data_6173 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; PfR48 final project ; _BMRB_accession_number 6173 _BMRB_flat_file_name bmr6173.str _Entry_type original _Submission_date 2004-04-05 _Accession_date 2004-04-07 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Snyder David . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 coupling_constants 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 542 "13C chemical shifts" 396 "15N chemical shifts" 93 "coupling constants" 42 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-07-08 update BMRB 'added time domain data' 2006-02-26 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of the 50S Ribosomal Protein L35Ae from Pyrococcus furiosus: Northeast Strucutral Genomics Consortium target: Pfr48' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Snyder David . . 2 Aramini J. M. . 3 Huang Y. J. . 4 Xiao R. . . 5 Cort J. R. . 6 Shastry R. . . 7 Ma L. C. . 8 Liu J. . . 9 Rost B. . . 10 Acton T. B. . 11 Kennedy M. A. . 12 Montelione G. T. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_system_PfR48 _Saveframe_category molecular_system _Mol_system_name PfR48 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PfR48 $PfR48 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'ribosomal tRNA binding protein also invloved in apoptosis' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PfR48 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PfR48 _Molecular_mass 9735.5 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 95 _Mol_residue_sequence ; MRIKGVVLSYRRSKENQHNN VMIIKPLDVNSREEASKLIG RLVLWKSPSGKILKGKIVRV HGTKGAVRARFEKGLPGQAL GDYVEIVLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ARG 3 3 ILE 4 4 LYS 5 5 GLY 6 6 VAL 7 7 VAL 8 8 LEU 9 9 SER 10 10 TYR 11 11 ARG 12 12 ARG 13 13 SER 14 14 LYS 15 15 GLU 16 16 ASN 17 17 GLN 18 18 HIS 19 19 ASN 20 20 ASN 21 21 VAL 22 22 MET 23 23 ILE 24 24 ILE 25 25 LYS 26 26 PRO 27 27 LEU 28 28 ASP 29 29 VAL 30 30 ASN 31 31 SER 32 32 ARG 33 33 GLU 34 34 GLU 35 35 ALA 36 36 SER 37 37 LYS 38 38 LEU 39 39 ILE 40 40 GLY 41 41 ARG 42 42 LEU 43 43 VAL 44 44 LEU 45 45 TRP 46 46 LYS 47 47 SER 48 48 PRO 49 49 SER 50 50 GLY 51 51 LYS 52 52 ILE 53 53 LEU 54 54 LYS 55 55 GLY 56 56 LYS 57 57 ILE 58 58 VAL 59 59 ARG 60 60 VAL 61 61 HIS 62 62 GLY 63 63 THR 64 64 LYS 65 65 GLY 66 66 ALA 67 67 VAL 68 68 ARG 69 69 ALA 70 70 ARG 71 71 PHE 72 72 GLU 73 73 LYS 74 74 GLY 75 75 LEU 76 76 PRO 77 77 GLY 78 78 GLN 79 79 ALA 80 80 LEU 81 81 GLY 82 82 ASP 83 83 TYR 84 84 VAL 85 85 GLU 86 86 ILE 87 87 VAL 88 88 LEU 89 89 GLU 90 90 HIS 91 91 HIS 92 92 HIS 93 93 HIS 94 94 HIS 95 95 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-19 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1SQR "Solution Structure Of The 50s Ribosomal Protein L35ae From Pyrococcus Furiosus. Northeast Structural Genomics Consortium Target" 100.00 95 100.00 100.00 4.48e-60 PDB 2LP6 "Refined Solution Nmr Structure Of The 50s Ribosomal Protein L35ae From Pyrococcus Furiosus, Northeast Structural Genomics Conso" 100.00 95 100.00 100.00 4.48e-60 PDB 3J21 "Promiscuous Behavior Of Proteins In Archaeal Ribosomes Revealed By Cryo-em: Implications For Evolution Of Eukaryotic Ribosomes " 91.58 87 100.00 100.00 1.16e-53 GB AAL81996 "LSU ribosomal protein L35AE [Pyrococcus furiosus DSM 3638]" 91.58 87 100.00 100.00 1.16e-53 GB AFN04768 "50S ribosomal protein L35Ae [Pyrococcus furiosus COM1]" 91.58 87 100.00 100.00 1.16e-53 REF NP_579601 "50S ribosomal protein L35 [Pyrococcus furiosus DSM 3638]" 91.58 87 100.00 100.00 1.16e-53 REF WP_011013011 "50S ribosomal protein L35 [Pyrococcus furiosus]" 91.58 87 100.00 100.00 1.16e-53 REF YP_006493060 "50S ribosomal protein L35 [Pyrococcus