18863 11 >> 42 154747.7500000 . height 18863 11 >> 42 2275031.6015600 . volume 18863 11 >> 43 44995.1093750 . height 18863 11 >> 43 564665.6698610 . volume 18863 11 >> 44 132961.0937500 . height 18863 11 >> 44 2111537.4062500 . volume 18863 11 >> 45 87911.7890625 . height 18863 11 >> 45 1109340.5595700 . volume 18863 11 >> 46 211938.4687500 . height 18863 11 >> 46 3278529.9023400 . volume 18863 11 >> 47 243491.1406250 . height 18863 11 >> 47 3745525.0781200 . volume 18863 11 >> 48 66528.1093750 . height 18863 11 >> 48 995602.8457030 . volume 18863 11 >> 49 93997.2265625 . height 18863 11 >> 49 1221559.1093800 . volume 18863 11 >> 50 72823.4765625 . height 18863 11 >> 50 956004.3056640 . volume 18863 11 >> 51 296521.9062500 . height 18863 11 >> 51 4009554.5625000 . volume 18863 11 >> 52 248384.7656250 . height 18863 11 >> 52 3933776.5957000 . volume 18863 11 >> 53 77995.7968750 . height 18863 11 >> 53 1064081.2675800 . volume 18863 11 >> 54 159651.8437500 . height 18863 11 >> 54 2580637.6258500 . volume 18863 11 >> 55 92858.0468750 . height 18863 11 >> 55 1280557.2426800 . volume 18863 11 >> 56 75513.0000000 . height 18863 11 >> 56 1075954.6591800 . volume 18863 11 >> 57 56850.6523438 . height 18863 11 >> 57 924552.9189450 . volume 18863 11 >> 58 187682.0000000 . height 18863 11 >> 58 3394573.4375000 . volume 18863 11 >> 59 130500.3750000 . height 18863 11 >> 59 1869855.9834000 . volume 18863 11 >> 60 234708.9687500 . height 18863 11 >> 60 3373520.8515600 . volume 18863 11 >> 61 87456.7343750 . height 18863 11 >> 61 1113150.9394500 . volume 18863 11 >> 62 101533.4062500 . height 18863 11 >> 62 902788.9853520 . volume 18863 11 >> 63 200217.6875000 . height 18863 11 >> 63 4315573.8164100 . volume 18863 11 >> 64 87373.5234375 . height 18863 11 >> 64 1048193.7952900 . volume 18863 11 >> 65 87761.2343750 . height 18863 11 >> 65 1161455.4348100 . volume 18863 11 >> 66 149511.0000000 . height 18863 11 >> 66 2035917.1543000 . volume 18863 11 >> 67 116378.2421880 . height 18863 11 >> 67 1182007.7194500 . volume 18863 11 >> 68 199273.3437500 . height 18863 11 >> 68 3323299.8828100 . volume 18863 11 >> 69 104762.6093750 . height 18863 11 >> 69 1231069.1738300 . volume 18863 11 >> 70 196924.3437500 . height 18863 11 >> 70 2932776.6328100 . volume 18863 11 >> 71 157830.2812500 . height 18863 11 >> 71 2298112.5429700 . volume 18863 11 >> 72 142363.3281250 . height 18863 11 >> 72 1886554.1386700 . volume 18863 11 >> 73 426745.9062500 . height 18863 11 >> 73 6371434.9140600 . volume 18863 11 >> 74 182570.0156250 . height 18863 11 >> 74 2171748.0234400 . volume 18863 11 >> 75 300153.3125000 . height 18863 11 >> 75 5032811.8906200 . volume 18863 11 >> 76 178291.9062500 . height 18863 11 >> 76 2765807.5058600 . volume 18863 11 >> 77 175345.6718750 . height 18863 11 >> 77 2311849.5410200 . volume 18863 11 >> 78 281062.9062500 . height 18863 11 >> 78 3942037.2265600 . volume 18863 11 >> 79 133346.0312500 . height 18863 11 >> 79 2241972.4746100 . volume 18863 11 >> 80 101464.3671880 . height 18863 11 >> 80 1499216.7675800 . volume 18863 11 >> 81 67252.4296875 . height 18863 11 >> 81 823357.4912110 . volume 18863 11 >> 82 110841.8437500 . height 18863 11 >> 82 1247001.4622800 . volume 18863 11 >> 83 105235.5156250 . height 18863 11 >> 83 1561680.6738300 . volume 18863 11 >> 84 291269.4375000 . height 18863 11 >> 84 4214411.9960900 . volume 18863 11 >> 85 330637.6562500 . height 18863 11 >> 85 5149979.6796900 . volume 18863 11 >> 86 68524.7812500 . height 18863 11 >> 86 666110.6701660 . volume 18863 11 >> 87 78128.7187500 . height 18863 11 >> 87 1038661.6386700 . volume 18863 11 >> 88 254558.2187500 . height 18863 11 >> 88 3079470.3619100 . volume 18863 11 >> 89 175513.5468750 . height 18863 11 >> 89 3114372.0742200 . volume 18863 11 >> 90 279271.3750000 . height 18863 11 >> 90 3785432.2812500 . volume 18863 11 >> 91 89650.6171875 . height 18863 11 >> 91 1528303.6328100 . volume 18863 11 >> 92 87489.7734375 . height 18863 11 >> 92 1080236.2373000 . volume 18863 11 >> 93 192222.8125000 . height 18863 11 >> 93 2703673.4707000 . volume 18863 11 >> 94 218611.0468750 . height 18863 11 >> 94 2789003.7812500 . volume 18863 11 >> 95 236101.8593750 . height 18863 11 >> 95 2692791.5039100 . volume 18863 11 >> 96 240577.2187500 . height 18863 11 >> 96 2795661.7116100 . volume 18863 11 >> 97 261010.7343750 . height 18863 11 >> 97 3327321.1054700 . volume 18863 11 >> 98 411171.3125000 . height 18863 11 >> 98 5524893.2109400 . volume 18863 11 >> 99 164164.4531250 . height 18863 11 >> 99 2250310.6835900 . volume 18863 11 >> 100 98620.9296875 . height 18863 11 >> 100 1069146.1618700 . volume 18863 11 >> 101 44737.5820312 . height 18863 11 >> 101 365733.9204100 . volume 18863 11 >> 102 185001.0312500 . height 18863 11 >> 102 1734475.3673100 . volume 18863 11 >> 103 233063.3906250 . height 18863 11 >> 103 3190530.9843800 . volume 18863 11 >> 104 83651.0937500 . height 18863 11 >> 104 1184773.9824200 . volume 18863 11 >> 105 278131.3125000 . height 18863 11 >> 105 3800142.2695300 . volume 18863 11 >> 106 -12000.8740234 . height 18863 11 >> 106 -330651.8173830 . volume 18863 11 >> 107 454167.0937500 . height 18863 11 >> 107 6228018.0781200 . volume 18863 11 >> 108 134415.3125000 . height 18863 11 >> 108 1968021.3125000 . volume 18863 11 >> 109 226112.0625000 . height 18863 11 >> 109 2974904.4609400 . volume 18863 11 >> 110 66838.5078125 . height 18863 11 >> 110 1425008.1063200 . volume 18863 11 >> 111 27082.0175781 . height 18863 11 >> 111 872848.8144530 . volume 18863 11 >> 112 113399.8281250 . height 18863 11 >> 112 3137986.2226600 . volume 18863 11 >> 113 227224.3906250 . height 18863 11 >> 113 3021910.9033200 . volume 18863 11 >> 114 69203.3671875 . height 18863 11 >> 114 782372.3908690 . volume 18863 11 >> 115 326538.3750000 . height 18863 11 >> 115 4886941.0546900 . volume 18863 11 >> 116 44643.5820312 . height 18863 11 >> 116 1203287.7490200 . volume 18863 11 >> 117 55903.0156250 . height 18863 11 >> 117 900971.1230470 . volume 18863 11 >> 118 139433.7500000 . height 18863 11 >> 118 2245186.3359400 . volume 18863 11 >> 119 110935.6640620 . height 18863 11 >> 119 1386160.5722700 . volume 18863 11 >> 120 132886.1093750 . height 18863 11 >> 120 1795804.1430700 . volume 18863 11 >> 121 295246.5312500 . height 18863 11 >> 121 3533971.5273400 . volume 18863 11 >> 122 141699.5625000 . height 18863 11 >> 122 2428903.2109400 . volume 18863 11 >> 123 154883.0156250 . height 18863 11 >> 123 2320354.2187500 . volume 18863 11 >> 124 214702.4375000 . height 18863 11 >> 124 4008690.1171900 . volume 18863 11 >> 125 166068.2187500 . height 18863 11 >> 125 2387057.8984400 . volume 18863 11 >> 126 145813.5156250 . height 18863 11 >> 126 2336914.6543000 . volume 18863 11 >> 127 148188.6093750 . height 18863 11 >> 127 2253975.8125000 . volume 18863 11 >> 128 95688.6953125 . height 18863 11 >> 128 1427324.9804700 . volume 18863 11 >> 129 159052.6250000 . height 18863 11 >> 129 2052447.3457000 . volume 18863 11 >> 130 323827.9687500 . height 18863 11 >> 130 4524309.6289100 . volume 18863 11 >> 131 160367.0156250 . height 18863 11 >> 131 2458688.8828100 . volume 18863 11 >> 132 177563.7343750 . height 18863 11 >> 132 2350916.7667200 . volume 18863 11 >> 133 187597.3906250 . height 18863 11 >> 133 2763983.6645500 . volume 18863 11 >> 134 268900.5312500 . height 18863 11 >> 134 3553970.5097700 . volume 18863 11 >> 135 125355.4843750 . height 18863 11 >> 135 1792814.6132800 . volume 18863 11 >> 136 109670.3671880 . height 18863 11 >> 136 1390018.5351600 . volume 18863 11 >> 137 332492.6250000 . height 18863 11 >> 137 4886375.0312500 . volume 18863 11 >> 138 84006.3515625 . height 18863 11 >> 138 1128861.7900400 . volume 18863 11 >> 139 208519.0625000 . height 18863 11 >> 139 3025159.6484400 . volume 18863 11 >> 140 269338.6250000 . height 18863 11 >> 140 3926649.5898400 . volume 18863 11 >> 141 69329.1562500 . height 18863 11 >> 141 925958.0168460 . volume 18863 11 >> 142 107101.9843750 . height 18863 11 >> 142 1438896.7509800 . volume 18863 11 >> 143 60775.1054688 . height 18863 11 >> 143 806591.5146480 . volume 18863 11 >> 144 91801.6328125 . height 18863 11 >> 144 1330812.5293000 . volume 18863 11 >> 145 78962.9062500 . height 18863 11 >> 145 1289892.6386700 . volume 18863 11 >> 146 87944.9531250 . height 18863 11 >> 146 1449595.0429700 . volume 18863 11 >> 147 70475.6484375 . height 18863 11 >> 147 1161523.8837900 . volume 18863 11 >> 148 160874.4375000 . height 18863 11 >> 148 2549652.3281200 . volume 18863 11 >> 149 82762.8515625 . height 18863 11 >> 149 1320601.6953100 . volume 18863 11 >> 150 109542.5468750 . height 18863 11 >> 150 1468179.8960000 . volume 18863 11 >> 151 109632.5234380 . height 18863 11 >> 151 1814841.4882800 . volume 18863 11 >> 152 82346.3203125 . height 18863 11 >> 152 1537001.6972700 . volume 18863 11 >> 153 147916.4843750 . height 18863 11 >> 153 2214404.2832000 . volume 18863 11 >> 154 144229.2812500 . height 18863 11 >> 154 1910112.2126500 . volume 18863 11 >> 155 90679.9296875 . height 18863 11 >> 155 1494059.7656200 . volume 18863 11 >> 156 123380.3515620 . height 18863 11 >> 156 2408230.5078100 . volume 18863 11 >> 157 66486.5781250 . height 18863 11 >> 157 1125900.4863300 . volume 18863 11 >> 158 237947.2500000 . height 18863 11 >> 158 3485537.1835900 . volume 18863 11 >> 159 126142.4296880 . height 18863 11 >> 159 2007350.8750000 . volume 18863 11 >> 160 98927.8125000 . height 18863 11 >> 160 1640386.9589800 . volume 18863 11 >> 161 110779.0390620 . height 18863 11 >> 161 1862421.8398400 . volume 18863 11 >> 162 205925.6093750 . height 18863 11 >> 162 3323602.9179700 . volume 18863 11 >> 163 67962.4609375 . height 18863 11 >> 163 823837.0273670 . volume 18863 11 >> 164 92998.4218750 . height 18863 11 >> 164 1585843.6855500 . volume 18863 11 >> 165 81973.5078125 . height 18863 11 >> 165 926100.2060550 . volume 18863 11 >> 166 58956.4257812 . height 18863 11 >> 166 946771.3125000 . volume 18863 11 >> 167 54140.1367188 . height 18863 11 >> 167 619450.0722810 . volume 18863 11 >> 168 304438.5312500 . height 18863 11 >> 168 4471719.8750000 . volume 18863 11 >> 169 416247.1250000 . height 18863 11 >> 169 6416953.1562500 . volume 18863 11 >> 170 172666.5000000 . height 18863 11 >> 170 2446670.6328100 . volume 18863 11 >> 171 212353.5781250 . height 18863 11 >> 171 3512762.0898400 . volume 18863 11 >> 172 56829.5000000 . height 18863 11 >> 172 715686.8837890 . volume 18863 11 >> 173 244884.3750000 . height 18863 11 >> 173 3696830.9296900 . volume 18863 11 >> 174 114047.6015620 . height 18863 11 >> 174 1699506.5996100 . volume 18863 11 >> 175 57347.6289062 . height 18863 11 >> 175 671912.4813840 . volume 18863 11 >> 176 114569.3750000 . height 18863 11 >> 176 1833357.5312500 . volume 18863 11 >> 177 193052.6718750 . height 18863 11 >> 177 2679332.2578100 . volume 18863 11 >> 178 129104.4531250 . height 18863 11 >> 178 1974747.1093800 . volume 18863 11 >> 179 63054.1171875 . height 18863 11 >> 179 594153.0604250 . volume 18863 11 >> 180 118418.4375000 . height 18863 11 >> 180 1390387.0351600 . volume 18863 11 >> 181 101225.3281250 . height 18863 11 >> 181 1354087.0595700 . volume 18863 11 >> 182 75777.1015625 . height 