furiosus COM1]" 91.58 87 100.00 100.00 1.16e-53 SP P20299 "RecName: Full=50S ribosomal protein L35Ae [Pyrococcus woesei]" 91.58 87 98.85 98.85 7.02e-53 SP Q8TZV6 "RecName: Full=50S ribosomal protein L35Ae [Pyrococcus furiosus DSM 3638]" 91.58 87 100.00 100.00 1.16e-53 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PfR48 'Pyrococcus furiosus' 2261 Archaea . Pyrococcus furiosus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $PfR48 'recombinant technology' 'E. coli' Esherichia coli BL21pMgk pET21 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_PfR48.NC.RX.7.85 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PfR48 1.07 mM [U-15N] NaCl 100 mM . CaCl2 5 mM . stop_ save_ save_sample_PfR48.NC5.LYD.III.3-6.5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PfR48 0.29 mM [U-15N] NaCl 100 mM . CaCl2 5 mM . stop_ save_ save_sample_PfR48.PfR48-21.1-N-GF-6.5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PfR48 0.5 mM [U-15N] NaCl 100 mM . CaCl2 5 mM . stop_ save_ ############################ # Computer software used # ############################ save_VNMR_6.1C _Saveframe_category software _Name VNMR_6.1C _Version . loop_ _Task 'data collection' stop_ _Details . save_ save_NmrPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Task 'data processing' stop_ _Details . save_ save_Sparky _Saveframe_category software _Name SPARKY _Version . loop_ _Task 'spectral visualization' stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version . _Details . save_ save_AutoStructure _Saveframe_category software _Name AutoStruct _Version . loop_ _Task 'automated structural determination' stop_ _Details . save_ save_SPINS _Saveframe_category software _Name SPINS _Version . loop_ _Task 'integrated spectral analysis software' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer varian _Model Baker _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer varian _Model 'UNITY Inova' _Field_strength 500 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer varian _Model INOVA _Field_strength 800 _Details . save_ save_NMR_spectrometer_5 _Saveframe_category NMR_spectrometer _Manufacturer varian _Model 'UNITY Inova' _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_PfR48.NC.RX.7.85 save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_PfR48.NC.RX.7.85 save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_PfR48.NC.RX.7.85 save_ save_NH_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name NH_HSQC _Sample_label $sample_PfR48.NC.RX.7.85 save_ save_NH_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name NH_HSQC _Sample_label $sample_PfR48.NC.RX.7.85 save_ save_HNcoCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNcoCA _Sample_label $sample_PfR48.NC.RX.7.85 save_ save_HNcoCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNcoCACB _Sample_label $sample_PfR48.NC.RX.7.85 save_ save_HAcacoNH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HAcacoNH _Sample_label $sample_PfR48.NC.RX.7.85 save_ save_HAcaNH_9 _Saveframe_category NMR_applied_experiment _Experiment_name HAcaNH _Sample_label $sample_PfR48.NC.RX.7.85 save_ save_HNCACB_(tau_c)_10 _Saveframe_category NMR_applied_experiment _Experiment_name 'HNCACB (tau c)' _Sample_label $sample_PfR48.NC.RX.7.85 save_ save_HNHA_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label $sample_PfR48.NC.RX.7.85 save_ save_CCONH_12 _Saveframe_category NMR_applied_experiment _Experiment_name CCONH _Sample_label $sample_PfR48.NC.RX.7.85 save_ save_HCCH-COSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label $sample_PfR48.NC.RX.7.85 save_ save_HCCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_PfR48.NC.RX.7.85 save_ save_hetNOE_(t0)_15 _Saveframe_category