18863 11 >> 182 1040592.3535200 . volume 18863 11 >> 183 251686.8437500 . height 18863 11 >> 183 3959846.0625000 . volume 18863 11 >> 184 123233.3906250 . height 18863 11 >> 184 2124458.9375000 . volume 18863 11 >> 185 126952.2968750 . height 18863 11 >> 185 2674521.1875000 . volume 18863 11 >> 186 142386.6093750 . height 18863 11 >> 186 2227958.8750000 . volume 18863 11 >> 187 274599.2500000 . height 18863 11 >> 187 4358832.3828100 . volume 18863 11 >> 188 87779.4531250 . height 18863 11 >> 188 994243.3847660 . volume 18863 11 >> 189 202875.9843750 . height 18863 11 >> 189 2837667.7070300 . volume 18863 11 >> 190 137354.5000000 . height 18863 11 >> 190 1587479.5995500 . volume 18863 11 >> 191 125253.0156250 . height 18863 11 >> 191 2223481.2070300 . volume 18863 11 >> 192 67160.5000000 . height 18863 11 >> 192 1175693.0234400 . volume 18863 11 >> 193 90882.5625000 . height 18863 11 >> 193 1472856.4335900 . volume 18863 11 >> 194 99370.1093750 . height 18863 11 >> 194 1380544.8422900 . volume 18863 11 >> 195 73120.1953125 . height 18863 11 >> 195 1054127.0585900 . volume 18863 11 >> 196 82117.2812500 . height 18863 11 >> 196 1580305.4697300 . volume 18863 11 >> 197 136817.7656250 . height 18863 11 >> 197 1953855.8671900 . volume 18863 11 >> 198 235104.3125000 . height 18863 11 >> 198 4086241.5234400 . volume 18863 11 >> 199 121701.7187500 . height 18863 11 >> 199 1955821.4277300 . volume 18863 11 >> 200 119562.7812500 . height 18863 11 >> 200 1799580.2041000 . volume 18863 11 >> 201 72732.1640625 . height 18863 11 >> 201 1272115.1113300 . volume 18863 11 >> 202 103408.7421880 . height 18863 11 >> 202 1542347.5385700 . volume 18863 11 >> 203 92144.3593750 . height 18863 11 >> 203 1495435.3046900 . volume 18863 11 >> 204 87656.4375000 . height 18863 11 >> 204 1417191.3261700 . volume 18863 11 >> 205 244688.2656250 . height 18863 11 >> 205 4126010.9765600 . volume 18863 11 >> 206 272945.3750000 . height 18863 11 >> 206 4155078.8437500 . volume 18863 11 >> 207 104244.8593750 . height 18863 11 >> 207 1447811.5351600 . volume 18863 11 >> 208 90004.1015625 . height 18863 11 >> 208 1955560.6015600 . volume 18863 11 >> 209 117237.4531250 . height 18863 11 >> 209 1747398.2739300 . volume 18863 11 >> 210 106355.9765620 . height 18863 11 >> 210 1234857.0742200 . volume 18863 11 >> 211 160851.5312500 . height 18863 11 >> 211 2547737.5468800 . volume 18863 11 >> 212 87340.7890625 . height 18863 11 >> 212 1282978.7959000 . volume 18863 11 >> 213 60557.8085938 . height 18863 11 >> 213 762935.5493160 . volume 18863 11 >> 214 97118.9609375 . height 18863 11 >> 214 1763829.9677700 . volume 18863 11 >> 215 85117.4453125 . height 18863 11 >> 215 1180842.3691400 . volume 18863 11 >> 216 245656.3125000 . height 18863 11 >> 216 3696295.5585900 . volume 18863 11 >> 217 161889.4375000 . height 18863 11 >> 217 2265502.5234400 . volume 18863 11 >> 218 349892.5312500 . height 18863 11 >> 218 4978329.1914100 . volume 18863 11 >> 219 144418.3593750 . height 18863 11 >> 219 2373210.7968800 . volume 18863 11 >> 220 91517.8125000 . height 18863 11 >> 220 1533309.8066400 . volume 18863 11 >> 221 131858.9687500 . height 18863 11 >> 221 2211749.0429700 . volume 18863 11 >> 222 173422.0937500 . height 18863 11 >> 222 2538146.2949200 . volume 18863 11 >> 223 101325.0312500 . height 18863 11 >> 223 1122700.1257300 . volume 18863 11 >> 224 105410.6250000 . height 18863 11 >> 224 1121067.4897500 . volume 18863 11 >> 225 92025.9687500 . height 18863 11 >> 225 1345763.6235400 . volume 18863 11 >> 226 87079.7421875 . height 18863 11 >> 226 872319.2408450 . volume 18863 11 >> 227 237962.6875000 . height 18863 11 >> 227 3254354.3183600 . volume 18863 11 >> 228 227785.9843750 . height 18863 11 >> 228 2578133.6464800 . volume 18863 11 >> 229 376277.5625000 . height 18863 11 >> 229 4683082.2265600 . volume 18863 11 >> 230 156064.8125000 . height 18863 11 >> 230 2170781.8281200 . volume 18863 11 >> 231 623635.0000000 . height 18863 11 >> 231 8353450.8906200 . volume 18863 11 >> 232 264165.5937500 . height 18863 11 >> 232 3887989.5117200 . volume 18863 11 >> 233 134829.5468750 . height 18863 11 >> 233 1922056.8002900 . volume 18863 11 >> 234 187565.6093750 . height 18863 11 >> 234 2290691.8574200 . volume 18863 11 >> 235 98462.3125000 . height 18863 11 >> 235 1424216.4306600 . volume 18863 11 >> 236 119663.6015620 . height 18863 11 >> 236 2154085.3437500 . volume 18863 11 >> 237 68750.3437500 . height 18863 11 >> 237 994180.8222050 . volume 18863 11 >> 238 346695.2812500 . height 18863 11 >> 238 4989233.0273400 . volume 18863 11 >> 239 137399.1875000 . height 18863 11 >> 239 1922955.0419900 . volume 18863 11 >> 240 60531.5468750 . height 18863 11 >> 240 461430.2606810 . volume 18863 11 >> 241 156053.5937500 . height 18863 11 >> 241 2440522.7539100 . volume 18863 11 >> 242 376545.5000000 . height 18863 11 >> 242 5153987.0273400 . volume 18863 11 >> 243 468114.4062500 . height 18863 11 >> 243 6285327.7929700 . volume 18863 11 >> 244 140598.0156250 . height 18863 11 >> 244 2156982.9863300 . volume 18863 11 >> 245 138525.2031250 . height 18863 11 >> 245 1867696.6420000 . volume 18863 11 >> 246 167683.4843750 . height 18863 11 >> 246 2604971.2031200 . volume 18863 11 >> 247 246901.7031250 . height 18863 11 >> 247 3812653.6171900 . volume 18863 11 >> 248 79837.4687500 . height 18863 11 >> 248 895457.0683590 . volume 18863 11 >> 249 184736.4843750 . height 18863 11 >> 249 2408141.7334000 . volume 18863 11 >> 250 331203.6250000 . height 18863 11 >> 250 4518043.1601600 . volume 18863 11 >> 251 130949.4765620 . height 18863 11 >> 251 1610650.1552800 . volume 18863 11 >> 252 143088.3281250 . height 18863 11 >> 252 1575684.8925800 . volume 18863 11 >> 253 416101.9687500 . height 18863 11 >> 253 5421032.8261700 . volume 18863 11 >> 254 87348.3437500 . height 18863 11 >> 254 1299199.4472700 . volume 18863 11 >> 255 66558.1328125 . height 18863 11 >> 255 1104874.9160200 . volume 18863 11 >> 256 137902.0312500 . height 18863 11 >> 256 1927991.0898400 . volume 18863 11 >> 257 667432.1875000 . height 18863 11 >> 257 8963831.6875000 . volume 18863 11 >> 258 75659.3515625 . height 18863 11 >> 258 596837.4423830 . volume 18863 11 >> 259 86647.4609375 . height 18863 11 >> 259 1023160.6298800 . volume 18863 11 >> 260 465877.9062500 . height 18863 11 >> 260 6069914.4296900 . volume 18863 11 >> 261 171890.2187500 . height 18863 11 >> 261 2260647.9804700 . volume 18863 11 >> 262 111479.5390620 . height 18863 11 >> 262 1219560.3576700 . volume 18863 11 >> 263 98666.2890625 . height 18863 11 >> 263 917372.0224610 . volume 18863 11 >> 264 192227.4375000 . height 18863 11 >> 264 3382768.4531200 . volume 18863 11 >> 265 254261.4218750 . height 18863 11 >> 265 4458132.6406200 . volume 18863 11 >> 266 204316.3750000 . height 18863 11 >> 266 3108196.1057100 . volume 18863 11 >> 267 367116.0625000 . height 18863 11 >> 267 5310141.9960900 . volume 18863 11 >> 268 271362.0625000 . height 18863 11 >> 268 3725247.5937500 . volume 18863 11 >> 269 253547.8281250 . height 18863 11 >> 269 3548763.6621100 . volume 18863 11 >> 270 303862.7187500 . height 18863 11 >> 270 4605803.2500000 . volume 18863 11 >> 271 482869.2500000 . height 18863 11 >> 271 6340111.8359400 . volume 18863 11 >> 272 110059.5546880 . height 18863 11 >> 272 1401878.0200200 . volume 18863 11 >> 273 134591.5937500 . height 18863 11 >> 273 2407837.7675800 . volume 18863 11 >> 274 525598.3125000 . height 18863 11 >> 274 7032192.5273400 . volume 18863 11 >> 275 196881.0000000 . height 18863 11 >> 275 2406232.3103000 . volume 18863 11 >> 276 162360.7968750 . height 18863 11 >> 276 3790615.3164100 . volume 18863 11 >> 277 149820.3281250 . height 18863 11 >> 277 1294375.8584000 . volume 18863 11 >> 278 418945.7812500 . height 18863 11 >> 278 5840566.5859400 . volume 18863 11 >> 279 58555.0585938 . height 18863 11 >> 279 630189.2799070 . volume 18863 11 >> 280 246165.1875000 . height 18863 11 >> 280 2871693.1074200 . volume 18863 11 >> 281 137960.5625000 . height 18863 11 >> 281 1957819.1757800 . volume 18863 11 >> 282 424437.8437500 . height 18863 11 >> 282 4684235.2851600 . volume 18863 11 >> 283 188925.5468750 . height 18863 11 >> 283 2461352.9687500 . volume 18863 11 >> 284 201442.5000000 . height 18863 11 >> 284 2329019.0000000 . volume 18863 11 >> 285 73603.6093750 . height 18863 11 >> 285 1152118.4892600 . volume 18863 11 >> 286 266453.9062500 . height 18863 11 >> 286 3169974.1855500 . volume 18863 11 >> 287 111979.7265620 . height 18863 11 >> 287 1415003.5595700 . volume 18863 11 >> 288 92780.5000000 . height 18863 11 >> 288 1167912.1176800 . volume 18863 11 >> 289 73739.1953125 . height 18863 11 >> 289 1062026.2329100 . volume 18863 11 >> 290 244494.6562500 . height 18863 11 >> 290 2811052.9531200 . volume 18863 11 >> 291 295259.3750000 . height 18863 11 >> 291 3568429.0507800 . volume 18863 11 >> 292 196248.5781250 . height 18863 11 >> 292 2441873.5585900 . volume 18863 11 >> 293 340880.0000000 . height 18863 11 >> 293 4144777.1709000 . volume 18863 11 >> 294 59535.3437500 . height 18863 11 >> 294 841979.9444890 . volume 18863 11 >> 295 84534.8359375 . height 18863 11 >> 295 1337494.7597700 . volume 18863 11 >> 296 102037.3359380 . height 18863 11 >> 296 1547951.2489000 . volume 18863 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 8.048 . . . . . . . . . . . . 8 18863 11 >> 1 2 8.193 . . . . . . . . . . . . 8 18863 11 >> 1 3 118.811 . . . . . . . . . . . . 8 18863 11 >> 2 1 8.196 . . . . . . . . . . . . 8 18863 11 >> 2 2 8.032 . . . . . . . . . . . . 8 18863 11 >> 2 3 119.390 . . . . . . . . . . . . 8 18863 11 >> 3 1 8.201 . . . . . . . . . . . . 8 18863 11 >> 3 2 8.389 . . . . . . . . . . . . 8 18863 11 >> 3 3 119.306 . . . . . . . . . . . . 8 18863 11 >> 4 1 8.385 . . . . . . . . . . . . 8 18863 11 >> 4 2 8.185 . . . . . . . . . . . . 8 18863 11 >> 4 3 118.306 . . . . . . . . . . . . 8 18863 11 >> 5 1 8.397 . . . . . . . . . . . . 8 18863 11 >> 5 2 7.951 . . . . . . . . . . . . 8 18863 11 >> 5 3 118.323 . . . . . . . . . . . . 8 18863 11 >> 6 1 7.946 . . . . . . . . . . . . 8 18863 11 >> 6 2 8.379 . . . . . . . . . . . . 8 18863 11 >> 6 3 120.880 . . . . . . . . . . . . 8 18863 11 >> 7 1 7.947 . . . . . . . . . . . . 8 18863 11 >> 7 2 8.145 . . . . . . . . . . . . 8 18863 11 >> 7 3 120.794 . . . . . . . . . . . . 8 18863 11 >> 8 1 8.149 . . . . . . . . . . . . 8 18863 11 >> 8 2 7.933 . . . . . . . . . . . . 8 18863 11 >> 8 3 120.839 . . . . . . . . . . . . 8 18863 11 >> 9 1 8.152 . . . . . . . . . . . . 8 18863 11 >> 9 2 3.620 . . . . . . . . . . . . 8 18863 11 >> 9 3 120.816 . . . . . . . . . . . . 8 18863 11 >> 10 1 7.946 . . . . . . . . . . . . 8 18863 11 >> 10 2 4.018 . . . . . . . . . . . . 8 18863 11 >> 10 3 120.953 . . . . . . . . . . . . 8 18863 11 >> 11 1 8.392 . . . . . . . . . . . . 8 18863 11 >> 11 2 4.344 . . . . . . . . . . . . 8 18863 11 >> 11 3 118.286 . . . . . . . . . . . . 8 18863 11 >> 12 1 8.192 . . . . . . . . . . . . 8 18863 11 >> 12 2 3.925 . . . . . . . . . . . . 8 18863 11 >> 12 3 119.300 . . . . . . . . . . . . 8 18863 11 >> 13 1 8.041 . . . . . . . . . . . . 8 18863 11 >> 13 2 4.044 . . . . . . . . . . . . 8 18863 11 >> 13 3 118.746 . . . . . . . . . . . . 