NMR_applied_experiment _Experiment_name 'hetNOE (t0)' _Sample_label $sample_PfR48.NC.RX.7.85 save_ save_hetNOE_(t3)_16 _Saveframe_category NMR_applied_experiment _Experiment_name 'hetNOE (t3)' _Sample_label $sample_PfR48.NC.RX.7.85 save_ save_CH_HSQC_(aliph)_17 _Saveframe_category NMR_applied_experiment _Experiment_name 'CH_HSQC (aliph)' _Sample_label $sample_PfR48.NC.RX.7.85 save_ save_CH_HSQC_(aliph)_18 _Saveframe_category NMR_applied_experiment _Experiment_name 'CH_HSQC (aliph)' _Sample_label $sample_PfR48.NC.RX.7.85 save_ save_hbCBcgcdceHE_19 _Saveframe_category NMR_applied_experiment _Experiment_name hbCBcgcdceHE _Sample_label $sample_PfR48.NC.RX.7.85 save_ save_HBCBcgcdHD_20 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBcgcdHD _Sample_label $sample_PfR48.NC.RX.7.85 save_ save_MUSIC_gly_CA_21 _Saveframe_category NMR_applied_experiment _Experiment_name MUSIC_gly_CA _Sample_label $sample_PfR48.NC.RX.7.85 save_ save_MUSIC_gly_CO_22 _Saveframe_category NMR_applied_experiment _Experiment_name MUSIC_gly_CO _Sample_label $sample_PfR48.NC.RX.7.85 save_ save_CH_HSQC_(arom)_23 _Saveframe_category NMR_applied_experiment _Experiment_name 'CH_HSQC (arom)' _Sample_label $sample_PfR48.NC.RX.7.85 save_ save_15N-edited_NOESY_24 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-edited_NOESY _Sample_label $sample_PfR48.NC.RX.7.85 save_ save_13C_edited_NOESY_(aliph)_25 _Saveframe_category NMR_applied_experiment _Experiment_name '13C_edited_NOESY (aliph)' _Sample_label $sample_PfR48.NC.RX.7.85 save_ save_13C_edited_NOESY_(D2O_aliph)_26 _Saveframe_category NMR_applied_experiment _Experiment_name '13C_edited_NOESY (D2O aliph)' _Sample_label $sample_PfR48.NC.RX.7.85 save_ save_13C_edited_NOESY_(arom)_27 _Saveframe_category NMR_applied_experiment _Experiment_name '13C_edited_NOESY (arom)' _Sample_label $sample_PfR48.NC.RX.7.85 save_ save_HCCcoNH-TOCSY_28 _Saveframe_category NMR_applied_experiment _Experiment_name HCCcoNH-TOCSY _Sample_label $sample_PfR48.NC.RX.7.85 save_ save_4D-C13-NOESY_29 _Saveframe_category NMR_applied_experiment _Experiment_name 4D-C13-NOESY _Sample_label $sample_PfR48.NC.RX.7.85 save_ save_NH_HSQC_(larger_SW1)_30 _Saveframe_category NMR_applied_experiment _Experiment_name 'NH_HSQC (larger SW1)' _Sample_label $sample_PfR48.NC5.LYD.III.3-6.5 save_ save_CH_HSQC_31 _Saveframe_category NMR_applied_experiment _Experiment_name CH_HSQC _Sample_label $sample_PfR48.NC5.LYD.III.3-6.5 save_ save_NH_HSQC_(15_min)_32 _Saveframe_category NMR_applied_experiment _Experiment_name 'NH_HSQC (15 min)' _Sample_label $sample_PfR48.PfR48-21.1-N-GF-6.5 save_ ####################### # Sample conditions # ####################### save_Sample_condition_list_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 6.5 0.5 pH temperature 293 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 external indirect cylindrical external parallel 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.00 internal direct cylindrical external parallel 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 external indirect cylindrical external parallel 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_Assigned_chemical_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details ; It was possible to see (often in different, but well registered, spectra) different chemical shifts for the same atom. While the difference is slight, it is significant in the sense that we would not see, e.g., TRP 45 HE1 at 11.467 but only around 11.479 and more often around 11.453. 7 VAL HG H 0.522 . 1 45 TRP CB C 31.328 . 1 45 TRP HE1 H 11.479 . 1 51 LYS QB H 1.638 . 1 27 LEU HD H 1.011 . 1 39 ILE ? ? 1.097 . 