8 18863 11 >> 14 1 8.198 . . . . . . . . . . . . 8 18863 11 >> 14 2 4.040 . . . . . . . . . . . . 8 18863 11 >> 14 3 119.335 . . . . . . . . . . . . 8 18863 11 >> 15 1 8.394 . . . . . . . . . . . . 8 18863 11 >> 15 2 4.046 . . . . . . . . . . . . 8 18863 11 >> 15 3 118.248 . . . . . . . . . . . . 8 18863 11 >> 16 1 8.352 . . . . . . . . . . . . 8 18863 11 >> 16 2 8.552 . . . . . . . . . . . . 8 18863 11 >> 16 3 120.998 . . . . . . . . . . . . 8 18863 11 >> 17 1 8.544 . . . . . . . . . . . . 8 18863 11 >> 17 2 8.308 . . . . . . . . . . . . 8 18863 11 >> 17 3 120.200 . . . . . . . . . . . . 8 18863 11 >> 18 1 8.350 . . . . . . . . . . . . 8 18863 11 >> 18 2 4.017 . . . . . . . . . . . . 8 18863 11 >> 18 3 121.021 . . . . . . . . . . . . 8 18863 11 >> 19 1 8.547 . . . . . . . . . . . . 8 18863 11 >> 19 2 4.405 . . . . . . . . . . . . 8 18863 11 >> 19 3 120.120 . . . . . . . . . . . . 8 18863 11 >> 20 1 8.474 . . . . . . . . . . . . 8 18863 11 >> 20 2 3.980 . . . . . . . . . . . . 8 18863 11 >> 20 3 123.303 . . . . . . . . . . . . 8 18863 11 >> 21 1 8.555 . . . . . . . . . . . . 8 18863 11 >> 21 2 3.994 . . . . . . . . . . . . 8 18863 11 >> 21 3 119.966 . . . . . . . . . . . . 8 18863 11 >> 22 1 8.474 . . . . . . . . . . . . 8 18863 11 >> 22 2 3.599 . . . . . . . . . . . . 8 18863 11 >> 22 3 123.450 . . . . . . . . . . . . 8 18863 11 >> 23 1 8.554 . . . . . . . . . . . . 8 18863 11 >> 23 2 8.192 . . . . . . . . . . . . 8 18863 11 >> 23 3 120.991 . . . . . . . . . . . . 8 18863 11 >> 24 1 8.200 . . . . . . . . . . . . 8 18863 11 >> 24 2 8.558 . . . . . . . . . . . . 8 18863 11 >> 24 3 115.997 . . . . . . . . . . . . 8 18863 11 >> 25 1 8.146 . . . . . . . . . . . . 8 18863 11 >> 25 2 8.314 . . . . . . . . . . . . 8 18863 11 >> 25 3 122.908 . . . . . . . . . . . . 8 18863 11 >> 26 1 8.298 . . . . . . . . . . . . 8 18863 11 >> 26 2 8.147 . . . . . . . . . . . . 8 18863 11 >> 26 3 123.405 . . . . . . . . . . . . 8 18863 11 >> 27 1 8.297 . . . . . . . . . . . . 8 18863 11 >> 27 2 8.601 . . . . . . . . . . . . 8 18863 11 >> 27 3 123.252 . . . . . . . . . . . . 8 18863 11 >> 28 1 8.551 . . . . . . . . . . . . 8 18863 11 >> 28 2 4.038 . . . . . . . . . . . . 8 18863 11 >> 28 3 120.999 . . . . . . . . . . . . 8 18863 11 >> 29 1 8.201 . . . . . . . . . . . . 8 18863 11 >> 29 2 4.068 . . . . . . . . . . . . 8 18863 11 >> 29 3 115.983 . . . . . . . . . . . . 8 18863 11 >> 30 1 8.201 . . . . . . . . . . . . 8 18863 11 >> 30 2 3.978 . . . . . . . . . . . . 8 18863 11 >> 30 3 115.999 . . . . . . . . . . . . 8 18863 11 >> 31 1 8.201 . . . . . . . . . . . . 8 18863 11 >> 31 2 4.151 . . . . . . . . . . . . 8 18863 11 >> 31 3 115.943 . . . . . . . . . . . . 8 18863 11 >> 32 1 8.142 . . . . . . . . . . . . 8 18863 11 >> 32 2 3.644 . . . . . . . . . . . . 8 18863 11 >> 32 3 122.884 . . . . . . . . . . . . 8 18863 11 >> 33 1 8.144 . . . . . . . . . . . . 8 18863 11 >> 33 2 3.962 . . . . . . . . . . . . 8 18863 11 >> 33 3 122.884 . . . . . . . . . . . . 8 18863 11 >> 34 1 8.291 . . . . . . . . . . . . 8 18863 11 >> 34 2 3.985 . . . . . . . . . . . . 8 18863 11 >> 34 3 123.380 . . . . . . . . . . . . 8 18863 11 >> 35 1 8.595 . . . . . . . . . . . . 8 18863 11 >> 35 2 3.850 . . . . . . . . . . . . 8 18863 11 >> 35 3 107.404 . . . . . . . . . . . . 8 18863 11 >> 36 1 8.595 . . . . . . . . . . . . 8 18863 11 >> 36 2 4.086 . . . . . . . . . . . . 8 18863 11 >> 36 3 107.378 . . . . . . . . . . . . 8 18863 11 >> 37 1 8.594 . . . . . . . . . . . . 8 18863 11 >> 37 2 8.312 . . . . . . . . . . . . 8 18863 11 >> 37 3 107.408 . . . . . . . . . . . . 8 18863 11 >> 38 1 8.317 . . . . . . . . . . . . 8 18863 11 >> 38 2 8.590 . . . . . . . . . . . . 8 18863 11 >> 38 3 124.887 . . . . . . . . . . . . 8 18863 11 >> 39 1 8.315 . . . . . . . . . . . . 8 18863 11 >> 39 2 8.451 . . . . . . . . . . . . 8 18863 11 >> 39 3 125.008 . . . . . . . . . . . . 8 18863 11 >> 40 1 8.423 . . . . . . . . . . . . 8 18863 11 >> 40 2 8.553 . . . . . . . . . . . . 8 18863 11 >> 40 3 116.101 . . . . . . . . . . . . 8 18863 11 >> 41 1 8.315 . . . . . . . . . . . . 8 18863 11 >> 41 2 4.099 . . . . . . . . . . . . 8 18863 11 >> 41 3 124.812 . . . . . . . . . . . . 8 18863 11 >> 42 1 8.315 . . . . . . . . . . . . 8 18863 11 >> 42 2 3.849 . . . . . . . . . . . . 8 18863 11 >> 42 3 124.848 . . . . . . . . . . . . 8 18863 11 >> 44 1 8.421 . . . . . . . . . . . . 8 18863 11 >> 44 2 4.301 . . . . . . . . . . . . 8 18863 11 >> 44 3 115.911 . . . . . . . . . . . . 8 18863 11 >> 45 1 8.422 . . . . . . . . . . . . 8 18863 11 >> 45 2 4.099 . . . . . . . . . . . . 8 18863 11 >> 45 3 115.971 . . . . . . . . . . . . 8 18863 11 >> 46 1 8.539 . . . . . . . . . . . . 8 18863 11 >> 46 2 3.957 . . . . . . . . . . . . 8 18863 11 >> 46 3 109.962 . . . . . . . . . . . . 8 18863 11 >> 47 1 8.542 . . . . . . . . . . . . 8 18863 11 >> 47 2 3.831 . . . . . . . . . . . . 8 18863 11 >> 47 3 109.938 . . . . . . . . . . . . 8 18863 11 >> 48 1 8.541 . . . . . . . . . . . . 8 18863 11 >> 48 2 8.223 . . . . . . . . . . . . 8 18863 11 >> 48 3 110.077 . . . . . . . . . . . . 8 18863 11 >> 49 1 8.207 . . . . . . . . . . . . 8 18863 11 >> 49 2 8.538 . . . . . . . . . . . . 8 18863 11 >> 49 3 122.889 . . . . . . . . . . . . 8 18863 11 >> 50 1 8.214 . . . . . . . . . . . . 8 18863 11 >> 50 2 4.061 . . . . . . . . . . . . 8 18863 11 >> 50 3 123.016 . . . . . . . . . . . . 8 18863 11 >> 51 1 8.214 . . . . . . . . . . . . 8 18863 11 >> 51 2 3.841 . . . . . . . . . . . . 8 18863 11 >> 51 3 122.901 . . . . . . . . . . . . 8 18863 11 >> 52 1 8.108 . . . . . . . . . . . . 8 18863 11 >> 52 2 4.094 . . . . . . . . . . . . 8 18863 11 >> 52 3 120.551 . . . . . . . . . . . . 8 18863 11 >> 53 1 8.106 . . . . . . . . . . . . 8 18863 11 >> 53 2 3.830 . . . . . . . . . . . . 8 18863 11 >> 53 3 120.543 . . . . . . . . . . . . 8 18863 11 >> 54 1 8.176 . . . . . . . . . . . . 8 18863 11 >> 54 2 3.831 . . . . . . . . . . . . 8 18863 11 >> 54 3 114.542 . . . . . . . . . . . . 8 18863 11 >> 55 1 8.132 . . . . . . . . . . . . 8 18863 11 >> 55 2 8.302 . . . . . . . . . . . . 8 18863 11 >> 55 3 120.896 . . . . . . . . . . . . 8 18863 11 >> 56 1 8.130 . . . . . . . . . . . . 8 18863 11 >> 56 2 8.464 . . . . . . . . . . . . 8 18863 11 >> 56 3 120.982 . . . . . . . . . . . . 8 18863 11 >> 57 1 8.477 . . . . . . . . . . . . 8 18863 11 >> 57 2 8.129 . . . . . . . . . . . . 8 18863 11 >> 57 3 119.100 . . . . . . . . . . . . 8 18863 11 >> 58 1 8.135 . . . . . . . . . . . . 8 18863 11 >> 58 2 3.973 . . . . . . . . . . . . 8 18863 11 >> 58 3 120.886 . . . . . . . . . . . . 8 18863 11 >> 59 1 8.182 . . . . . . . . . . . . 8 18863 11 >> 59 2 3.989 . . . . . . . . . . . . 8 18863 11 >> 59 3 121.556 . . . . . . . . . . . . 8 18863 11 >> 60 1 7.995 . . . . . . . . . . . . 8 18863 11 >> 60 2 4.031 . . . . . . . . . . . . 8 18863 11 >> 60 3 119.524 . . . . . . . . . . . . 8 18863 11 >> 61 1 7.518 . . . . . . . . . . . . 8 18863 11 >> 61 2 8.010 . . . . . . . . . . . . 8 18863 11 >> 61 3 118.308 . . . . . . . . . . . . 8 18863 11 >> 62 1 8.008 . . . . . . . . . . . . 8 18863 11 >> 62 2 7.525 . . . . . . . . . . . . 8 18863 11 >> 62 3 106.045 . . . . . . . . . . . . 8 18863 11 >> 63 1 7.614 . . . . . . . . . . . . 8 18863 11 >> 63 2 7.546 . . . . . . . . . . . . 8 18863 11 >> 63 3 118.015 . . . . . . . . . . . . 8 18863 11 >> 64 1 7.608 . . . . . . . . . . . . 8 18863 11 >> 64 2 7.840 . . . . . . . . . . . . 8 18863 11 >> 64 3 118.146 . . . . . . . . . . . . 8 18863 11 >> 65 1 8.416 . . . . . . . . . . . . 8 18863 11 >> 65 2 7.967 . . . . . . . . . . . . 8 18863 11 >> 65 3 106.229 . . . . . . . . . . . . 8 18863 11 >> 66 1 7.956 . . . . . . . . . . . . 8 18863 11 >> 66 2 8.410 . . . . . . . . . . . . 8 18863 11 >> 66 3 123.638 . . . . . . . . . . . . 8 18863 11 >> 67 1 7.960 . . . . . . . . . . . . 8 18863 11 >> 67 2 8.099 . . . . . . . . . . . . 8 18863 11 >> 67 3 123.724 . . . . . . . . . . . . 8 18863 11 >> 68 1 8.080 . . . . . . . . . . . . 8 18863 11 >> 68 2 7.866 . . . . . . . . . . . . 8 18863 11 >> 68 3 120.337 . . . . . . . . . . . . 8 18863 11 >> 69 1 7.998 . . . . . . . . . . . . 8 18863 11 >> 69 2 3.677 . . . . . . . . . . . . 8 18863 11 >> 69 3 106.136 . . . . . . . . . . . . 8 18863 11 >> 70 1 8.001 . . . . . . . . . . . . 8 18863 11 >> 70 2 3.519 . . . . . . . . . . . . 8 18863 11 >> 70 3 106.032 . . . . . . . . . . . . 8 18863 11 >> 71 1 7.518 . . . . . . . . . . . . 8 18863 11 >> 71 2 4.036 . . . . . . . . . . . . 8 18863 11 >> 71 3 118.334 . . . . . . . . . . . . 8 18863 11 >> 72 1 7.607 . . . . . . . . . . . . 8 18863 11 >> 72 2 4.256 . . . . . . . . . . . . 8 18863 11 >> 72 3 118.093 . . . . . . . . . . . . 8 18863 11 >> 73 1 8.409 . . . . . . . . . . . . 8 18863 11 >> 73 2 3.828 . . . . . . . . . . . . 8 18863 11 >> 73 3 106.251 . . . . . . . . . . . . 8 18863 11 >> 74 1 7.957 . . . . . . . . . . . . 8 18863 11 >> 74 2 4.121 . . . . . . . . . . . . 8 18863 11 >> 74 3 123.680 . . . . . . . . . . . . 8 18863 11 >> 75 1 8.081 . . . . . . . . . . . . 8 18863 11 >> 75 2 4.081 . . . . . . . . . . . . 8 18863 11 >> 75 3 120.268 . . . . . . . . . . . . 8 18863 11 >> 76 1 8.088 . . . . . . . . . . . . 8 18863 11 >> 76 2 4.032 . . . . . . . . . . . . 8 18863 11 >> 76 3 119.475 . . . . . . . . . . . . 8 18863 11 >> 77 1 7.863 . . . . . . . . . . . . 8 18863 11 >> 77 2 8.078 . . . . . . . . . . . . 8 18863 11 >> 77 3 117.039 . . . . . . . . . . . . 8 18863 11 >> 78 1 7.864 . . . . . . . . . . . . 8 18863 11 >> 78 2 4.286 . . . . . . . . . . . . 8 18863 11 >> 78 3 117.022 . . . . . . . . . . . . 8 18863 11 >> 79 1 8.405 . . . . . . . . . . . . 8 18863 11 >> 79 2 4.284 . . . . . . . . . . . . 8 18863 11 >> 79 3 106.321 . . . . . . . . . . . . 8 18863 11 >> 80 1 8.080 . . . . . . . . . . . . 8 18863 11 >> 80 2 4.293 . . . . . . . . . . . . 8 18863 11 >> 80 3 120.265 . . . . . . . . . . . . 8 18863 11 >> 81 1 7.613 . . . . . . . . . . . . 8 18863 11 >> 81 2 4.044 . . . . . . . . . . . . 8 18863 11 >> 81 3 118.161 . . . . . . . . . . . . 8 18863 11 >> 82 1 7.515 . . . . . . . . . . . . 8 18863 11 >> 82 2 3.509 . . . . . . . . . . . . 8 18863 11 >> 82 3 118.201 . . . . . . . . . . . . 8 18863 11 >> 83 1 7.968 . . . . . . . . . . . . 8 18863 11 >> 83 2 7.717 . . . . . . . . . . . . 8 18863 11 >> 83 3 106.782 . . . . . . . . . . . . 8 18863 11 >> 84 1 7.965 . . . . . . . . . . . . 8 18863 11 >> 84 2 3.770 . . . . . . . . . . . . 8 18863 11 >> 84 3 106.785 . . . . . . . . . . . . 8 18863 11 >> 85 1 7.745 . . . . . . . . . . . . 8 18863 11 >> 85 2 4.087 . . . . . . . . . . . . 8 18863 11 >> 85 3 117.115 . . . . . . . . . . . . 8 18863 11 >> 86 1 7.969 . . . . . . . . . . . . 8 18863 11 >> 86 2 4.276 . . . . . . . . . . . . 8 18863 11 >> 86 3 106.778 . . . . . . . . . . . . 8 18863 11 >> 87 1 8.052 . . . . . . . . . . . . 8 18863 11 >> 87 2 4.321 . . . . . . . . . . . . 8 18863 11 >> 87 3 117.120 . . . . . . . . . . . . 8 18863 11 >> 88 1 7.835 . . . . . . . . . . . . 8 18863 11 >> 88 2 3.988 . . . . . . . . . . . . 8 18863 11 >> 88 3 121.673 . . . . . . . . . . . . 8 18863 11 >> 89 1 7.884 . . . . . . . . . . . . 8 18863 11 >> 89 2 4.269 . . . . . . . . . . . . 8 18863 11 >> 89 3 116.467 . . . . . . . . . . . . 8 18863 11 >> 90 1 7.739 . . . . . . . . . . . . 