1 ; loop_ _Sample_label $sample_PfR48.NC.RX.7.85 stop_ _Sample_conditions_label $Sample_condition_list_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name PfR48 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ARG HA H 5.159 . 1 2 2 2 ARG HB2 H 1.722 . 1 3 2 2 ARG HB3 H 1.722 . 1 4 2 2 ARG HG2 H 1.519 . 1 5 2 2 ARG HG3 H 1.519 . 1 6 2 2 ARG HD2 H 3.103 . 1 7 2 2 ARG HD3 H 3.103 . 1 8 2 2 ARG C C 175.500 . 1 9 2 2 ARG CA C 55.183 . 1 10 2 2 ARG CB C 32.737 . 1 11 2 2 ARG CG C 27.483 . 1 12 2 2 ARG CD C 43.459 . 1 13 3 3 ILE H H 8.800 . 1 14 3 3 ILE HA H 4.674 . 1 15 3 3 ILE HB H 2.019 . 1 16 3 3 ILE HG12 H 1.442 . 2 17 3 3 ILE HG13 H 1.081 . 2 18 3 3 ILE HG2 H 0.968 . 1 19 3 3 ILE HD1 H 0.863 . 1 20 3 3 ILE C C 175.000 . 1 21 3 3 ILE CA C 60.050 . 1 22 3 3 ILE CB C 41.249 . 1 23 3 3 ILE CG1 C 27.060 . 1 24 3 3 ILE CG2 C 17.693 . 1 25 3 3 ILE CD1 C 13.864 . 1 26 3 3 ILE N N 119.700 . 1 27 4 4 LYS H H 8.864 . 1 28 4 4 LYS HA H 5.180 . 1 29 4 4 LYS HB2 H 1.854 . 2 30 4 4 LYS HB3 H 1.838 . 2 31 4 4 LYS HG2 H 1.598 . 2 32 4 4 LYS HG3 H 1.481 . 2 33 4 4 LYS HD2 H 1.482 . 1 34 4 4 LYS HD3 H 1.482 . 1 35 4 4 LYS HE2 H 2.709 . 1 36 4 4 LYS HE3 H 2.709 . 1 37 4 4 LYS C C 176.800 . 1 38 4 4 LYS CA C 55.798 . 1 39 4 4 LYS CB C 35.471 . 1 40 4 4 LYS CG C 25.553 . 1 41 4 4 LYS CD C 29.320 . 1 42 4 4 LYS CE C 41.812 . 1 43 4 4 LYS N N 123.785 . 1 44 5 5 GLY H H 8.662 . 1 45 5 5 GLY HA2 H 3.122 . 2 46 5 5 GLY HA3 H 5.139 . 2 47 5 5 GLY C C 170.800 . 1 48 5 5 GLY CA C 44.967 . 1 49 5 5 GLY N N 107.023 . 1 50 6 6 VAL H H 8.168 . 1 51 6 6 VAL HA H 4.936 . 1 52 6 6 VAL HB H 1.772 . 1 53 6 6 VAL HG1 H 0.788 . 2 54 6 6 VAL HG2 H 0.788 . 2 55 6 6 VAL C C 175.100 . 1 56 6 6 VAL CA C 60.066 . 1 57 6 6 VAL CB C 35.501 . 1 58 6 6 VAL CG1 C 21.471 . 1 59 6 6 VAL CG2 C 21.471 . 1 60 6 6 VAL N N 118.930 . 1 61 7 7 VAL H H 8.663 . 1 62 7 7 VAL HA H 3.771 . 1 63 7 7 VAL HB H 2.288 . 1 64 7 7 VAL HG1 H 0.523 . 1 65 7 7 VAL HG2 H 0.715 . 1 66 7 7 VAL C C 176.02 . 1 67 7 7 VAL CA C 63.861 . 1 68 7 7 VAL CB C 31.549 . 1 69 7 7 VAL CG1 C 22.263 . 1 70 7 7 VAL CG2 C 22.093 . 1 71 7 7 VAL N N 126.733 . 1 72 8 8 LEU H H 9.077 . 1 73 8 8 LEU HA H 4.396 . 1 74 8 8 LEU HB2 H 1.477 . 1 75 8 8 LEU HB3 H 1.477 . 1 76 8 8 LEU HG H 1.619 . 1 77 8 8 LEU HD1 H 0.766 . 2 78 8 8 LEU HD2 H 0.823 . 2 79 8 8 LEU C C 177.000 . 1 80 8 8 LEU CA C 55.871 . 1 81 8 8 LEU CB C 43.337 . 1 82 8 8 LEU CG C 26.576 . 1 83 8 8 LEU CD1 C 22.402 . 2 84 8 8 LEU CD2 C 25.827 . 2 85 8 8 LEU N N 128.947 . 1 86 9 9 SER H H 7.409 . 1 87 9 9 SER HA H 4.347 . 1 88 9 9 SER HB2 H 3.813 . 2 89 9 9 SER HB3 H 3.688 . 2 90 9 9 SER C C 172.900 . 1 91 9 9 SER CA C 57.866 . 1 92 9 9 SER CB C 64.173 . 1 93 9 9 SER N N 108.469 . 1 94 10 10 TYR H H 8.464 . 1 95 10 10 TYR HA H 5.064 . 1 96 10 10 TYR HB2 H 2.884 . 2 97 10 10 TYR HB3 H 2.719 . 2 98 10 10 TYR C C 175.400 . 1 99 10 10 TYR CA C 57.258 . 1 100 10 10 TYR CB C 40.325 . 1 101 10 10 TYR N N 121.190 . 1 102 11 11 ARG H H 8.545 . 1 103 11 11 ARG HA H 4.441 . 1 104 11 11 ARG HB2 H 1.805 . 2 105 11 11 ARG HB3 H 1.468 . 2 106 11 11 ARG HG2 H 1.484 . 2 107 11 11 ARG HG3 H 1.501 . 2 108 11 11 ARG HD2 H 3.063 . 2 109 11 11 ARG HD3 H 3.110 . 2 110 11 11 ARG C C 174.800 . 1 111 11 11 ARG CA C 55.308 . 1 112 11 11 ARG CB C 31.551 . 1 113 11 11 ARG CG C 27.252 . 1 114 11 11 ARG CD C 43.536 . 1 115 11 11 ARG N N 124.044 . 1 116 12 12 ARG H H 8.562 . 1 117 12 12 ARG HA H 4.577 . 1 118 12 12 ARG HB2 H 1.818 . 2 119 12 12 ARG HB3 H 1.745 . 2 120 12 12 ARG HG2 H 1.597 . 2 121 12 12 ARG HG3 H 1.602 . 2 122 12 12 ARG HD2 H 3.153 . 2 123 12 12 ARG HD3 H 3.151 . 2 124 12 12 ARG C C 176.100 . 1 125 12 12 ARG CA C 55.803 . 1 126 12 12 ARG CB C 31.265 . 1 127 12 12 ARG CG C 27.323 . 1 128 12 12 ARG CD C 43.526 . 