8 18863 11 >> 90 2 3.812 . . . . . . . . . . . . 8 18863 11 >> 90 3 117.111 . . . . . . . . . . . . 8 18863 11 >> 91 1 7.885 . . . . . . . . . . . . 8 18863 11 >> 91 2 3.996 . . . . . . . . . . . . 8 18863 11 >> 91 3 116.530 . . . . . . . . . . . . 8 18863 11 >> 92 1 7.833 . . . . . . . . . . . . 8 18863 11 >> 92 2 4.281 . . . . . . . . . . . . 8 18863 11 >> 92 3 121.621 . . . . . . . . . . . . 8 18863 11 >> 93 1 8.057 . . . . . . . . . . . . 8 18863 11 >> 93 2 7.745 . . . . . . . . . . . . 8 18863 11 >> 93 3 122.811 . . . . . . . . . . . . 8 18863 11 >> 94 1 7.736 . . . . . . . . . . . . 8 18863 11 >> 94 2 8.037 . . . . . . . . . . . . 8 18863 11 >> 94 3 117.090 . . . . . . . . . . . . 8 18863 11 >> 95 1 8.061 . . . . . . . . . . . . 8 18863 11 >> 95 2 4.547 . . . . . . . . . . . . 8 18863 11 >> 95 3 122.835 . . . . . . . . . . . . 8 18863 11 >> 96 1 7.847 . . . . . . . . . . . . 8 18863 11 >> 96 2 7.210 . . . . . . . . . . . . 8 18863 11 >> 96 3 119.481 . . . . . . . . . . . . 8 18863 11 >> 97 1 7.207 . . . . . . . . . . . . 8 18863 11 >> 97 2 7.843 . . . . . . . . . . . . 8 18863 11 >> 97 3 116.296 . . . . . . . . . . . . 8 18863 11 >> 98 1 7.206 . . . . . . . . . . . . 8 18863 11 >> 98 2 4.021 . . . . . . . . . . . . 8 18863 11 >> 98 3 116.290 . . . . . . . . . . . . 8 18863 11 >> 99 1 7.848 . . . . . . . . . . . . 8 18863 11 >> 99 2 3.906 . . . . . . . . . . . . 8 18863 11 >> 99 3 119.467 . . . . . . . . . . . . 8 18863 11 >> 100 1 7.847 . . . . . . . . . . . . 8 18863 11 >> 100 2 4.039 . . . . . . . . . . . . 8 18863 11 >> 100 3 119.388 . . . . . . . . . . . . 8 18863 11 >> 101 1 7.754 . . . . . . . . . . . . 8 18863 11 >> 101 2 7.605 . . . . . . . . . . . . 8 18863 11 >> 101 3 117.469 . . . . . . . . . . . . 8 18863 11 >> 102 1 7.616 . . . . . . . . . . . . 8 18863 11 >> 102 2 7.779 . . . . . . . . . . . . 8 18863 11 >> 102 3 119.995 . . . . . . . . . . . . 8 18863 11 >> 103 1 8.158 . . . . . . . . . . . . 8 18863 11 >> 103 2 7.936 . . . . . . . . . . . . 8 18863 11 >> 103 3 122.636 . . . . . . . . . . . . 8 18863 11 >> 104 1 7.934 . . . . . . . . . . . . 8 18863 11 >> 104 2 8.180 . . . . . . . . . . . . 8 18863 11 >> 104 3 117.688 . . . . . . . . . . . . 8 18863 11 >> 105 1 7.615 . . . . . . . . . . . . 8 18863 11 >> 105 2 4.209 . . . . . . . . . . . . 8 18863 11 >> 105 3 120.035 . . . . . . . . . . . . 8 18863 11 >> 106 1 7.754 . . . . . . . . . . . . 8 18863 11 >> 106 2 4.090 . . . . . . . . . . . . 8 18863 11 >> 106 3 118.052 . . . . . . . . . . . . 8 18863 11 >> 107 1 8.152 . . . . . . . . . . . . 8 18863 11 >> 107 2 4.104 . . . . . . . . . . . . 8 18863 11 >> 107 3 122.645 . . . . . . . . . . . . 8 18863 11 >> 108 1 7.929 . . . . . . . . . . . . 8 18863 11 >> 108 2 4.095 . . . . . . . . . . . . 8 18863 11 >> 108 3 117.766 . . . . . . . . . . . . 8 18863 11 >> 109 1 7.944 . . . . . . . . . . . . 8 18863 11 >> 109 2 4.089 . . . . . . . . . . . . 8 18863 11 >> 109 3 122.280 . . . . . . . . . . . . 8 18863 11 >> 110 1 8.475 . . . . . . . . . . . . 8 18863 11 >> 110 2 8.579 . . . . . . . . . . . . 8 18863 11 >> 110 3 123.010 . . . . . . . . . . . . 8 18863 11 >> 111 1 8.551 . . . . . . . . . . . . 8 18863 11 >> 111 2 8.459 . . . . . . . . . . . . 8 18863 11 >> 111 3 120.417 . . . . . . . . . . . . 8 18863 11 >> 112 1 8.170 . . . . . . . . . . . . 8 18863 11 >> 112 2 8.097 . . . . . . . . . . . . 8 18863 11 >> 112 3 114.184 . . . . . . . . . . . . 8 18863 11 >> 113 1 8.173 . . . . . . . . . . . . 8 18863 11 >> 113 2 3.971 . . . . . . . . . . . . 8 18863 11 >> 113 3 114.544 . . . . . . . . . . . . 8 18863 11 >> 114 1 8.285 . . . . . . . . . . . . 8 18863 11 >> 114 2 8.179 . . . . . . . . . . . . 8 18863 11 >> 114 3 120.833 . . . . . . . . . . . . 8 18863 11 >> 115 1 8.288 . . . . . . . . . . . . 8 18863 11 >> 115 2 4.283 . . . . . . . . . . . . 8 18863 11 >> 115 3 120.205 . . . . . . . . . . . . 8 18863 11 >> 116 1 8.270 . . . . . . . . . . . . 8 18863 11 >> 116 2 4.256 . . . . . . . . . . . . 8 18863 11 >> 116 3 120.389 . . . . . . . . . . . . 8 18863 11 >> 117 1 8.488 . . . . . . . . . . . . 8 18863 11 >> 117 2 4.045 . . . . . . . . . . . . 8 18863 11 >> 117 3 119.131 . . . . . . . . . . . . 8 18863 11 >> 118 1 8.479 . . . . . . . . . . . . 8 18863 11 >> 118 2 4.384 . . . . . . . . . . . . 8 18863 11 >> 118 3 119.281 . . . . . . . . . . . . 8 18863 11 >> 119 1 8.175 . . . . . . . . . . . . 8 18863 11 >> 119 2 8.558 . . . . . . . . . . . . 8 18863 11 >> 119 3 121.610 . . . . . . . . . . . . 8 18863 11 >> 120 1 8.081 . . . . . . . . . . . . 8 18863 11 >> 120 2 8.232 . . . . . . . . . . . . 8 18863 11 >> 120 3 119.513 . . . . . . . . . . . . 8 18863 11 >> 121 1 7.911 . . . . . . . . . . . . 8 18863 11 >> 121 2 4.099 . . . . . . . . . . . . 8 18863 11 >> 121 3 120.598 . . . . . . . . . . . . 8 18863 11 >> 122 1 8.266 . . . . . . . . . . . . 8 18863 11 >> 122 2 4.053 . . . . . . . . . . . . 8 18863 11 >> 122 3 122.826 . . . . . . . . . . . . 8 18863 11 >> 123 1 8.263 . . . . . . . . . . . . 8 18863 11 >> 123 2 1.411 . . . . . . . . . . . . 8 18863 11 >> 123 3 122.727 . . . . . . . . . . . . 8 18863 11 >> 124 1 8.047 . . . . . . . . . . . . 8 18863 11 >> 124 2 1.731 . . . . . . . . . . . . 8 18863 11 >> 124 3 118.781 . . . . . . . . . . . . 8 18863 11 >> 125 1 8.200 . . . . . . . . . . . . 8 18863 11 >> 125 2 2.198 . . . . . . . . . . . . 8 18863 11 >> 125 3 119.321 . . . . . . . . . . . . 8 18863 11 >> 126 1 8.192 . . . . . . . . . . . . 8 18863 11 >> 126 2 2.121 . . . . . . . . . . . . 8 18863 11 >> 126 3 119.186 . . . . . . . . . . . . 8 18863 11 >> 127 1 8.394 . . . . . . . . . . . . 8 18863 11 >> 127 2 3.020 . . . . . . . . . . . . 8 18863 11 >> 127 3 118.328 . . . . . . . . . . . . 8 18863 11 >> 128 1 8.390 . . . . . . . . . . . . 8 18863 11 >> 128 2 2.605 . . . . . . . . . . . . 8 18863 11 >> 128 3 118.256 . . . . . . . . . . . . 8 18863 11 >> 129 1 8.152 . . . . . . . . . . . . 8 18863 11 >> 129 2 2.303 . . . . . . . . . . . . 8 18863 11 >> 129 3 120.816 . . . . . . . . . . . . 8 18863 11 >> 130 1 8.152 . . . . . . . . . . . . 8 18863 11 >> 130 2 1.067 . . . . . . . . . . . . 8 18863 11 >> 130 3 120.818 . . . . . . . . . . . . 8 18863 11 >> 131 1 8.149 . . . . . . . . . . . . 8 18863 11 >> 131 2 0.905 . . . . . . . . . . . . 8 18863 11 >> 131 3 120.821 . . . . . . . . . . . . 8 18863 11 >> 132 1 8.547 . . . . . . . . . . . . 8 18863 11 >> 132 2 2.899 . . . . . . . . . . . . 8 18863 11 >> 132 3 120.111 . . . . . . . . . . . . 8 18863 11 >> 133 1 8.143 . . . . . . . . . . . . 8 18863 11 >> 133 2 2.135 . . . . . . . . . . . . 8 18863 11 >> 133 3 122.937 . . . . . . . . . . . . 8 18863 11 >> 134 1 8.145 . . . . . . . . . . . . 8 18863 11 >> 134 2 1.042 . . . . . . . . . . . . 8 18863 11 >> 134 3 122.909 . . . . . . . . . . . . 8 18863 11 >> 135 1 8.145 . . . . . . . . . . . . 8 18863 11 >> 135 2 0.885 . . . . . . . . . . . . 8 18863 11 >> 135 3 122.806 . . . . . . . . . . . . 8 18863 11 >> 136 1 8.295 . . . . . . . . . . . . 8 18863 11 >> 136 2 2.129 . . . . . . . . . . . . 8 18863 11 >> 136 3 123.348 . . . . . . . . . . . . 8 18863 11 >> 137 1 8.295 . . . . . . . . . . . . 8 18863 11 >> 137 2 1.481 . . . . . . . . . . . . 8 18863 11 >> 137 3 123.423 . . . . . . . . . . . . 8 18863 11 >> 138 1 8.288 . . . . . . . . . . . . 8 18863 11 >> 138 2 0.884 . . . . . . . . . . . . 8 18863 11 >> 138 3 123.301 . . . . . . . . . . . . 8 18863 11 >> 139 1 8.594 . . . . . . . . . . . . 8 18863 11 >> 139 2 1.487 . . . . . . . . . . . . 8 18863 11 >> 139 3 107.373 . . . . . . . . . . . . 8 18863 11 >> 140 1 8.314 . . . . . . . . . . . . 8 18863 11 >> 140 2 1.497 . . . . . . . . . . . . 8 18863 11 >> 140 3 124.859 . . . . . . . . . . . . 8 18863 11 >> 141 1 8.088 . . . . . . . . . . . . 8 18863 11 >> 141 2 3.168 . . . . . . . . . . . . 8 18863 11 >> 141 3 119.415 . . . . . . . . . . . . 8 18863 11 >> 142 1 8.088 . . . . . . . . . . . . 8 18863 11 >> 142 2 2.877 . . . . . . . . . . . . 8 18863 11 >> 142 3 119.534 . . . . . . . . . . . . 8 18863 11 >> 143 1 8.435 . . . . . . . . . . . . 8 18863 11 >> 143 2 8.842 . . . . . . . . . . . . 8 18863 11 >> 143 3 117.664 . . . . . . . . . . . . 8 18863 11 >> 148 1 8.186 . . . . . . . . . . . . 8 18863 11 >> 148 2 1.770 . . . . . . . . . . . . 8 18863 11 >> 148 3 119.329 . . . . . . . . . . . . 8 18863 11 >> 154 1 7.947 . . . . . . . . . . . . 8 18863 11 >> 154 2 1.740 . . . . . . . . . . . . 8 18863 11 >> 154 3 120.941 . . . . . . . . . . . . 8 18863 11 >> 159 1 8.347 . . . . . . . . . . . . 8 18863 11 >> 159 2 1.626 . . . . . . . . . . . . 8 18863 11 >> 159 3 121.011 . . . . . . . . . . . . 8 18863 11 >> 164 1 8.553 . . . . . . . . . . . . 8 18863 11 >> 164 2 1.606 . . . . . . . . . . . . 8 18863 11 >> 164 3 120.096 . . . . . . . . . . . . 8 18863 11 >> 169 1 8.552 . . . . . . . . . . . . 8 18863 11 >> 169 2 1.489 . . . . . . . . . . . . 8 18863 11 >> 169 3 120.939 . . . . . . . . . . . . 8 18863 11 >> 170 1 8.201 . . . . . . . . . . . . 8 18863 11 >> 170 2 1.488 . . . . . . . . . . . . 8 18863 11 >> 170 3 115.946 . . . . . . . . . . . . 8 18863 11 >> 171 1 8.293 . . . . . . . . . . . . 8 18863 11 >> 171 2 4.097 . . . . . . . . . . . . 8 18863 11 >> 171 3 123.390 . . . . . . . . . . . . 8 18863 11 >> 172 1 8.297 . . . . . . . . . . . . 8 18863 11 >> 172 2 3.642 . . . . . . . . . . . . 8 18863 11 >> 172 3 123.466 . . . . . . . . . . . . 8 18863 11 >> 178 1 8.215 . . . . . . . . . . . . 8 18863 11 >> 178 2 1.738 . . . . . . . . . . . . 8 18863 11 >> 178 3 122.939 . . . . . . . . . . . . 8 18863 11 >> 186 1 8.093 . . . . . . . . . . . . 8 18863 11 >> 186 2 4.285 . . . . . . . . . . . . 8 18863 11 >> 186 3 122.347 . . . . . . . . . . . . 8 18863 11 >> 187 1 8.100 . . . . . . . . . . . . 8 18863 11 >> 187 2 4.103 . . . . . . . . . . . . 8 18863 11 >> 187 3 122.424 . . . . . . . . . . . . 8 18863 11 >> 190 1 8.100 . . . . . . . . . . . . 8 18863 11 >> 190 2 1.938 . . . . . . . . . . . . 8 18863 11 >> 190 3 122.431 . . . . . . . . . . . . 8 18863 11 >> 191 1 8.309 . . . . . . . . . . . . 8 18863 11 >> 191 2 4.010 . . . . . . . . . . . . 8 18863 11 >> 191 3 120.174 . . . . . . . . . . . . 8 18863 11 >> 192 1 8.318 . . . . . . . . . . . . 8 18863 11 >> 192 2 1.631 . . . . . . . . . . . . 8 18863 11 >> 192 3 120.151 . . . . . . . . . . . . 8 18863 11 >> 193 1 8.320 . . . . . . . . . . . . 8 18863 11 >> 193 2 1.041 . . . . . . . . . . . . 8 18863 11 >> 193 3 120.148 . . . . . . . . . . . . 8 18863 11 >> 194 1 8.313 . . . . . . . . . . . . 8 18863 11 >> 194 2 0.851 . . . . . . . . . . . . 8 18863 11 >> 194 3 120.151 . . . . . . . . . . . . 8 18863 11 >> 197 1 8.134 . . . . . . . . . . . . 8 18863 11 >> 197 2 3.037 . . . . . . . . . . . . 8 18863 11 >> 197 3 120.991 . . . . . . . . . . . . 8 18863 11 >> 198 1 8.132 . . . . . . . . . . . . 8 18863 11 >> 198 2 1.952 . . . . . . . . . . . . 8 18863 11 >> 198 3 120.903 . . . . . . . . . . . . 8 18863 11 >> 199 1 8.570 . . . . . . . . . . . . 8 18863 11 >> 199 2 8.175 . . . . . . . . . . . . 8 18863 11 >> 199 3 119.832 . . . . . . . . . . . . 8 18863 11 >> 200 1 8.486 . . . . . . . . . . . . 8 18863 11 >> 200 2 3.062 . . . . . . . . . . . . 8 18863 11 >> 200 3 119.285 . . . . . . . . . . . . 