1 129 12 12 ARG N N 124.990 . 1 130 13 13 SER H H 8.485 . 1 131 13 13 SER HA H 4.542 . 1 132 13 13 SER HB2 H 4.006 . 2 133 13 13 SER HB3 H 3.862 . 2 134 13 13 SER C C 175.0 . 1 135 13 13 SER CA C 57.790 . 1 136 13 13 SER CB C 64.666 . 1 137 13 13 SER N N 118.058 . 1 138 14 14 LYS H H 8.663 . 1 139 14 14 LYS HA H 4.178 . 1 140 14 14 LYS HB2 H 1.844 . 1 141 14 14 LYS HB3 H 1.844 . 1 142 14 14 LYS HG2 H 1.468 . 1 143 14 14 LYS HG3 H 1.468 . 1 144 14 14 LYS HD2 H 1.698 . 1 145 14 14 LYS HD3 H 1.698 . 1 146 14 14 LYS HE2 H 3.007 . 1 147 14 14 LYS HE3 H 3.007 . 1 148 14 14 LYS C C 177.400 . 1 149 14 14 LYS CA C 57.997 . 1 150 14 14 LYS CB C 32.686 . 1 151 14 14 LYS CG C 24.932 . 1 152 14 14 LYS CD C 29.168 . 1 153 14 14 LYS CE C 42.235 . 1 154 14 14 LYS N N 123.187 . 1 155 15 15 GLU H H 8.525 . 1 156 15 15 GLU HA H 4.217 . 1 157 15 15 GLU HB2 H 2.063 . 2 158 15 15 GLU HB3 H 1.962 . 2 159 15 15 GLU HG2 H 2.274 . 1 160 15 15 GLU HG3 H 2.274 . 1 161 15 15 GLU C C 176.300 . 1 162 15 15 GLU CA C 57.504 . 1 163 15 15 GLU CB C 29.654 . 1 164 15 15 GLU CG C 36.494 . 1 165 15 15 GLU N N 118.364 . 1 166 16 16 ASN H H 7.985 . 1 167 16 16 ASN HA H 4.690 . 1 168 16 16 ASN HB2 H 2.897 . 2 169 16 16 ASN HB3 H 2.737 . 2 170 16 16 ASN HD21 H 7.629 . 1 171 16 16 ASN HD22 H 6.996 . 1 172 16 16 ASN C C 175.100 . 1 173 16 16 ASN CA C 53.363 . 1 174 16 16 ASN CB C 39.022 . 1 175 16 16 ASN N N 117.467 . 1 176 16 16 ASN ND2 N 113 . 1 177 17 17 GLN H H 8.384 . 1 178 17 17 GLN HA H 4.256 . 1 179 17 17 GLN HB2 H 2.189 . 2 180 17 17 GLN HB3 H 1.854 . 2 181 17 17 GLN HG2 H 2.193 . 2 182 17 17 GLN HG3 H 2.011 . 2 183 17 17 GLN HE21 H 7.483 . 1 184 17 17 GLN HE22 H 6.861 . 1 185 17 17 GLN C C 175.800 . 1 186 17 17 GLN CA C 56.678 . 1 187 17 17 GLN CB C 29.071 . 1 188 17 17 GLN CG C 33.739 . 1 189 17 17 GLN N N 119.788 . 1 190 17 17 GLN NE2 N 112.7 . 1 191 18 18 HIS H H 8.209 . 1 192 18 18 HIS HA H 4.683 . 1 193 18 18 HIS HB2 H 3.199 . 2 194 18 18 HIS HB3 H 3.065 . 2 195 18 18 HIS C C 175.08 . 1 196 18 18 HIS CA C 55.839 . 1 197 18 18 HIS CB C 30.460 . 1 198 18 18 HIS N N 117.984 . 1 199 19 19 ASN H H 8.43 . 1 200 19 19 ASN HA H 4.813 . 1 201 19 19 ASN HB2 H 2.731 . 2 202 19 19 ASN HB3 H 2.765 . 2 203 19 19 ASN HD21 H 6.758 . 2 204 19 19 ASN HD22 H 7.406 . 2 205 19 19 ASN C C 174.300 . 1 206 19 19 ASN CA C 53.172 . 1 207 19 19 ASN CB C 38.503 . 1 208 19 19 ASN N N 122.3 . 1 209 19 19 ASN ND2 N 111.8 . 1 210 20 20 ASN H H 8.353 . 1 211 20 20 ASN HA H 4.828 . 1 212 20 20 ASN HB2 H 3.140 . 2 213 20 20 ASN HB3 H 2.532 . 2 214 20 20 ASN HD21 H 6.898 . 2 215 20 20 ASN HD22 H 7.258 . 2 216 20 20 ASN C C 174.000 . 1 217 20 20 ASN CA C 53.292 . 1 218 20 20 ASN CB C 38.896 . 1 219 20 20 ASN N N 117.387 . 1 220 20 20 ASN ND2 N 111.6 . 1 221 21 21 VAL H H 8.285 . 1 222 21 21 VAL HA H 5.090 . 1 223 21 21 VAL HB H 1.961 . 1 224 21 21 VAL HG1 H 0.919 . 2 225 21 21 VAL HG2 H 0.781 . 2 226 21 21 VAL C C 174.900 . 1 227 21 21 VAL CA C 61.409 . 1 228 21 21 VAL CB C 33.979 . 1 229 21 21 VAL CG1 C 21.548 . 2 230 21 21 VAL CG2 C 21.832 . 2 231 21 21 VAL N N 120.718 . 1 232 22 22 MET H H 9.083 . 1 233 22 22 MET HA H 5.073 . 1 234 22 22 MET HB2 H 1.859 . 2 235 22 22 MET HB3 H 1.744 . 2 236 22 22 MET HG2 H 2.088 . 2 237 22 22 MET HG3 H 2.200 . 2 238 22 22 MET C C 174.600 . 1 239 22 22 MET CA C 53.096 . 1 240 22 22 MET CB C 36.612 . 1 241 22 22 MET CG C 32.161 . 1 242 22 22 MET N N 123.693 . 1 243 23 23 ILE H H 8.761 . 1 244 23 23 ILE HA H 4.738 . 1 245 23 23 ILE HB H 1.741 . 1 246 23 23 ILE HG12 H 0.856 . 2 247 23 23 ILE HG13 H 0.747 . 2 248 23 23 ILE HG2 H 0.488 . 1 249 23 23 ILE HD1 H 0.130 . 1 250 23 23 ILE C C 175.500 . 1 251 23 23 ILE CA C 59.230 . 1 252 23 23 ILE CB C 36.022 . 