8 18863 11 >> 201 1 8.478 . . . . . . . . . . . . 8 18863 11 >> 201 2 2.763 . . . . . . . . . . . . 8 18863 11 >> 201 3 119.270 . . . . . . . . . . . . 8 18863 11 >> 202 1 8.480 . . . . . . . . . . . . 8 18863 11 >> 202 2 1.946 . . . . . . . . . . . . 8 18863 11 >> 202 3 119.227 . . . . . . . . . . . . 8 18863 11 >> 203 1 8.170 . . . . . . . . . . . . 8 18863 11 >> 203 2 4.360 . . . . . . . . . . . . 8 18863 11 >> 203 3 121.559 . . . . . . . . . . . . 8 18863 11 >> 204 1 8.174 . . . . . . . . . . . . 8 18863 11 >> 204 2 2.777 . . . . . . . . . . . . 8 18863 11 >> 204 3 121.483 . . . . . . . . . . . . 8 18863 11 >> 206 1 7.995 . . . . . . . . . . . . 8 18863 11 >> 206 2 1.438 . . . . . . . . . . . . 8 18863 11 >> 206 3 119.485 . . . . . . . . . . . . 8 18863 11 >> 208 1 8.081 . . . . . . . . . . . . 8 18863 11 >> 208 2 1.408 . . . . . . . . . . . . 8 18863 11 >> 208 3 119.393 . . . . . . . . . . . . 8 18863 11 >> 209 1 8.242 . . . . . . . . . . . . 8 18863 11 >> 209 2 2.863 . . . . . . . . . . . . 8 18863 11 >> 209 3 120.043 . . . . . . . . . . . . 8 18863 11 >> 216 1 7.519 . . . . . . . . . . . . 8 18863 11 >> 216 2 1.671 . . . . . . . . . . . . 8 18863 11 >> 216 3 118.241 . . . . . . . . . . . . 8 18863 11 >> 218 1 7.605 . . . . . . . . . . . . 8 18863 11 >> 218 2 1.670 . . . . . . . . . . . . 8 18863 11 >> 218 3 118.116 . . . . . . . . . . . . 8 18863 11 >> 219 1 7.606 . . . . . . . . . . . . 8 18863 11 >> 219 2 1.453 . . . . . . . . . . . . 8 18863 11 >> 219 3 118.181 . . . . . . . . . . . . 8 18863 11 >> 220 1 7.606 . . . . . . . . . . . . 8 18863 11 >> 220 2 0.775 . . . . . . . . . . . . 8 18863 11 >> 220 3 118.122 . . . . . . . . . . . . 8 18863 11 >> 223 1 7.844 . . . . . . . . . . . . 8 18863 11 >> 223 2 4.272 . . . . . . . . . . . . 8 18863 11 >> 223 3 122.724 . . . . . . . . . . . . 8 18863 11 >> 224 1 7.848 . . . . . . . . . . . . 8 18863 11 >> 224 2 3.666 . . . . . . . . . . . . 8 18863 11 >> 224 3 122.707 . . . . . . . . . . . . 8 18863 11 >> 226 1 7.845 . . . . . . . . . . . . 8 18863 11 >> 226 2 1.673 . . . . . . . . . . . . 8 18863 11 >> 226 3 122.660 . . . . . . . . . . . . 8 18863 11 >> 228 1 7.959 . . . . . . . . . . . . 8 18863 11 >> 228 2 3.822 . . . . . . . . . . . . 8 18863 11 >> 228 3 123.689 . . . . . . . . . . . . 8 18863 11 >> 229 1 7.959 . . . . . . . . . . . . 8 18863 11 >> 229 2 1.413 . . . . . . . . . . . . 8 18863 11 >> 229 3 123.698 . . . . . . . . . . . . 8 18863 11 >> 233 1 7.934 . . . . . . . . . . . . 8 18863 11 >> 233 2 4.250 . . . . . . . . . . . . 8 18863 11 >> 233 3 117.694 . . . . . . . . . . . . 8 18863 11 >> 235 1 7.931 . . . . . . . . . . . . 8 18863 11 >> 235 2 1.287 . . . . . . . . . . . . 8 18863 11 >> 235 3 117.720 . . . . . . . . . . . . 8 18863 11 >> 236 1 7.862 . . . . . . . . . . . . 8 18863 11 >> 236 2 4.082 . . . . . . . . . . . . 8 18863 11 >> 236 3 117.065 . . . . . . . . . . . . 8 18863 11 >> 242 1 7.837 . . . . . . . . . . . . 8 18863 11 >> 242 2 1.261 . . . . . . . . . . . . 8 18863 11 >> 242 3 121.661 . . . . . . . . . . . . 8 18863 11 >> 244 1 7.882 . . . . . . . . . . . . 8 18863 11 >> 244 2 1.262 . . . . . . . . . . . . 8 18863 11 >> 244 3 116.656 . . . . . . . . . . . . 8 18863 11 >> 249 1 7.731 . . . . . . . . . . . . 8 18863 11 >> 249 2 2.085 . . . . . . . . . . . . 8 18863 11 >> 249 3 117.068 . . . . . . . . . . . . 8 18863 11 >> 250 1 7.732 . . . . . . . . . . . . 8 18863 11 >> 250 2 0.864 . . . . . . . . . . . . 8 18863 11 >> 250 3 117.105 . . . . . . . . . . . . 8 18863 11 >> 251 1 8.062 . . . . . . . . . . . . 8 18863 11 >> 251 2 4.063 . . . . . . . . . . . . 8 18863 11 >> 251 3 122.869 . . . . . . . . . . . . 8 18863 11 >> 261 1 7.847 . . . . . . . . . . . . 8 18863 11 >> 261 2 1.521 . . . . . . . . . . . . 8 18863 11 >> 261 3 119.422 . . . . . . . . . . . . 8 18863 11 >> 267 1 7.843 . . . . . . . . . . . . 8 18863 11 >> 267 2 1.492 . . . . . . . . . . . . 8 18863 11 >> 267 3 117.662 . . . . . . . . . . . . 8 18863 11 >> 282 1 7.626 . . . . . . . . . . . . 8 18863 11 >> 282 2 1.747 . . . . . . . . . . . . 8 18863 11 >> 282 3 119.372 . . . . . . . . . . . . 8 18863 11 >> 286 1 8.152 . . . . . . . . . . . . 8 18863 11 >> 286 2 1.294 . . . . . . . . . . . . 8 18863 11 >> 286 3 122.614 . . . . . . . . . . . . 8 18863 11 >> 292 1 7.848 . . . . . . . . . . . . 8 18863 11 >> 292 2 4.150 . . . . . . . . . . . . 8 18863 11 >> 292 3 120.607 . . . . . . . . . . . . 8 18863 11 >> 294 1 8.287 . . . . . . . . . . . . 8 18863 11 >> 294 2 1.916 . . . . . . . . . . . . 8 18863 11 >> 294 3 120.202 . . . . . . . . . . . . 8 18863 11 >> 295 1 8.246 . . . . . . . . . . . . 8 18863 11 >> 295 2 3.955 . . . . . . . . . . . . 8 18863 11 >> 295 3 120.135 . . . . . . . . . . . . 8 18863 11 >> 296 1 7.615 . . . . . . . . . . . . 8 18863 11 >> 296 2 3.958 . . . . . . . . . . . . 8 18863 11 >> 296 3 120.055 . . . . . . . . . . . . 8 18863 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 . . 8.048 . 1 1 1 21 LEU H . . . . . . 99 . 18863 11 >> 1 2 . 1 . . 8.193 . 1 1 1 22 GLU H . . . . . . 87 . 18863 11 >> 1 3 . 1 . . 118.811 . 1 1 1 21 LEU N . . . . . . 100 . 18863 11 >> 2 1 . 1 . . 8.196 . 1 1 1 22 GLU H . . . . . . 87 . 18863 11 >> 2 2 . 1 . . 8.032 . 1 1 1 21 LEU H . . . . . . 99 . 18863 11 >> 2 3 . 1 . . 119.390 . 1 1 1 22 GLU N . . . . . . 88 . 18863 11 >> 3 1 . 1 . . 8.201 . 1 1 1 22 GLU H . . . . . . 87 . 18863 11 >> 3 2 . 1 . . 8.389 . 1 1 1 23 ASN H . . . . . . 101 . 18863 11 >> 3 3 . 1 . . 119.306 . 1 1 1 22 GLU N . . . . . . 88 . 18863 11 >> 4 1 . 1 . . 8.385 . 1 1 1 23 ASN H . . . . . . 101 . 18863 11 >> 4 2 . 1 . . 8.185 . 1 1 1 22 GLU H . . . . . . 87 . 18863 11 >> 4 3 . 1 . . 118.306 . 1 1 1 23 ASN N . . . . . . 102 . 18863 11 >> 5 1 . 1 . . 8.397 . 1 1 1 23 ASN H . . . . . . 101 . 18863 11 >> 5 2 . 1 . . 7.951 . 1 1 1 24 LEU H . . . . . . 43 . 18863 11 >> 5 3 . 1 . . 118.323 . 1 1 1 23 ASN N . . . . . . 102 . 18863 11 >> 6 1 . 1 . . 7.946 . 1 1 1 24 LEU H . . . . . . 43 . 18863 11 >> 6 2 . 1 . . 8.379 . 1 1 1 23 ASN H . . . . . . 101 . 18863 11 >> 6 3 . 1 . . 120.880 . 1 1 1 24 LEU N . . . . . . 44 . 18863 11 >> 7 1 . 1 . . 7.947 . 1 1 1 24 LEU H . . . . . . 43 . 18863 11 >> 7 2 . 1 . . 8.145 . 1 1 1 25 VAL H . . . . . . 41 . 18863 11 >> 7 3 . 1 . . 120.794 . 1 1 1 24 LEU N . . . . . . 44 . 18863 11 >> 8 1 . 1 . . 8.149 . 1 1 1 25 VAL H . . . . . . 41 . 18863 11 >> 8 2 . 1 . . 7.933 . 1 1 1 24 LEU H . . . . . . 43 . 18863 11 >> 8 3 . 1 . . 120.839 . 1 1 1 25 VAL N . . . . . . 42 . 18863 11 >> 9 1 . 1 . . 8.152 . 1 1 1 25 VAL H . . . . . . 41 . 18863 11 >> 9 2 . 1 . . 3.620 . 1 1 1 25 VAL HA . . . . . . 261 . 18863 11 >> 9 3 . 1 . . 120.816 . 1 1 1 25 VAL N . . . . . . 42 . 18863 11 >> 10 1 . 1 . . 7.946 . 1 1 1 24 LEU H . . . . . . 43 . 18863 11 >> 10 2 . 1 . . 4.018 . 1 1 1 24 LEU HA . . . . . . 584 . 18863 11 >> 10 2 . 2 . . 4.018 . 1 1 1 20 ALA HA . . . . . . 244 . 18863 11 >> 10 2 . 3 . . 4.018 . 1 1 1 21 LEU HA . . . . . . 247 . 18863 11 >> 10 3 . 1 . . 120.953 . 1 1 1 24 LEU N . . . . . . 44 . 18863 11 >> 11 1 . 1 . . 8.392 . 1 1 1 23 ASN H . . . . . . 101 . 18863 11 >> 11 2 . 1 . . 4.344 . 1 1 1 23 ASN HA . . . . . . 257 . 18863 11 >> 11 3 . 1 . . 118.286 . 1 1 1 23 ASN N . . . . . . 102 . 18863 11 >> 12 1 . 1 . . 8.192 . 1 1 1 22 GLU H . . . . . . 87 . 18863 11 >> 12 2 . 1 . . 3.925 . 1 1 1 22 GLU HA . . . . . . 468 . 18863 11 >> 12 3 . 1 . . 119.300 . 1 1 1 22 GLU N . . . . . . 88 . 18863 11 >> 13 1 . 1 . . 8.041 . 1 1 1 21 LEU H . . . . . . 99 . 18863 11 >> 13 2 . 1 . . 4.044 . 1 1 1 21 LEU HA . . . . . . 247 . 18863 11 >> 13 2 . 2 . . 4.044 . 1 1 1 20 ALA HA . . . . . . 244 . 18863 11 >> 13 3 . 1 . . 118.746 . 1 1 1 21 LEU N . . . . . . 100 . 18863 11 >> 14 1 . 1 . . 8.198 . 1 1 1 22 GLU H . . . . . . 87 . 18863 11 >> 14 2 . 1 . . 4.040 . 1 1 1 21 LEU HA . . . . . . 247 . 18863 11 >> 14 3 . 1 . . 119.335 . 1 1 1 22 GLU N . . . . . . 88 . 18863 11 >> 15 1 . 1 . . 8.394 . 1 1 1 23 ASN H . . . . . . 101 . 18863 11 >> 15 2 . 1 . . 4.046 . 1 1 1 21 LEU HA . . . . . . 247 . 18863 11 >> 15 2 . 2 . . 4.046 . 1 1 1 20 ALA HA . . . . . . 244 . 18863 11 >> 15 3 . 1 . . 118.248 . 1 1 1 23 ASN N . . . . . . 102 . 18863 11 >> 16 1 . 1 . . 8.352 . 1 1 1 27 LEU H . . . . . . 45 . 18863 11 >> 16 2 . 1 . . 8.552 . 1 1 1 28 ASN H . . . . . . 61 . 18863 11 >> 16 3 . 1 . . 120.998 . 1 1 1 27 LEU N . . . . . . 46 . 18863 11 >> 17 1 . 1 . . 8.544 . 1 1 1 28 ASN H . . . . . . 61 . 18863 11 >> 17 2 . 1 . . 8.308 . 1 1 1 27 LEU H . . . . . . 45 . 18863 11 >> 17 3 . 1 . . 120.200 . 1 1 1 28 ASN N . . . . . . 62 . 18863 11 >> 18 1 . 1 . . 8.350 . 1 1 1 27 LEU H . . . . . . 45 . 18863 11 >> 18 2 . 1 . . 4.017 . 1 1 1 27 LEU HA . . . . . . 585 . 18863 11 >> 18 3 . 1 . . 121.021 . 1 1 1 27 LEU N . . . . . . 46 . 18863 11 >> 19 1 . 1 . . 8.547 . 1 1 1 28 ASN H . . . . . . 61 . 18863 11 >> 19 2 . 1 . . 4.405 . 1 1 1 28 ASN HA . . . . . . 268 . 18863 11 >> 19 3 . 1 . . 120.120 . 1 1 1 28 ASN N . . . . . . 62 . 18863 11 >> 20 1 . 1 . . 8.474 . 1 1 1 29 ALA H . . . . . . 11 . 18863 11 >> 20 2 . 1 . . 3.980 . 1 1 1 29 ALA HA . . . . . . 272 . 18863 11 >> 20 3 . 1 . . 123.303 . 1 1 1 29 ALA N . . . . . . 12 . 18863 11 >> 21 1 . 1 . . 8.555 . 1 1 1 28 ASN H . . . . . . 61 . 18863 11 >> 21 2 . 1 . . 3.994 . 1 1 1 27 LEU HA . . . . . . 585 . 18863 11 >> 21 2 . 2 . . 3.994 . 1 1 1 24 LEU HA . . . . . . 584 . 18863 11 >> 21 3 . 1 . . 119.966 . 1 1 1 28 ASN N . . . . . . 62 . 18863 11 >> 22 1 . 1 . . 8.474 . 1 1 1 29 ALA H . . . . . . 11 . 18863 11 >> 22 2 . 1 . . 3.599 . 1 1 1 25 VAL HA . . . . . . 261 . 18863 11 >> 22 3 . 1 . . 123.450 . 1 1 1 29 ALA N . . . . . . 12 . 18863 11 >> 23 1 . 1 . . 8.554 . 1 1 1 30 ALA H . . . . . . 47 . 18863 11 >> 23 2 . 1 . . 8.192 . 1 1 1 31 SER H . . . . . . 137 . 18863 11 >> 23 3 . 1 . . 120.991 . 1 1 1 30 ALA N . . . . . . 48 . 18863 11 >> 24 1 . 1 . . 8.200 . 1 1 1 31 SER H . . . . . . 137 . 18863 11 >> 24 2 . 1 . . 8.558 . 1 1 1 30 ALA H . . . . . . 47 . 18863 11 >> 24 3 . 1 . . 115.997 . 1 1 1 31 SER N . . . . . . 138 . 18863 11 >> 25 1 . 1 . . 8.146 . 1 1 1 32 VAL H . . . . . . 15 . 18863 11 >> 25 2 . 1 . . 8.314 . 1 1 1 33 ALA H . . . . . . 9 . 18863 11 >> 25 3 . 1 . . 122.908 . 1 1 1 32 VAL N . . . . . . 16 . 18863 11 >> 26 1 . 1 . . 8.298 . 1 1 1 33 ALA H . . . . . . 9 . 18863 11 >> 26 2 . 1 . . 8.147 . 1 1 1 32 VAL H . . . . . . 15 . 18863 11 >> 26 3 . 1 . . 123.405 . 1 1 1 33 ALA N . . . . . . 10 . 18863 11 >> 27 1 . 1 . . 8.297 . 1 1 1 33 ALA H . . . . . . 9 . 18863 11 >> 27 2 . 1 . . 8.601 . 1 1 1 34 GLY H . . . . . . 155 . 18863 11 >> 27 3 . 1 . . 123.252 . 1 1 1 33 ALA N . . . . . . 10 . 18863 11 >> 28 1 . 1 . . 8.551 . 1 1 1 30 ALA H . . . . . . 47 . 18863 11 >> 28 2 . 1 . . 4.038 . 1 1 1 27 LEU HA . . . . . . 585 . 18863 11 >> 28 2 . 2 . . 4.038 . 1 1 1 30 ALA HA . . . . . . 289 . 18863 11 >> 28 3 . 1 . . 120.999 . 1 1 1 30 ALA N . . . . . . 48 . 18863 11 >> 29 1 . 1 . . 8.201 . 1 1 1 31 SER H . . . . . . 137 . 18863 11 >> 29 2 . 1 . . 4.068 . 1 1 1 31 SER HB2 . . . . . . 278 . 18863 11 >> 29 3 . 1 . . 115.983 . 1 1 1 31 SER N . . . . . . 138 . 18863 11 >> 30 1 . 1 . . 8.201 . 1 1 1 31 SER H . . . . . . 137 . 18863 11 >> 30 2 . 1 . . 3.978 . 1 1 1 31 SER HB2 . . . . . . 278 . 18863 11 >> 30 3 . 1 . . 