1 253 23 23 ILE CG1 C 27.352 . 1 254 23 23 ILE CG2 C 18.366 . 1 255 23 23 ILE CD1 C 10.658 . 1 256 23 23 ILE N N 123.898 . 1 257 24 24 ILE H H 9.048 . 1 258 24 24 ILE HA H 4.881 . 1 259 24 24 ILE HB H 1.426 . 1 260 24 24 ILE HG12 H 1.321 . 2 261 24 24 ILE HG13 H 0.961 . 2 262 24 24 ILE HG2 H 0.509 . 1 263 24 24 ILE HD1 H 0.749 . 1 264 24 24 ILE C C 174.200 . 1 265 24 24 ILE CA C 58.256 . 1 266 24 24 ILE CB C 42.799 . 1 267 24 24 ILE CG1 C 28.104 . 1 268 24 24 ILE CG2 C 17.523 . 1 269 24 24 ILE CD1 C 15.857 . 1 270 24 24 ILE N N 126.877 . 1 271 25 25 LYS H H 9.205 . 1 272 25 25 LYS HA H 5.109 . 1 273 25 25 LYS HB2 H 2.139 . 2 274 25 25 LYS HB3 H 1.675 . 2 275 25 25 LYS HG2 H 1.480 . 1 276 25 25 LYS HG3 H 1.480 . 1 277 25 25 LYS CA C 50.908 . 1 278 25 25 LYS CB C 34.893 . 1 279 25 25 LYS N N 127.192 . 1 280 26 26 PRO HA H 4.823 . 1 281 26 26 PRO HB2 H 2.052 . 2 282 26 26 PRO HB3 H 1.893 . 2 283 26 26 PRO HG2 H 2.014 . 2 284 26 26 PRO HG3 H 1.457 . 2 285 26 26 PRO HD2 H 4.358 . 2 286 26 26 PRO HD3 H 3.921 . 2 287 26 26 PRO C C 177.300 . 1 288 26 26 PRO CA C 61.185 . 1 289 26 26 PRO CB C 30.625 . 1 290 26 26 PRO CG C 28.273 . 1 291 26 26 PRO CD C 53.005 . 1 292 27 27 LEU H H 8.861 . 1 293 27 27 LEU HA H 4.101 . 1 294 27 27 LEU HB2 H 1.787 . 2 295 27 27 LEU HB3 H 1.608 . 2 296 27 27 LEU HG H 1.702 . 1 297 27 27 LEU HD1 H 1.018 . 1 298 27 27 LEU HD2 H 1.007 . 1 299 27 27 LEU C C 177.800 . 1 300 27 27 LEU CA C 57.590 . 1 301 27 27 LEU CB C 40.721 . 1 302 27 27 LEU CG C 28.181 . 1 303 27 27 LEU CD1 C 25.389 . 1 304 27 27 LEU CD2 C 23.200 . 1 305 27 27 LEU N N 127.814 . 1 306 28 28 ASP H H 8.818 . 1 307 28 28 ASP HA H 4.477 . 1 308 28 28 ASP HB2 H 2.966 . 2 309 28 28 ASP HB3 H 2.698 . 2 310 28 28 ASP C C 174.500 . 1 311 28 28 ASP CA C 55.417 . 1 312 28 28 ASP CB C 40.527 . 1 313 28 28 ASP N N 114.920 . 1 314 29 29 VAL H H 7.004 . 1 315 29 29 VAL HA H 4.164 . 1 316 29 29 VAL HB H 1.955 . 1 317 29 29 VAL HG1 H 0.976 . 1 318 29 29 VAL HG2 H 0.865 . 1 319 29 29 VAL C C 175.600 . 1 320 29 29 VAL CA C 62.553 . 1 321 29 29 VAL CB C 32.711 . 1 322 29 29 VAL CG1 C 21.915 . 1 323 29 29 VAL CG2 C 21.015 . 1 324 29 29 VAL N N 119.689 . 1 325 30 30 ASN H H 8.802 . 1 326 30 30 ASN HA H 5.409 . 1 327 30 30 ASN HB2 H 3.110 . 2 328 30 30 ASN HB3 H 2.619 . 2 329 30 30 ASN HD21 H 7.879 . 2 330 30 30 ASN HD22 H 7.275 . 2 331 30 30 ASN C C 173.400 . 1 332 30 30 ASN CA C 53.262 . 1 333 30 30 ASN CB C 41.186 . 1 334 30 30 ASN N N 122.479 . 1 335 30 30 ASN ND2 N 117.3 . 1 336 31 31 SER H H 7.329 . 1 337 31 31 SER HA H 4.878 . 1 338 31 31 SER HB2 H 4.352 . 2 339 31 31 SER HB3 H 3.943 . 2 340 31 31 SER C C 173.700 . 1 341 31 31 SER CA C 56.428 . 1 342 31 31 SER CB C 67.086 . 1 343 31 31 SER N N 109.583 . 1 344 32 32 ARG H H 8.688 . 1 345 32 32 ARG HA H 4.229 . 1 346 32 32 ARG HB2 H 1.924 . 2 347 32 32 ARG HB3 H 1.838 . 2 348 32 32 ARG HG2 H 1.707 . 1 349 32 32 ARG HG3 H 1.707 . 1 350 32 32 ARG HD2 H 3.171 . 1 351 32 32 ARG HD3 H 3.171 . 1 352 32 32 ARG C C 178.300 . 1 353 32 32 ARG CA C 58.914 . 1 354 32 32 ARG CB C 30.785 . 1 355 32 32 ARG CG C 27.285 . 1 356 32 32 ARG CD C 43.666 . 1 357 32 32 ARG N N 123.538 . 1 358 33 33 GLU H H 9.157 . 1 359 33 33 GLU HA H 4.012 . 1 360 33 33 GLU HB2 H 2.143 . 2 361 33 33 GLU HB3 H 1.955 . 2 362 33 33 GLU HG2 H 2.459 . 2 363 33 33 GLU HG3 H 2.276 . 2 364 33 33 GLU C C 179.900 . 1 365 33 33 GLU CA C 60.615 . 1 366 33 33 GLU CB C 28.895 . 1 367 33 33 GLU CG C 37.062 . 1 368 33 33 GLU N N 120.517 . 1 369 34 34 GLU H H 7.623 . 1 370 34 34 GLU HA H 4.096 . 1 371 34 34 GLU HB2 H 2.167 . 2 372 34 34 GLU HB3 H 2.000 . 2 373 34 34 GLU HG2 H 2.409 . 2 374 34 34 GLU HG3 H 2.292 . 2 375 34 34 GLU C C 179.100 . 1 376 34 34 GLU CA C 58.647 . 