115.999 . 1 1 1 31 SER N . . . . . . 138 . 18863 11 >> 31 1 . 1 . . 8.201 . 1 1 1 31 SER H . . . . . . 137 . 18863 11 >> 31 2 . 1 . . 4.151 . 1 1 1 31 SER HA . . . . . . 276 . 18863 11 >> 31 3 . 1 . . 115.943 . 1 1 1 31 SER N . . . . . . 138 . 18863 11 >> 32 1 . 1 . . 8.142 . 1 1 1 32 VAL H . . . . . . 15 . 18863 11 >> 32 2 . 1 . . 3.644 . 1 1 1 32 VAL HA . . . . . . 283 . 18863 11 >> 32 3 . 1 . . 122.884 . 1 1 1 32 VAL N . . . . . . 16 . 18863 11 >> 33 1 . 1 . . 8.144 . 1 1 1 32 VAL H . . . . . . 15 . 18863 11 >> 33 2 . 1 . . 3.962 . 1 1 1 29 ALA HA . . . . . . 272 . 18863 11 >> 34 1 . 1 . . 8.291 . 1 1 1 33 ALA H . . . . . . 9 . 18863 11 >> 34 2 . 2 . . 3.985 . 1 1 1 29 ALA HA . . . . . . 272 . 18863 11 >> 34 3 . 1 . . 123.380 . 1 1 1 33 ALA N . . . . . . 10 . 18863 11 >> 35 1 . 1 . . 8.595 . 1 1 1 34 GLY H . . . . . . 155 . 18863 11 >> 35 2 . 1 . . 3.850 . 1 1 1 34 GLY HA2 . . . . . . 298 . 18863 11 >> 35 2 . 2 . . 3.850 . 1 1 1 34 GLY HA3 . . . . . . 485 . 18863 11 >> 35 3 . 1 . . 107.404 . 1 1 1 34 GLY N . . . . . . 156 . 18863 11 >> 36 1 . 1 . . 8.595 . 1 1 1 34 GLY H . . . . . . 155 . 18863 11 >> 36 2 . 1 . . 4.086 . 1 1 1 31 SER HB3 . . . . . . 280 . 18863 11 >> 36 2 . 2 . . 4.086 . 1 1 1 35 ALA HA . . . . . . 292 . 18863 11 >> 36 2 . 3 . . 4.086 . 1 1 1 33 ALA HA . . . . . . 285 . 18863 11 >> 36 3 . 1 . . 107.378 . 1 1 1 34 GLY N . . . . . . 156 . 18863 11 >> 37 1 . 1 . . 8.594 . 1 1 1 34 GLY H . . . . . . 155 . 18863 11 >> 37 2 . 1 . . 8.312 . 1 1 1 33 ALA H . . . . . . 9 . 18863 11 >> 37 2 . 2 . . 8.312 . 1 1 1 35 ALA H . . . . . . 5 . 18863 11 >> 37 3 . 1 . . 107.408 . 1 1 1 34 GLY N . . . . . . 156 . 18863 11 >> 38 1 . 1 . . 8.317 . 1 1 1 35 ALA H . . . . . . 5 . 18863 11 >> 38 2 . 1 . . 8.590 . 1 1 1 34 GLY H . . . . . . 155 . 18863 11 >> 38 3 . 1 . . 124.887 . 1 1 1 35 ALA N . . . . . . 6 . 18863 11 >> 39 1 . 1 . . 8.315 . 1 1 1 35 ALA H . . . . . . 5 . 18863 11 >> 39 2 . 1 . . 8.451 . 1 1 1 36 HIS H . . . . . . 133 . 18863 11 >> 39 3 . 1 . . 125.008 . 1 1 1 35 ALA N . . . . . . 6 . 18863 11 >> 40 1 . 1 . . 8.423 . 1 1 1 36 HIS H . . . . . . 133 . 18863 11 >> 40 2 . 1 . . 8.553 . 1 1 1 37 GLY H . . . . . . 145 . 18863 11 >> 40 3 . 1 . . 116.101 . 1 1 1 36 HIS N . . . . . . 134 . 18863 11 >> 41 1 . 1 . . 8.315 . 1 1 1 35 ALA H . . . . . . 5 . 18863 11 >> 41 2 . 1 . . 4.099 . 1 1 1 35 ALA HA . . . . . . 292 . 18863 11 >> 41 3 . 1 . . 124.812 . 1 1 1 35 ALA N . . . . . . 6 . 18863 11 >> 42 1 . 1 . . 8.315 . 1 1 1 35 ALA H . . . . . . 5 . 18863 11 >> 42 2 . 1 . . 3.849 . 1 1 1 34 GLY HA2 . . . . . . 298 . 18863 11 >> 42 2 . 2 . . 3.849 . 1 1 1 34 GLY HA3 . . . . . . 485 . 18863 11 >> 42 3 . 1 . . 124.848 . 1 1 1 35 ALA N . . . . . . 6 . 18863 11 >> 44 1 . 1 . . 8.421 . 1 1 1 36 HIS H . . . . . . 133 . 18863 11 >> 44 2 . 1 . . 4.301 . 1 1 1 36 HIS HA . . . . . . 296 . 18863 11 >> 44 3 . 1 . . 115.911 . 1 1 1 36 HIS N . . . . . . 134 . 18863 11 >> 45 1 . 1 . . 8.422 . 1 1 1 36 HIS H . . . . . . 133 . 18863 11 >> 45 2 . 1 . . 4.099 . 1 1 1 35 ALA HA . . . . . . 292 . 18863 11 >> 45 2 . 2 . . 4.099 . 1 1 1 39 LEU HA . . . . . . 304 . 18863 11 >> 45 3 . 1 . . 115.971 . 1 1 1 36 HIS N . . . . . . 134 . 18863 11 >> 46 1 . 1 . . 8.539 . 1 1 1 37 GLY H . . . . . . 145 . 18863 11 >> 46 2 . 1 . . 3.957 . 1 1 1 37 GLY HA3 . . . . . . 391 . 18863 11 >> 46 2 . 2 . . 3.957 . 1 1 1 33 ALA HA . . . . . . 285 . 18863 11 >> 46 3 . 1 . . 109.962 . 1 1 1 37 GLY N . . . . . . 146 . 18863 11 >> 47 1 . 1 . . 8.542 . 1 1 1 37 GLY H . . . . . . 145 . 18863 11 >> 47 2 . 1 . . 3.831 . 1 1 1 34 GLY HA3 . . . . . . 485 . 18863 11 >> 47 2 . 2 . . 3.831 . 1 1 1 34 GLY HA2 . . . . . . 298 . 18863 11 >> 47 2 . 3 . . 3.831 . 1 1 1 37 GLY HA2 . . . . . . 290 . 18863 11 >> 47 3 . 1 . . 109.938 . 1 1 1 37 GLY N . . . . . . 146 . 18863 11 >> 48 1 . 1 . . 8.541 . 1 1 1 37 GLY H . . . . . . 145 . 18863 11 >> 48 2 . 1 . . 8.223 . 1 1 1 38 ILE H . . . . . . 13 . 18863 11 >> 48 3 . 1 . . 110.077 . 1 1 1 37 GLY N . . . . . . 146 . 18863 11 >> 49 1 . 1 . . 8.207 . 1 1 1 38 ILE H . . . . . . 13 . 18863 11 >> 49 2 . 1 . . 8.538 . 1 1 1 37 GLY H . . . . . . 145 . 18863 11 >> 49 3 . 1 . . 122.889 . 1 1 1 38 ILE N . . . . . . 14 . 18863 11 >> 50 1 . 1 . . 8.214 . 1 1 1 38 ILE H . . . . . . 13 . 18863 11 >> 50 2 . 1 . . 4.061 . 1 1 1 35 ALA HA . . . . . . 292 . 18863 11 >> 50 3 . 1 . . 123.016 . 1 1 1 38 ILE N . . . . . . 14 . 18863 11 >> 51 1 . 1 . . 8.214 . 1 1 1 38 ILE H . . . . . . 13 . 18863 11 >> 51 2 . 1 . . 3.841 . 1 1 1 38 ILE HA . . . . . . 302 . 18863 11 >> 51 2 . 2 . . 3.841 . 1 1 1 37 GLY HA2 . . . . . . 290 . 18863 11 >> 51 3 . 1 . . 122.901 . 1 1 1 38 ILE N . . . . . . 14 . 18863 11 >> 52 1 . 1 . . 8.108 . 1 1 1 39 LEU H . . . . . . 51 . 18863 11 >> 52 2 . 1 . . 4.094 . 1 1 1 39 LEU HA . . . . . . 304 . 18863 11 >> 52 3 . 1 . . 120.551 . 1 1 1 39 LEU N . . . . . . 52 . 18863 11 >> 53 1 . 1 . . 8.106 . 1 1 1 39 LEU H . . . . . . 51 . 18863 11 >> 53 2 . 1 . . 3.830 . 1 1 1 38 ILE HA . . . . . . 302 . 18863 11 >> 53 2 . 2 . . 3.830 . 1 1 1 37 GLY HA2 . . . . . . 290 . 18863 11 >> 53 3 . 1 . . 120.543 . 1 1 1 39 LEU N . . . . . . 52 . 18863 11 >> 54 1 . 1 . . 8.176 . 1 1 1 40 SER H . . . . . . 141 . 18863 11 >> 54 2 . 5 . . 3.831 . 1 1 1 40 SER HB2 . . . . . . 308 . 18863 11 >> 54 2 . 6 . . 3.831 . 1 1 1 40 SER HA . . . . . . 311 . 18863 11 >> 54 3 . 1 . . 114.542 . 1 1 1 40 SER N . . . . . . 142 . 18863 11 >> 55 1 . 1 . . 8.132 . 1 1 1 44 PHE H . . . . . . 39 . 18863 11 >> 55 2 . 1 . . 8.302 . 1 1 1 43 VAL H . . . . . . 63 . 18863 11 >> 55 3 . 1 . . 120.896 . 1 1 1 44 PHE N . . . . . . 40 . 18863 11 >> 56 1 . 1 . . 8.130 . 1 1 1 44 PHE H . . . . . . 39 . 18863 11 >> 56 2 . 1 . . 8.464 . 1 1 1 45 PHE H . . . . . . 85 . 18863 11 >> 56 3 . 1 . . 120.982 . 1 1 1 44 PHE N . . . . . . 40 . 18863 11 >> 57 1 . 1 . . 8.477 . 1 1 1 45 PHE H . . . . . . 85 . 18863 11 >> 57 2 . 1 . . 8.129 . 1 1 1 44 PHE H . . . . . . 39 . 18863 11 >> 57 3 . 1 . . 119.100 . 1 1 1 45 PHE N . . . . . . 86 . 18863 11 >> 58 1 . 1 . . 8.135 . 1 1 1 44 PHE H . . . . . . 39 . 18863 11 >> 58 2 . 2 . . 3.973 . 1 1 1 44 PHE HA . . . . . . 323 . 18863 11 >> 58 3 . 1 . . 120.886 . 1 1 1 44 PHE N . . . . . . 40 . 18863 11 >> 59 1 . 1 . . 8.182 . 1 1 1 46 CYS H . . . . . . 31 . 18863 11 >> 59 2 . 1 . . 3.989 . 1 1 1 46 CYS HA . . . . . . 507 . 18863 11 >> 59 3 . 1 . . 121.556 . 1 1 1 46 CYS N . . . . . . 32 . 18863 11 >> 60 1 . 1 . . 7.995 . 1 1 1 48 ALA H . . . . . . 91 . 18863 11 >> 60 2 . 1 . . 4.031 . 1 1 1 47 ALA HA . . . . . . 408 . 18863 11 >> 60 3 . 1 . . 119.524 . 1 1 1 48 ALA N . . . . . . 92 . 18863 11 >> 61 1 . 1 . . 7.518 . 1 1 1 54 ARG H . . . . . . 105 . 18863 11 >> 61 2 . 1 . . 8.010 . 1 1 1 53 GLY H . . . . . . 182 . 18863 11 >> 61 3 . 1 . . 118.308 . 1 1 1 54 ARG N . . . . . . 106 . 18863 11 >> 62 1 . 1 . . 8.008 . 1 1 1 53 GLY H . . . . . . 182 . 18863 11 >> 62 2 . 1 . . 7.525 . 1 1 1 54 ARG H . . . . . . 105 . 18863 11 >> 62 3 . 1 . . 106.045 . 1 1 1 53 GLY N . . . . . . 162 . 18863 11 >> 63 1 . 1 . . 7.614 . 1 1 1 55 LEU H . . . . . . 111 . 18863 11 >> 63 2 . 1 . . 7.546 . 1 1 1 54 ARG H . . . . . . 105 . 18863 11 >> 63 3 . 1 . . 118.015 . 1 1 1 55 LEU N . . . . . . 112 . 18863 11 >> 64 1 . 1 . . 7.608 . 1 1 1 55 LEU H . . . . . . 111 . 18863 11 >> 64 2 . 1 . . 7.840 . 1 1 1 56 ALA H . . . . . . 27 . 18863 11 >> 64 3 . 1 . . 118.146 . 1 1 1 55 LEU N . . . . . . 112 . 18863 11 >> 65 2 . 1 . . 7.967 . 1 1 1 59 ALA H . . . . . . 7 . 18863 11 >> 65 3 . 1 . . 106.229 . 1 1 1 58 GLY N . . . . . . 164 . 18863 11 >> 66 1 . 1 . . 7.956 . 1 1 1 59 ALA H . . . . . . 7 . 18863 11 >> 66 3 . 1 . . 123.638 . 1 1 1 59 ALA N . . . . . . 8 . 18863 11 >> 67 1 . 1 . . 7.960 . 1 1 1 59 ALA H . . . . . . 7 . 18863 11 >> 67 2 . 1 . . 8.099 . 1 1 1 60 ALA H . . . . . . 65 . 18863 11 >> 67 3 . 1 . . 123.724 . 1 1 1 59 ALA N . . . . . . 8 . 18863 11 >> 68 1 . 1 . . 8.080 . 1 1 1 60 ALA H . . . . . . 65 . 18863 11 >> 68 2 . 2 . . 7.866 . 1 1 1 61 TYR H . . . . . . 119 . 18863 11 >> 68 3 . 1 . . 120.337 . 1 1 1 60 ALA N . . . . . . 66 . 18863 11 >> 69 1 . 1 . . 7.998 . 1 1 1 53 GLY H . . . . . . 182 . 18863 11 >> 69 2 . 1 . . 3.677 . 1 1 1 53 GLY HA3 . . . . . . 424 . 18863 11 >> 69 3 . 1 . . 106.136 . 1 1 1 53 GLY N . . . . . . 162 . 18863 11 >> 70 1 . 1 . . 8.001 . 1 1 1 53 GLY H . . . . . . 182 . 18863 11 >> 70 2 . 1 . . 3.519 . 1 1 1 53 GLY HA2 . . . . . . 422 . 18863 11 >> 70 3 . 1 . . 106.032 . 1 1 1 53 GLY N . . . . . . 162 . 18863 11 >> 71 1 . 1 . . 7.518 . 1 1 1 54 ARG H . . . . . . 105 . 18863 11 >> 71 2 . 1 . . 4.036 . 1 1 1 54 ARG HA . . . . . . 332 . 18863 11 >> 71 3 . 1 . . 118.334 . 1 1 1 54 ARG N . . . . . . 106 . 18863 11 >> 72 1 . 1 . . 7.607 . 1 1 1 55 LEU H . . . . . . 111 . 18863 11 >> 72 2 . 1 . . 4.256 . 1 1 1 55 LEU HA . . . . . . 334 . 18863 11 >> 72 3 . 1 . . 118.093 . 1 1 1 55 LEU N . . . . . . 112 . 18863 11 >> 73 2 . 1 . . 3.828 . 1 1 1 58 GLY HA2 . . . . . . 340 . 18863 11 >> 73 2 . 2 . . 3.828 . 1 1 1 58 GLY HA3 . . . . . . 430 . 18863 11 >> 73 3 . 1 . . 106.251 . 1 1 1 58 GLY N . . . . . . 164 . 18863 11 >> 74 1 . 1 . . 7.957 . 1 1 1 59 ALA H . . . . . . 7 . 18863 11 >> 74 3 . 1 . . 123.680 . 1 1 1 59 ALA N . . . . . . 8 . 18863 11 >> 75 1 . 1 . . 8.081 . 1 1 1 60 ALA H . . . . . . 65 . 18863 11 >> 75 2 . 1 . . 4.081 . 1 1 1 60 ALA HA . . . . . . 346 . 18863 11 >> 75 3 . 1 . . 120.268 . 1 1 1 60 ALA N . . . . . . 66 . 18863 11 >> 77 1 . 1 . . 7.863 . 1 1 1 61 TYR H . . . . . . 119 . 18863 11 >> 77 2 . 1 . . 8.078 . 1 1 1 60 ALA H . . . . . . 65 . 18863 11 >> 77 3 . 1 . . 117.039 . 1 1 1 61 TYR N . . . . . . 120 . 18863 11 >> 78 1 . 1 . . 7.864 . 1 1 1 61 TYR H . . . . . . 119 . 18863 11 >> 78 2 . 1 . . 4.286 . 1 1 1 61 TYR HA . . . . . . 348 . 18863 11 >> 78 3 . 1 . . 117.022 . 1 1 1 61 TYR N . . . . . . 120 . 18863 11 >> 79 2 . 1 . . 4.284 . 1 1 1 61 TYR HA . . . . . . 348 . 18863 11 >> 79 3 . 1 . . 106.321 . 1 1 1 58 GLY N . . . . . . 164 . 18863 11 >> 80 1 . 1 . . 8.080 . 1 1 1 60 ALA H . . . . . . 65 . 18863 11 >> 80 2 . 1 . . 4.293 . 1 1 1 61 TYR HA . . . . . . 348 . 18863 11 >> 80 2 . 2 . . 4.293 . 1 1 1 57 PRO HA . . . . . . 653 . 18863 11 >> 80 3 . 1 . . 120.265 . 1 1 1 60 ALA N . . . . . . 66 . 18863 11 >> 81 1 . 1 . . 7.613 . 1 1 1 55 LEU H . . . . . . 111 . 18863 11 >> 81 2 . 1 . . 4.044 . 1 1 1 54 ARG HA . . . . . . 332 . 18863 11 >> 81 3 . 1 . . 118.161 . 1 1 1 55 LEU N . . . . . . 112 . 18863 11 >> 82 1 . 1 . . 7.515 . 1 1 1 54 ARG H . . . . . . 105 . 18863 11 >> 82 2 . 1 . . 3.509 . 1 1 1 53 GLY HA2 . . . . . . 422 . 18863 11 >> 82 3 . 1 . . 118.201 . 1 1 1 54 ARG N . . . . . . 106 . 18863 11 >> 83 1 . 1 . . 7.968 . 1 1 1 65 GLY H . . . . . . 159 . 18863 11 >> 83 2 . 1 . . 7.717 . 1 1 1 66 VAL H . . . . . . 121 . 18863 11 >> 83 3 . 1 . . 106.782 . 1 1 1 65 GLY N . . . . . . 160 . 18863 11 >> 84 1 . 1 . . 7.965 . 1 1 1 65 GLY H . . . . . . 159 . 18863 11 >> 84 2 . 1 . . 3.770 . 1 1 1 65 GLY HA2 . . . . . . 441 . 18863 11 >> 84 3 . 1 . . 106.785 . 1 1 1 65 GLY N . . . . . . 160 . 18863 11 >> 85 1 . 1 . . 7.745 . 1 1 1 66 VAL H . . . . . . 121 . 18863 11 >> 85 2 . 1 . . 4.087 . 1 1 1 66 VAL HA . . . . . . 360 . 18863 11 >> 85 3 . 1 . . 117.115 . 1 1 1 66 VAL N . . . . . . 122 . 18863 11 >> 86 1 . 1 . . 7.969 . 