1 377 34 34 GLU CB C 30.874 . 1 378 34 34 GLU CG C 36.832 . 1 379 34 34 GLU N N 118.275 . 1 380 35 35 ALA H H 8.131 . 1 381 35 35 ALA HA H 3.828 . 1 382 35 35 ALA HB H 1.367 . 1 383 35 35 ALA C C 179.800 . 1 384 35 35 ALA CA C 55.337 . 1 385 35 35 ALA CB C 18.361 . 1 386 35 35 ALA N N 123.551 . 1 387 36 36 SER H H 8.279 . 1 388 36 36 SER HA H 3.875 . 1 389 36 36 SER HB2 H 4.003 . 1 390 36 36 SER HB3 H 4.003 . 1 391 36 36 SER C C 176.100 . 1 392 36 36 SER CA C 61.573 . 1 393 36 36 SER CB C 63.126 . 1 394 36 36 SER N N 112.905 . 1 395 37 37 LYS H H 7.120 . 1 396 37 37 LYS HA H 4.203 . 1 397 37 37 LYS HB2 H 2.016 . 2 398 37 37 LYS HB3 H 1.854 . 2 399 37 37 LYS HG2 H 1.490 . 2 400 37 37 LYS HG3 H 1.619 . 2 401 37 37 LYS HD2 H 1.715 . 1 402 37 37 LYS HD3 H 1.715 . 1 403 37 37 LYS HE2 H 2.953 . 1 404 37 37 LYS HE3 H 2.953 . 1 405 37 37 LYS C C 177.100 . 1 406 37 37 LYS CA C 57.553 . 1 407 37 37 LYS CB C 32.178 . 1 408 37 37 LYS CG C 25.462 . 1 409 37 37 LYS CD C 29.467 . 1 410 37 37 LYS CE C 42.490 . 1 411 37 37 LYS N N 119.081 . 1 412 38 38 LEU H H 7.877 . 1 413 38 38 LEU HA H 4.138 . 1 414 38 38 LEU HB2 H 1.576 . 2 415 38 38 LEU HB3 H 2.010 . 2 416 38 38 LEU HG H 1.767 . 1 417 38 38 LEU HD1 H 0.911 . 1 418 38 38 LEU HD2 H 0.735 . 1 419 38 38 LEU C C 176.400 . 1 420 38 38 LEU CA C 54.225 . 1 421 38 38 LEU CB C 42.192 . 1 422 38 38 LEU CG C 27.130 . 1 423 38 38 LEU CD1 C 26.604 . 1 424 38 38 LEU CD2 C 23.005 . 1 425 38 38 LEU N N 115.729 . 1 426 39 39 ILE H H 6.958 . 1 427 39 39 ILE HA H 3.252 . 1 428 39 39 ILE HB H 1.873 . 1 429 39 39 ILE HG12 H 1.104 . 2 430 39 39 ILE HG13 H 1.608 . 2 431 39 39 ILE HG2 H 0.890 . 1 432 39 39 ILE HD1 H 0.894 . 1 433 39 39 ILE C C 177.100 . 1 434 39 39 ILE CA C 63.952 . 1 435 39 39 ILE CB C 36.338 . 1 436 39 39 ILE CG1 C 28.716 . 1 437 39 39 ILE CG2 C 17.681 . 1 438 39 39 ILE CD1 C 12.396 . 1 439 39 39 ILE N N 118.446 . 1 440 40 40 GLY H H 8.877 . 1 441 40 40 GLY HA2 H 4.518 . 2 442 40 40 GLY HA3 H 3.611 . 2 443 40 40 GLY C C 174.600 . 1 444 40 40 GLY CA C 44.763 . 1 445 40 40 GLY N N 115.966 . 1 446 41 41 ARG H H 7.939 . 1 447 41 41 ARG HA H 4.481 . 1 448 41 41 ARG HB2 H 2.118 . 2 449 41 41 ARG HB3 H 1.888 . 2 450 41 41 ARG HG2 H 1.661 . 2 451 41 41 ARG HG3 H 1.710 . 2 452 41 41 ARG HD2 H 3.004 . 1 453 41 41 ARG HD3 H 3.004 . 1 454 41 41 ARG C C 175.000 . 1 455 41 41 ARG CA C 56.298 . 1 456 41 41 ARG CB C 30.619 . 1 457 41 41 ARG CG C 28.122 . 1 458 41 41 ARG CD C 43.544 . 1 459 41 41 ARG N N 118.629 . 1 460 42 42 LEU H H 8.400 . 1 461 42 42 LEU HA H 4.773 . 1 462 42 42 LEU HB2 H 1.667 . 2 463 42 42 LEU HB3 H 1.607 . 2 464 42 42 LEU HG H 1.613 . 1 465 42 42 LEU HD1 H 1.009 . 1 466 42 42 LEU HD2 H 0.885 . 1 467 42 42 LEU C C 175.200 . 1 468 42 42 LEU CA C 54.561 . 1 469 42 42 LEU CB C 44.111 . 1 470 42 42 LEU CG C 27.718 . 1 471 42 42 LEU CD1 C 24.758 . 1 472 42 42 LEU CD2 C 24.966 . 1 473 42 42 LEU N N 121.347 . 1 474 43 43 VAL H H 8.189 . 1 475 43 43 VAL HA H 5.045 . 1 476 43 43 VAL HB H 1.398 . 1 477 43 43 VAL HG1 H 0.774 . 1 478 43 43 VAL HG2 H 0.712 . 1 479 43 43 VAL C C 173.800 . 1 480 43 43 VAL CA C 59.401 . 1 481 43 43 VAL CB C 34.438 . 1 482 43 43 VAL CG1 C 22.117 . 1 483 43 43 VAL CG2 C 22.452 . 1 484 43 43 VAL N N 120.875 . 1 485 44 44 LEU H H 9.320 . 1 486 44 44 LEU HA H 5.371 . 1 487 44 44 LEU HB2 H 1.337 . 2 488 44 44 LEU HB3 H 1.856 . 2 489 44 44 LEU HG H 1.575 . 1 490 44 44 LEU HD1 H 0.861 . 2 491 44 44 LEU HD2 H 0.861 . 2 492 44 44 LEU C C 176.600 . 1 493 44 44 LEU CA C 53.600 . 1 494 44 44 LEU CB C 44.381 . 1 495 44 44 LEU CG C 27.335 . 1 496 44 44 LEU CD1 C 23.820 . 1 497 44 44 LEU CD2 C 23.820 . 1 498 44 44 LEU N N 124.820 . 1 499 45 45 TRP H H 9.251 . 1 500 45 45 TRP HA H 5.023 . 