1 1 1 65 GLY H . . . . . . 159 . 18863 11 >> 86 2 . 1 . . 4.276 . 1 1 1 61 TYR HA . . . . . . 348 . 18863 11 >> 86 3 . 1 . . 106.778 . 1 1 1 65 GLY N . . . . . . 160 . 18863 11 >> 87 1 . 1 . . 8.052 . 1 1 1 64 TYR H . . . . . . 129 . 18863 11 >> 87 2 . 1 . . 4.321 . 1 1 1 64 TYR HA . . . . . . 354 . 18863 11 >> 87 3 . 1 . . 117.120 . 1 1 1 64 TYR N . . . . . . 130 . 18863 11 >> 88 1 . 1 . . 7.835 . 1 1 1 62 ALA H . . . . . . 33 . 18863 11 >> 88 2 . 1 . . 3.988 . 1 1 1 62 ALA HA . . . . . . 350 . 18863 11 >> 88 3 . 1 . . 121.673 . 1 1 1 62 ALA N . . . . . . 34 . 18863 11 >> 89 1 . 1 . . 7.884 . 1 1 1 63 PHE H . . . . . . 131 . 18863 11 >> 89 2 . 1 . . 4.269 . 1 1 1 63 PHE HA . . . . . . 352 . 18863 11 >> 89 3 . 1 . . 116.467 . 1 1 1 63 PHE N . . . . . . 132 . 18863 11 >> 90 1 . 1 . . 7.739 . 1 1 1 66 VAL H . . . . . . 121 . 18863 11 >> 90 2 . 1 . . 3.812 . 1 1 1 65 GLY HA2 . . . . . . 441 . 18863 11 >> 90 3 . 1 . . 117.111 . 1 1 1 66 VAL N . . . . . . 122 . 18863 11 >> 91 1 . 1 . . 7.885 . 1 1 1 63 PHE H . . . . . . 131 . 18863 11 >> 91 2 . 1 . . 3.996 . 1 1 1 62 ALA HA . . . . . . 350 . 18863 11 >> 91 3 . 1 . . 116.530 . 1 1 1 63 PHE N . . . . . . 132 . 18863 11 >> 92 1 . 1 . . 7.833 . 1 1 1 62 ALA H . . . . . . 33 . 18863 11 >> 92 2 . 1 . . 4.281 . 1 1 1 63 PHE HA . . . . . . 352 . 18863 11 >> 92 2 . 2 . . 4.281 . 1 1 1 61 TYR HA . . . . . . 348 . 18863 11 >> 92 3 . 1 . . 121.621 . 1 1 1 62 ALA N . . . . . . 34 . 18863 11 >> 93 1 . 1 . . 8.057 . 1 1 1 67 TRP H . . . . . . 19 . 18863 11 >> 93 2 . 1 . . 7.745 . 1 1 1 66 VAL H . . . . . . 121 . 18863 11 >> 93 3 . 1 . . 122.811 . 1 1 1 67 TRP N . . . . . . 20 . 18863 11 >> 94 1 . 1 . . 7.736 . 1 1 1 66 VAL H . . . . . . 121 . 18863 11 >> 94 2 . 1 . . 8.037 . 1 1 1 67 TRP H . . . . . . 19 . 18863 11 >> 94 3 . 1 . . 117.090 . 1 1 1 66 VAL N . . . . . . 122 . 18863 11 >> 95 1 . 1 . . 8.061 . 1 1 1 67 TRP H . . . . . . 19 . 18863 11 >> 95 2 . 1 . . 4.547 . 1 1 1 67 TRP HA . . . . . . 362 . 18863 11 >> 95 3 . 1 . . 122.835 . 1 1 1 67 TRP N . . . . . . 20 . 18863 11 >> 96 1 . 1 . . 7.847 . 1 1 1 70 LEU H . . . . . . 79 . 18863 11 >> 96 3 . 1 . . 119.481 . 1 1 1 70 LEU N . . . . . . 80 . 18863 11 >> 97 2 . 1 . . 7.843 . 1 1 1 70 LEU H . . . . . . 79 . 18863 11 >> 97 3 . 1 . . 116.296 . 1 1 1 69 LEU N . . . . . . 136 . 18863 11 >> 98 2 . 1 . . 4.021 . 1 1 1 69 LEU HA . . . . . . 366 . 18863 11 >> 98 3 . 1 . . 116.290 . 1 1 1 69 LEU N . . . . . . 136 . 18863 11 >> 99 1 . 1 . . 7.848 . 1 1 1 70 LEU H . . . . . . 79 . 18863 11 >> 99 2 . 1 . . 3.906 . 1 1 1 70 LEU HA . . . . . . 370 . 18863 11 >> 99 3 . 1 . . 119.467 . 1 1 1 70 LEU N . . . . . . 80 . 18863 11 >> 100 1 . 1 . . 7.847 . 1 1 1 70 LEU H . . . . . . 79 . 18863 11 >> 100 2 . 1 . . 4.039 . 1 1 1 69 LEU HA . . . . . . 366 . 18863 11 >> 100 2 . 2 . . 4.039 . 1 1 1 66 VAL HA . . . . . . 360 . 18863 11 >> 100 3 . 1 . . 119.388 . 1 1 1 70 LEU N . . . . . . 80 . 18863 11 >> 101 1 . 1 . . 7.754 . 1 1 1 74 LEU H . . . . . . 125 . 18863 11 >> 101 2 . 1 . . 7.605 . 1 1 1 75 ALA H . . . . . . 77 . 18863 11 >> 101 3 . 1 . . 117.469 . 1 1 1 74 LEU N . . . . . . 126 . 18863 11 >> 102 1 . 1 . . 7.616 . 1 1 1 75 ALA H . . . . . . 77 . 18863 11 >> 102 2 . 1 . . 7.779 . 1 1 1 74 LEU H . . . . . . 125 . 18863 11 >> 102 3 . 1 . . 119.995 . 1 1 1 75 ALA N . . . . . . 78 . 18863 11 >> 103 1 . 1 . . 8.158 . 1 1 1 80 ALA H . . . . . . 21 . 18863 11 >> 103 2 . 1 . . 7.936 . 1 1 1 81 TYR H . . . . . . 113 . 18863 11 >> 103 3 . 1 . . 122.636 . 1 1 1 80 ALA N . . . . . . 22 . 18863 11 >> 104 1 . 1 . . 7.934 . 1 1 1 81 TYR H . . . . . . 113 . 18863 11 >> 104 2 . 1 . . 8.180 . 1 1 1 80 ALA H . . . . . . 21 . 18863 11 >> 104 3 . 1 . . 117.688 . 1 1 1 81 TYR N . . . . . . 114 . 18863 11 >> 105 1 . 1 . . 7.615 . 1 1 1 75 ALA H . . . . . . 77 . 18863 11 >> 105 2 . 1 . . 4.209 . 1 1 1 75 ALA HA . . . . . . 374 . 18863 11 >> 105 3 . 1 . . 120.035 . 1 1 1 75 ALA N . . . . . . 78 . 18863 11 >> 106 1 . 1 . . 7.754 . 1 1 1 79 ARG H . . . . . . 115 . 18863 11 >> 106 2 . 1 . . 4.090 . 1 1 1 79 ARG HA . . . . . . 501 . 18863 11 >> 106 3 . 1 . . 118.052 . 1 1 1 79 ARG N . . . . . . 116 . 18863 11 >> 107 1 . 1 . . 8.152 . 1 1 1 80 ALA H . . . . . . 21 . 18863 11 >> 107 2 . 1 . . 4.104 . 1 1 1 80 ALA HA . . . . . . 460 . 18863 11 >> 107 3 . 1 . . 122.645 . 1 1 1 80 ALA N . . . . . . 22 . 18863 11 >> 108 1 . 1 . . 7.929 . 1 1 1 81 TYR H . . . . . . 113 . 18863 11 >> 108 2 . 1 . . 4.095 . 1 1 1 81 TYR HA . . . . . . 378 . 18863 11 >> 108 3 . 1 . . 117.766 . 1 1 1 81 TYR N . . . . . . 114 . 18863 11 >> 109 1 . 1 . . 7.944 . 1 1 1 82 ALA H . . . . . . 29 . 18863 11 >> 109 2 . 1 . . 4.089 . 1 1 1 82 ALA HA . . . . . . 442 . 18863 11 >> 109 3 . 1 . . 122.280 . 1 1 1 82 ALA N . . . . . . 30 . 18863 11 >> 110 1 . 1 . . 8.475 . 1 1 1 29 ALA H . . . . . . 11 . 18863 11 >> 110 2 . 1 . . 8.579 . 1 1 1 28 ASN H . . . . . . 61 . 18863 11 >> 110 3 . 1 . . 123.010 . 1 1 1 29 ALA N . . . . . . 12 . 18863 11 >> 111 1 . 1 . . 8.551 . 1 1 1 30 ALA H . . . . . . 47 . 18863 11 >> 111 2 . 1 . . 8.459 . 1 1 1 29 ALA H . . . . . . 11 . 18863 11 >> 111 3 . 1 . . 120.417 . 1 1 1 30 ALA N . . . . . . 48 . 18863 11 >> 112 1 . 1 . . 8.170 . 1 1 1 40 SER H . . . . . . 141 . 18863 11 >> 112 2 . 1 . . 8.097 . 1 1 1 39 LEU H . . . . . . 51 . 18863 11 >> 112 3 . 1 . . 114.184 . 1 1 1 40 SER N . . . . . . 142 . 18863 11 >> 113 1 . 1 . . 8.173 . 1 1 1 40 SER H . . . . . . 141 . 18863 11 >> 113 2 . 1 . . 3.971 . 1 1 1 40 SER HB3 . . . . . . 407 . 18863 11 >> 113 3 . 1 . . 114.544 . 1 1 1 40 SER N . . . . . . 142 . 18863 11 >> 114 1 . 1 . . 8.285 . 1 1 1 43 VAL H . . . . . . 63 . 18863 11 >> 114 2 . 1 . . 8.179 . 1 1 1 44 PHE H . . . . . . 39 . 18863 11 >> 114 3 . 1 . . 120.833 . 1 1 1 43 VAL N . . . . . . 64 . 18863 11 >> 115 1 . 2 . . 8.288 . 1 1 1 43 VAL H . . . . . . 63 . 18863 11 >> 115 2 . 1 . . 4.283 . 1 1 1 43 VAL HA . . . . . . 315 . 18863 11 >> 115 3 . 2 . . 120.205 . 1 1 1 43 VAL N . . . . . . 64 . 18863 11 >> 117 1 . 1 . . 8.488 . 1 1 1 45 PHE H . . . . . . 85 . 18863 11 >> 117 3 . 1 . . 119.131 . 1 1 1 45 PHE N . . . . . . 86 . 18863 11 >> 118 1 . 1 . . 8.479 . 1 1 1 45 PHE H . . . . . . 85 . 18863 11 >> 118 2 . 1 . . 4.384 . 1 1 1 45 PHE HA . . . . . . 493 . 18863 11 >> 118 3 . 1 . . 119.281 . 1 1 1 45 PHE N . . . . . . 86 . 18863 11 >> 119 1 . 1 . . 8.175 . 1 1 1 46 CYS H . . . . . . 31 . 18863 11 >> 119 2 . 1 . . 8.558 . 1 1 1 45 PHE H . . . . . . 85 . 18863 11 >> 119 3 . 1 . . 121.610 . 1 1 1 46 CYS N . . . . . . 32 . 18863 11 >> 120 1 . 1 . . 8.081 . 1 1 1 49 TRP H . . . . . . 81 . 18863 11 >> 120 2 . 1 . . 8.232 . 1 1 1 50 TYR H . . . . . . 55 . 18863 11 >> 120 3 . 1 . . 119.513 . 1 1 1 49 TRP N . . . . . . 82 . 18863 11 >> 121 1 . 1 . . 7.911 . 1 1 1 83 ALA H . . . . . . 69 . 18863 11 >> 121 2 . 1 . . 4.099 . 1 1 1 83 ALA HA . . . . . . 447 . 18863 11 >> 121 2 . 2 . . 4.099 . 1 1 1 79 ARG HA . . . . . . 501 . 18863 11 >> 121 3 . 1 . . 120.598 . 1 1 1 83 ALA N . . . . . . 70 . 18863 11 >> 122 1 . 1 . . 8.266 . 1 1 1 20 ALA H . . . . . . 17 . 18863 11 >> 122 2 . 1 . . 4.053 . 1 1 1 20 ALA HA . . . . . . 244 . 18863 11 >> 122 3 . 1 . . 122.826 . 1 1 1 20 ALA N . . . . . . 18 . 18863 11 >> 123 1 . 1 . . 8.263 . 1 1 1 20 ALA H . . . . . . 17 . 18863 11 >> 123 2 . 1 . . 1.411 . 1 1 1 20 ALA MB . . . . . . 245 . 18863 11 >> 123 3 . 1 . . 122.727 . 1 1 1 20 ALA N . . . . . . 18 . 18863 11 >> 124 1 . 1 . . 8.047 . 1 1 1 21 LEU H . . . . . . 99 . 18863 11 >> 124 2 . 1 . . 1.731 . 1 1 1 21 LEU HB2 . . . . . . 248 . 18863 11 >> 124 2 . 2 . . 1.731 . 1 1 1 21 LEU HB3 . . . . . . 250 . 18863 11 >> 124 2 . 3 . . 1.731 . 1 1 1 21 LEU HG . . . . . . 251 . 18863 11 >> 124 3 . 1 . . 118.781 . 1 1 1 21 LEU N . . . . . . 100 . 18863 11 >> 125 1 . 1 . . 8.200 . 1 1 1 22 GLU H . . . . . . 87 . 18863 11 >> 125 2 . 1 . . 2.198 . 1 1 1 22 GLU HG2 . . . . . . 598 . 18863 11 >> 125 2 . 2 . . 2.198 . 1 1 1 22 GLU HG3 . . . . . . 599 . 18863 11 >> 125 3 . 1 . . 119.321 . 1 1 1 22 GLU N . . . . . . 88 . 18863 11 >> 126 1 . 1 . . 8.192 . 1 1 1 22 GLU H . . . . . . 87 . 18863 11 >> 126 2 . 1 . . 2.121 . 1 1 1 22 GLU HB2 . . . . . . 596 . 18863 11 >> 126 2 . 2 . . 2.121 . 1 1 1 22 GLU HB3 . . . . . . 597 . 18863 11 >> 126 3 . 1 . . 119.186 . 1 1 1 22 GLU N . . . . . . 88 . 18863 11 >> 127 1 . 1 . . 8.394 . 1 1 1 23 ASN H . . . . . . 101 . 18863 11 >> 127 2 . 1 . . 3.020 . 1 1 1 23 ASN HB2 . . . . . . 258 . 18863 11 >> 127 3 . 1 . . 118.328 . 1 1 1 23 ASN N . . . . . . 102 . 18863 11 >> 128 1 . 1 . . 8.390 . 1 1 1 23 ASN H . . . . . . 101 . 18863 11 >> 128 2 . 1 . . 2.605 . 1 1 1 23 ASN HB3 . . . . . . 260 . 18863 11 >> 128 3 . 1 . . 118.256 . 1 1 1 23 ASN N . . . . . . 102 . 18863 11 >> 129 1 . 1 . . 8.152 . 1 1 1 25 VAL H . . . . . . 41 . 18863 11 >> 129 2 . 1 . . 2.303 . 1 1 1 25 VAL HB . . . . . . 262 . 18863 11 >> 129 3 . 1 . . 120.816 . 1 1 1 25 VAL N . . . . . . 42 . 18863 11 >> 130 1 . 1 . . 8.152 . 1 1 1 25 VAL H . . . . . . 41 . 18863 11 >> 130 2 . 1 . . 1.067 . 1 1 1 25 VAL MG1 . . . . . . 264 . 18863 11 >> 130 3 . 1 . . 120.818 . 1 1 1 25 VAL N . . . . . . 42 . 18863 11 >> 131 1 . 1 . . 8.149 . 1 1 1 25 VAL H . . . . . . 41 . 18863 11 >> 131 2 . 1 . . 0.905 . 1 1 1 25 VAL MG2 . . . . . . 266 . 18863 11 >> 131 3 . 1 . . 120.821 . 1 1 1 25 VAL N . . . . . . 42 . 18863 11 >> 132 1 . 1 . . 8.547 . 1 1 1 28 ASN H . . . . . . 61 . 18863 11 >> 132 2 . 1 . . 2.899 . 1 1 1 28 ASN HB2 . . . . . . 270 . 18863 11 >> 132 3 . 1 . . 120.111 . 1 1 1 28 ASN N . . . . . . 62 . 18863 11 >> 133 1 . 1 . . 8.143 . 1 1 1 32 VAL H . . . . . . 15 . 18863 11 >> 133 2 . 1 . . 2.135 . 1 1 1 32 VAL HB . . . . . . 281 . 18863 11 >> 133 3 . 1 . . 122.937 . 1 1 1 32 VAL N . . . . . . 16 . 18863 11 >> 134 1 . 1 . . 8.145 . 1 1 1 32 VAL H . . . . . . 15 . 18863 11 >> 134 2 . 1 . . 1.042 . 1 1 1 32 VAL MG1 . . . . . . 382 . 18863 11 >> 134 3 . 1 . . 122.909 . 1 1 1 32 VAL N . . . . . . 16 . 18863 11 >> 135 1 . 1 . . 8.145 . 1 1 1 32 VAL H . . . . . . 15 . 18863 11 >> 135 2 . 1 . . 0.885 . 1 1 1 32 VAL MG2 . . . . . . 384 . 18863 11 >> 135 3 . 1 . . 122.806 . 1 1 1 32 VAL N . . . . . . 16 . 18863 11 >> 136 1 . 1 . . 8.295 . 1 1 1 33 ALA H . . . . . . 9 . 18863 11 >> 136 2 . 1 . . 2.129 . 1 1 1 32 VAL HB . . . . . . 281 . 18863 11 >> 136 3 . 1 . . 123.348 . 1 1 1 33 ALA N . . . . . . 10 . 18863 11 >> 137 1 . 1 . . 8.295 . 1 1 1 33 ALA H . . . . . . 9 . 18863 11 >> 137 2 . 1 . . 1.481 . 1 1 1 33 ALA MB . . . . . . 386 . 18863 11 >> 137 3 . 1 . . 123.423 . 1 1 1 33 ALA N . . . . . . 10 . 18863 11 >> 138 1 . 1 . . 8.288 . 1 1 1 33 ALA H . . . . . . 9 . 18863 11 >> 138 2 . 1 . . 0.884 . 1 1 1 32 VAL MG2 . . . . . . 384 . 18863 11 >> 138 3 . 1 . . 123.301 . 1 1 1 33 ALA N . . . . . . 10 . 18863 11 >> 139 1 . 1 . . 8.594 . 1 1 1 34 GLY H . . . . . . 155 . 18863 11 >> 139 2 . 1 . . 1.487 . 1 1 1 33 ALA MB . . . . . . 386 . 18863 11 >> 139 3 . 1 . . 107.373 . 1 1 1 34 GLY N . . . . . . 156 . 18863 11 >> 140 1 . 1 . . 8.314 . 1 1 1 35 ALA H . . . . . . 5 . 18863 11 >> 140 2 . 1 . . 1.497 . 1 1 1 35 ALA MB . . . . . . 389 . 18863 11 >> 140 3 . 1 . . 124.859 . 1 1 1 35 ALA N . . . . . . 6 . 18863 11 >> 141 1 . 1 . . 8.088 . 1 1 1 49 TRP H . . . . . . 81 . 18863 11 >> 141 2 . 1 . . 3.168 . 1 1 1 49 TRP HB2 . . . . . . 414 . 18863 11 >> 141 3 . 1 . . 119.415 . 1 1 1 49 TRP N . . . . . . 82 . 18863 11 >> 142 1 . 1 . . 8.088 . 1 1 1 49 TRP H . . . . . . 81 . 18863 11 >> 142 2 . 1 . . 2.877 . 1 1 1 49 TRP HB3 . . . . . . 416 . 18863 11 >> 142 3 . 1 . . 119.534 . 1 1 1 49 TRP N . . . . . . 82 . 18863 11 >> 143 1 . 1 . . 8.435 . 1 1 1 19 LYS H . . . . . . 107 . 18863 11 >> 143 2 . 1 . . 8.842 . 1 1 1 18 ASP H . . . . . . 49 . 18863 11 >> 143 3 . 1 . . 117.664 . 1 1 1 19 LYS N . . . . . . 108 . 18863 11 >> 148 1 . 1 . . 8.186 . 1 1 1 22 GLU H . . . . . . 87 . 18863 11 >> 148 2 . 1 . . 1.770 . 1 1 1 21 LEU HG . . . . . . 251 . 18863 11 >> 148 3 . 1 . . 119.329 . 1 1 1 22 GLU N . . . . . . 88 . 18863 11 >> 154 1 . 1 . . 7.947 . 1 1 1 24 LEU H . . . . . . 43 . 18863 11 >> 154 2 . 1 . . 1.740 . 1 1 1 24 LEU HG . . . . . . 603 . 18863 11 >> 154 3 . 1 . . 120.941 . 1 1 1 24 LEU N . . . . . . 44 . 18863 11 >> 159 1 . 1 . . 8.347 . 1 1 1 27 LEU H . . . . . . 45 . 18863 11 >> 159 2 . 1 . . 1.626 . 1 1 1 27 LEU HB3 . . . . . . 611 . 18863 11 >> 159 3 . 1 . . 121.011 . 1 1 1 27 LEU N . . . . . . 46 . 18863 11 >> 164 1 . 1 . . 8.553 . 1 1 1 28 ASN H . . . . . . 61 . 18863 11 >> 164 2 . 1 . . 1.606 . 1 1 1 27 LEU HB3 . . . . . . 611 . 18863 11 >> 164 3 . 1 . . 120.096 . 1 1 1 28 ASN N . . . . . . 62 . 18863 11 >> 169 1 . 1 . . 8.552 . 1 1 1 30 ALA H . . . . . . 47 . 18863 11 >> 169 2 . 1 . . 1.489 . 1 1 1 30 ALA MB . . . . . . 380 . 18863 11 >> 169 3 . 1 . . 120.939 . 1 1 1 30 ALA N . . . . . . 48 . 18863 11 >> 170 1 . 1 . . 8.201 . 1 1 1 31 SER H . . . . . . 137 . 18863 11 >> 170 2 . 1 . . 1.488 . 1 1 1 30 ALA MB . . . . . . 380 . 18863 11 >> 170 3 . 1 . . 115.946 . 1 1 1 31 SER N . . . . . . 138 . 18863 11 >> 171 1 . 1 . . 8.293 . 1 1 1 33 ALA H . . . . . . 9 . 18863 11 >> 171 2 . 1 . . 4.097 . 1 1 1 33 ALA HA . . . . . . 285 . 18863 11 >> 171 3 . 1 . . 123.390 . 1 1 1 33 ALA N . . . . . . 10 . 18863 11 >> 172 1 . 1 . . 8.297 . 1 1 1 33 ALA H . . . . . . 9 . 18863 11 >> 172 2 . 1 . . 3.642 . 1 1 1 32 VAL HA . . . . . . 283 . 18863 11 >> 172 3 . 1 . . 123.466 . 1 1 1 33 ALA N . . . . . . 10 . 18863 11 >> 178 1 . 1 . . 8.215 . 1 1 1 38 ILE H . . . . . . 13 . 18863 11 >> 178 2 . 1 . . 1.738 . 1 1 1 38 ILE HG12 . . . . . . 392 . 18863 11 >> 178 3 . 1 . . 122.939 . 1 1 1 38 ILE N . . . . . . 14 . 18863 11 >> 186 1 . 1 . . 8.093 . 1 1 1 47 ALA H . . . . . . 23 . 18863 11 >> 186 2 . 1 . . 4.285 . 1 1 1 43 VAL HA . . . . . . 315 . 18863 11 >> 186 3 . 1 . . 122.347 . 1 1 1 47 ALA N . . . . . . 24 . 18863 11 >> 187 1 . 1 . . 8.100 . 1 1 1 41 PHE H . . . . . . 193 . 18863 11 >> 187 2 . 1 . . 4.103 . 1 1 1 39 LEU HA . . . . . . 304 . 18863 11 >> 187 3 . 1 . . 122.424 . 1 1 1 41 PHE N . . . . . . 594 . 18863 11 >> 190 1 . 1 . . 8.100 . 1 1 1 41 PHE H . . . . . . 193 . 18863 11 >> 190 1 . 2 . . 8.100 . 1 1 1 47 ALA H . . . . . . 23 . 18863 11 >> 190 2 . 1 . . 1.938 . 1 1 1 43 VAL HB . . . . . . 317 . 18863 11 >> 190 3 . 1 . . 122.431 . 1 1 1 41 PHE N . . . . . . 594 . 18863 11 >> 190 3 . 2 . . 122.431 . 1 1 1 47 ALA N . . . . . . 24 . 18863 11 >> 191 1 . 1 . . 8.309 . 1 1 1 42 LEU H . . . . . . 59 . 18863 11 >> 191 2 . 1 . . 4.010 . 1 1 1 42 LEU HA . . . . . . 629 . 18863 11 >> 191 3 . 1 . . 120.174 . 1 1 1 42 LEU N . . . . . . 60 . 18863 11 >> 192 1 . 1 . . 8.318 . 1 1 1 42 LEU H . . . . . . 59 . 18863 11 >> 192 2 . 1 . . 1.631 . 1 1 1 42 LEU HG . . . . . . 754 . 18863 11 >> 192 3 . 1 . . 120.151 . 1 1 1 42 LEU N . . . . . . 60 . 18863 11 >> 193 1 . 1 . . 8.320 . 1 1 1 42 LEU H . . . . . . 59 . 18863 11 >> 193 2 . 1 . . 1.041 . 1 1 1 42 LEU MD1 . . . . . . 753 . 18863 11 >> 193 3 . 1 . . 120.148 . 1 1 1 42 LEU N . . . . . . 60 . 18863 11 >> 194 1 . 1 . . 8.313 . 1 1 1 42 LEU H . . . . . . 59 . 18863 11 >> 194 2 . 1 . . 0.851 . 1 1 1 42 LEU MD2 . . . . . . 750 . 18863 11 >> 194 3 . 1 . . 120.151 . 1 1 1 42 LEU N . . . . . . 60 . 18863 11 >> 197 1 . 1 . . 8.134 . 1 1 1 44 PHE H . . . . . . 39 . 18863 11 >> 197 2 . 1 . . 3.037 . 1 1 1 44 PHE HB2 . . . . . . 742 . 18863 11 >> 197 2 . 2 . . 3.037 . 1 1 1 44 PHE HB3 . . . . . . 743 . 18863 11 >> 197 3 . 1 . . 120.991 . 1 1 1 44 PHE N . . . . . . 40 . 18863 11 >> 198 1 . 1 . . 8.132 . 1 1 1 44 PHE H . . . . . . 39 . 18863 11 >> 198 2 . 1 . . 1.952 . 1 1 1 43 VAL HB . . . . . . 317 . 18863 11 >> 198 3 . 1 . . 120.903 . 1 1 1 44 PHE N . . . . . . 40 . 18863 11 >> 200 1 . 1 . . 8.486 . 1 1 1 45 PHE H . . . . . . 85 . 18863 11 >> 200 2 . 1 . . 3.062 . 1 1 1 45 PHE HB2 . . . . . . 744 . 18863 11 >> 200 3 . 1 . . 119.285 . 1 1 1 45 PHE N . . . . . . 86 . 18863 11 >> 201 1 . 1 . . 8.478 . 1 1 1 45 PHE H . . . . . . 85 . 18863 11 >> 201 2 . 1 . . 2.763 . 1 1 1 45 PHE HB3 . . . . . . 745 . 18863 11 >> 201 3 . 1 . . 119.270 . 1 1 1 45 PHE N . . . . . . 86 . 18863 11 >> 202 1 . 1 . . 8.480 . 1 1 1 45 PHE H . . . . . . 85 . 18863 11 >> 202 2 . 1 . . 1.946 . 1 1 1 43 VAL HB . . . . . . 317 . 18863 11 >> 202 3 . 1 . . 119.227 . 1 1 1 45 PHE N . . . . . . 86 . 18863 11 >> 203 1 . 1 . . 8.170 . 1 1 1 46 CYS H . . . . . . 31 . 18863 11 >> 203 2 . 1 . . 4.360 . 1 1 1 45 PHE HA . . . . . . 493 . 18863 11 >> 203 3 . 1 . . 121.559 . 1 1 1 46 CYS N . . . . . . 32 . 18863 11 >> 204 1 . 1 . . 8.174 . 1 1 1 46 CYS H . . . . . . 31 . 18863 11 >> 204 2 . 1 . . 2.777 . 1 1 1 45 PHE HB3 . . . . . . 745 . 18863 11 >> 204 3 . 1 . . 121.483 . 1 1 1 46 CYS N . . . . . . 32 . 18863 11 >> 206 1 . 1 . . 7.995 . 1 1 1 48 ALA H . . . . . . 91 . 18863 11 >> 206 2 . 1 . . 1.438 . 1 1 1 48 ALA MB . . . . . . 412 . 18863 11 >> 206 3 . 1 . . 119.485 . 1 1 1 48 ALA N . . . . . . 92 . 18863 11 >> 208 1 . 1 . . 8.081 . 1 1 1 49 TRP H . . . . . . 81 . 18863 11 >> 208 2 . 1 . . 1.408 . 1 1 1 48 ALA MB . . . . . . 412 . 18863 11 >> 208 3 . 1 . . 119.393 . 1 1 1 49 TRP N . . . . . . 82 . 18863 11 >> 209 1 . 1 . . 8.242 . 1 1 1 51 ILE H . . . . . . 83 . 18863 11 >> 209 2 . 1 . . 2.863 . 1 1 1 49 TRP HB3 . . . . . . 416 . 18863 11 >> 209 3 . 1 . . 120.043 . 1 1 1 51 ILE N . . . . . . 84 . 18863 11 >> 216 1 . 1 . . 7.519 . 1 1 1 54 ARG H . . . . . . 105 . 18863 11 >> 216 2 . 1 . . 1.671 . 1 1 1 54 ARG HB3 . . . . . . 499 . 18863 11 >> 216 3 . 1 . . 118.241 . 1 1 1 54 ARG N . . . . . . 106 . 18863 11 >> 218 1 . 1 . . 7.605 . 1 1 1 55 LEU H . . . . . . 111 . 18863 11 >> 218 2 . 1 . . 1.670 . 1 1 1 54 ARG HB3 . . . . . . 499 . 18863 11 >> 218 3 . 1 . . 118.116 . 1 1 1 55 LEU N . . . . . . 112 . 18863 11 >> 219 1 . 1 . . 7.606 . 1 1 1 55 LEU H . . . . . . 111 . 18863 11 >> 219 2 . 1 . . 1.453 . 1 1 1 54 ARG HG3 . . . . . . 640 . 18863 11 >> 219 3 . 1 . . 118.181 . 1 1 1 55 LEU N . . . . . . 112 . 18863 11 >> 220 1 . 1 . . 7.606 . 1 1 1 55 LEU H . . . . . . 111 . 18863 11 >> 220 2 . 1 . . 0.775 . 1 1 1 55 LEU MD2 . . . . . . 651 . 18863 11 >> 220 3 . 1 . . 118.122 . 1 1 1 55 LEU N . . . . . . 112 . 18863 11 >> 223 1 . 1 . . 7.844 . 1 1 1 56 ALA H . . . . . . 27 . 18863 11 >> 223 2 . 1 . . 4.272 . 1 1 1 55 LEU HA . . . . . . 334 . 18863 11 >> 223 3 . 1 . . 122.724 . 1 1 1 56 ALA N . . . . . . 28 . 18863 11 >> 224 1 . 1 . . 7.848 . 1 1 1 56 ALA H . . . . . . 27 . 18863 11 >> 224 2 . 1 . . 3.666 . 1 1 1 53 GLY HA3 . . . . . . 424 . 18863 11 >> 224 3 . 1 . . 122.707 . 1 1 1 56 ALA N . . . . . . 28 . 18863 11 >> 226 1 . 1 . . 7.845 . 1 1 1 56 ALA H . . . . . . 27 . 18863 11 >> 226 2 . 1 . . 1.673 . 1 1 1 54 ARG HB3 . . . . . . 499 . 18863 11 >> 226 3 . 1 . . 122.660 . 1 1 1 56 ALA N . . . . . . 28 . 18863 11 >> 228 1 . 1 . . 7.959 . 1 1 1 59 ALA H . . . . . . 7 . 18863 11 >> 228 2 . 1 . . 3.822 . 1 1 1 58 GLY HA2 . . . . . . 340 . 18863 11 >> 228 2 . 2 . . 3.822 . 1 1 1 58 GLY HA3 . . . . . . 430 . 18863 11 >> 228 3 . 1 . . 123.689 . 1 1 1 59 ALA N . . . . . . 8 . 18863 11 >> 229 1 . 1 . . 7.959 . 1 1 1 59 ALA H . . . . . . 7 . 18863 11 >> 229 2 . 1 . . 1.413 . 1 1 1 59 ALA MB . . . . . . 344 . 18863 11 >> 229 3 . 1 . . 123.698 . 1 1 1 59 ALA N . . . . . . 8 . 18863 11 >> 233 1 . 1 . . 7.934 . 1 1 1 81 TYR H . . . . . . 113 . 18863 11 >> 233 2 . 1 . . 4.250 . 1 1 1 78 PRO HA . . . . . . 751 . 18863 11 >> 233 3 . 1 . . 117.694 . 1 1 1 81 TYR N . . . . . . 114 . 18863 11 >> 235 1 . 1 . . 7.931 . 1 1 1 81 TYR H . . . . . . 113 . 18863 11 >> 235 2 . 1 . . 1.287 . 1 1 1 80 ALA MB . . . . . . 462 . 18863 11 >> 235 3 . 1 . . 117.720 . 1 1 1 81 TYR N . . . . . . 114 . 18863 11 >> 236 1 . 1 . . 7.862 . 1 1 1 61 TYR H . . . . . . 119 . 18863 11 >> 236 2 . 1 . . 4.082 . 1 1 1 60 ALA HA . . . . . . 346 . 18863 11 >> 236 3 . 1 . . 117.065 . 1 1 1 61 TYR N . . . . . . 120 . 18863 11 >> 242 1 . 1 . . 7.837 . 1 1 1 62 ALA H . . . . . . 33 . 18863 11 >> 242 2 . 1 . . 1.261 . 1 1 1 62 ALA MB . . . . . . 435 . 18863 11 >> 242 3 . 1 . . 121.661 . 1 1 1 62 ALA N . . . . . . 34 . 18863 11 >> 244 1 . 1 . . 7.882 . 1 1 1 63 PHE H . . . . . . 131 . 18863 11 >> 244 2 . 1 . . 1.262 . 1 1 1 62 ALA MB . . . . . . 435 . 18863 11 >> 244 3 . 1 . . 116.656 . 1 1 1 63 PHE N . . . . . . 132 . 18863 11 >> 249 1 . 1 . . 7.731 . 1 1 1 66 VAL H . . . . . . 121 . 18863 11 >> 249 2 . 1 . . 2.085 . 1 1 1 66 VAL HB . . . . . . 358 . 18863 11 >> 249 3 . 1 . . 117.068 . 1 1 1 66 VAL N . . . . . . 122 . 18863 11 >> 250 1 . 1 . . 7.732 . 1 1 1 66 VAL H . . . . . . 121 . 18863 11 >> 250 2 . 1 . . 0.864 . 1 1 1 66 VAL MG1 . . . . . . 682 . 18863 11 >> 250 2 . 2 . . 0.864 . 1 1 1 66 VAL MG2 . . . . . . 684 . 18863 11 >> 250 3 . 1 . . 117.105 . 1 1 1 66 VAL N . . . . . . 122 . 18863 11 >> 251 1 . 1 . . 8.062 . 1 1 1 67 TRP H . . . . . . 19 . 18863 11 >> 251 2 . 1 . . 4.063 . 1 1 1 66 VAL HA . . . . . . 360 . 18863 11 >> 251 3 . 1 . . 122.869 . 1 1 1 67 TRP N . . . . . . 20 . 18863 11 >> 261 1 . 1 . . 7.847 . 1 1 1 70 LEU H . . . . . . 79 . 18863 11 >> 261 2 . 1 . . 1.521 . 1 1 1 70 LEU HB3 . . . . . . 702 . 18863 11 >> 261 3 . 1 . . 119.422 . 1 1 1 70 LEU N . . . . . . 80 . 18863 11 >> 267 1 . 1 . . 7.843 . 1 1 1 71 LEU H . . . . . . 109 . 18863 11 >> 267 2 . 1 . . 1.492 . 1 1 1 71 LEU HG . . . . . . 749 . 18863 11 >> 267 3 . 1 . . 117.662 . 1 1 1 71 LEU N . . . . . . 110 . 18863 11 >> 282 1 . 1 . . 7.626 . 1 1 1 76 LEU H . . . . . . 97 . 18863 11 >> 282 2 . 1 . . 1.747 . 1 1 1 76 LEU HB2 . . . . . . 746 . 18863 11 >> 282 3 . 1 . . 119.372 . 1 1 1 76 LEU N . . . . . . 98 . 18863 11 >> 286 1 . 1 . . 8.152 . 1 1 1 80 ALA H . . . . . . 21 . 18863 11 >> 286 2 . 1 . . 1.294 . 1 1 1 80 ALA MB . . . . . . 462 . 18863 11 >> 286 3 . 1 . . 122.614 . 1 1 1 80 ALA N . . . . . . 22 . 18863 11 >> 292 1 . 1 . . 7.848 . 1 1 1 83 ALA H . . . . . . 69 . 18863 11 >> 292 2 . 1 . . 4.150 . 1 1 1 81 TYR HA . . . . . . 378 . 18863 11 >> 292 3 . 1 . . 120.607 . 1 1 1 83 ALA N . . . . . . 70 . 18863 11 >> 294 1 . 1 . . 8.287 . 1 1 1 43 VAL H . . . . . . 63 . 18863 11 >> 294 2 . 1 . . 1.916 . 1 1 1 43 VAL HB . . . . . . 317 . 18863 11 >> 294 3 . 1 . . 120.202 . 1 1 1 43 VAL N . . . . . . 64 . 18863 11 >> 295 1 . 1 . . 8.246 . 1 1 1 51 ILE H . . . . . . 83 . 18863 11 >> 295 2 . 1 . . 3.955 . 1 1 1 50 TYR HA . . . . . . 326 . 18863 11 >> 295 3 . 1 . . 120.135 . 1 1 1 51 ILE N . . . . . . 84 . 18863 11 >> 296 1 . 1 . . 7.615 . 1 1 1 75 ALA H . . . . . . 77 . 18863 11 >> 296 2 . 1 . . 3.958 . 1 1 1 72 LEU HA . . . . . . 706 . 18863 11 >> 296 3 . 1 . . 120.055 . 1 1 1 75 ALA N . . . . . . 78 . 18863 11 >> >> stop_ >> >>save_ >> ; save_