1 501 45 45 TRP HB2 H 2.792 . 2 502 45 45 TRP HB3 H 3.179 . 2 503 45 45 TRP C C 173.100 . 1 504 45 45 TRP CA C 57.182 . 1 505 45 45 TRP CB C 31.353 . 1 506 45 45 TRP N N 125.368 . 1 507 46 46 LYS H H 8.064 . 1 508 46 46 LYS HA H 4.314 . 1 509 46 46 LYS HB2 H 1.521 . 2 510 46 46 LYS HB3 H 1.313 . 2 511 46 46 LYS HG2 H 1.190 . 2 512 46 46 LYS HG3 H 1.009 . 2 513 46 46 LYS HD2 H 1.553 . 1 514 46 46 LYS HD3 H 1.553 . 1 515 46 46 LYS HE2 H 2.864 . 1 516 46 46 LYS HE3 H 2.864 . 1 517 46 46 LYS C C 173.800 . 1 518 46 46 LYS CA C 55.132 . 1 519 46 46 LYS CB C 32.714 . 1 520 46 46 LYS CG C 24.384 . 1 521 46 46 LYS CD C 29.434 . 1 522 46 46 LYS N N 129.540 . 1 523 47 47 SER H H 8.208 . 1 524 47 47 SER HA H 3.245 . 1 525 47 47 SER HB2 H 4.106 . 2 526 47 47 SER HB3 H 3.493 . 2 527 47 47 SER CA C 56.564 . 1 528 47 47 SER CB C 63.584 . 1 529 47 47 SER N N 124.549 . 1 530 48 48 PRO HA H 4.286 . 1 531 48 48 PRO HB2 H 2.439 . 2 532 48 48 PRO HB3 H 1.952 . 2 533 48 48 PRO HG2 H 2.184 . 2 534 48 48 PRO HG3 H 2.114 . 2 535 48 48 PRO HD2 H 3.854 . 1 536 48 48 PRO HD3 H 3.854 . 1 537 48 48 PRO C C 177.5 . 1 538 48 48 PRO CA C 65.461 . 1 539 48 48 PRO CB C 31.723 . 1 540 48 48 PRO CG C 27.826 . 1 541 48 48 PRO CD C 50.999 . 1 542 49 49 SER H H 7.754 . 1 543 49 49 SER HA H 4.414 . 1 544 49 49 SER HB2 H 4.041 . 2 545 49 49 SER HB3 H 3.889 . 2 546 49 49 SER C C 175.200 . 1 547 49 49 SER CA C 58.552 . 1 548 49 49 SER CB C 63.820 . 1 549 49 49 SER N N 109.7 . 1 550 50 50 GLY H H 8.194 . 1 551 50 50 GLY HA2 H 3.314 . 2 552 50 50 GLY HA3 H 4.354 . 2 553 50 50 GLY C C 173.700 . 1 554 50 50 GLY CA C 45.031 . 1 555 50 50 GLY N N 111.568 . 1 556 51 51 LYS H H 7.246 . 1 557 51 51 LYS HA H 4.246 . 1 558 51 51 LYS HB2 H 1.660 . 2 559 51 51 LYS HB3 H 1.603 . 2 560 51 51 LYS HG2 H 1.410 . 2 561 51 51 LYS HG3 H 1.316 . 2 562 51 51 LYS HD2 H 1.668 . 1 563 51 51 LYS HD3 H 1.668 . 1 564 51 51 LYS HE2 H 2.998 . 1 565 51 51 LYS HE3 H 2.998 . 1 566 51 51 LYS C C 175.900 . 1 567 51 51 LYS CA C 55.948 . 1 568 51 51 LYS CB C 32.893 . 1 569 51 51 LYS CG C 24.974 . 1 570 51 51 LYS CD C 28.918 . 1 571 51 51 LYS CE C 42.342 . 1 572 51 51 LYS N N 120.424 . 1 573 52 52 ILE H H 8.718 . 1 574 52 52 ILE HA H 4.670 . 1 575 52 52 ILE HB H 1.870 . 1 576 52 52 ILE HG12 H 1.603 . 2 577 52 52 ILE HG13 H 1.082 . 2 578 52 52 ILE HG2 H 0.839 . 1 579 52 52 ILE HD1 H 0.805 . 1 580 52 52 ILE C C 176.100 . 1 581 52 52 ILE CA C 60.261 . 1 582 52 52 ILE CB C 38.268 . 1 583 52 52 ILE CG1 C 27.734 . 1 584 52 52 ILE CG2 C 18.843 . 1 585 52 52 ILE CD1 C 12.186 . 1 586 52 52 ILE N N 125.588 . 1 587 53 53 LEU H H 9.558 . 1 588 53 53 LEU HA H 4.930 . 1 589 53 53 LEU HB2 H 2.187 . 2 590 53 53 LEU HB3 H 1.956 . 2 591 53 53 LEU HG H 1.958 . 1 592 53 53 LEU HD1 H 1.126 . 1 593 53 53 LEU HD2 H 1.043 . 1 594 53 53 LEU C C 175.800 . 1 595 53 53 LEU CA C 54.305 . 1 596 53 53 LEU CB C 44.080 . 1 597 53 53 LEU CG C 28.891 . 1 598 53 53 LEU CD1 C 25.195 . 1 599 53 53 LEU CD2 C 24.358 . 1 600 53 53 LEU N N 131.583 . 1 601 54 54 LYS H H 8.746 . 1 602 54 54 LYS HA H 5.463 . 1 603 54 54 LYS HB2 H 1.829 . 2 604 54 54 LYS HB3 H 1.722 . 2 605 54 54 LYS HG2 H 1.341 . 2 606 54 54 LYS HG3 H 1.516 . 2 607 54 54 LYS HD2 H 1.711 . 1 608 54 54 LYS HD3 H 1.711 . 1 609 54 54 LYS HE2 H 2.925 . 2 610 54 54 LYS HE3 H 2.969 . 2 611 54 54 LYS C C 176.200 . 1 612 54 54 LYS CA C 55.474 . 1 613 54 54 LYS CB C 35.349 . 1 614 54 54 LYS CG C 25.190 . 1 615 54 54 LYS CD C 29.741 . 1 616 54 54 LYS CE C 41.942 . 1 617 54 54 LYS N N 120.463 . 1 618 55 55 GLY H H 9.217 . 1 619 55 55 GLY HA2 H 4.347 . 2 620 55 55 GLY HA3 H 1.960 . 2 621 55 55 GLY C C 172.400 . 1 622 55 55 GLY CA C 43.890 . 1 623 55 55 GLY N N 114.284 . 1 624 56 56 LYS H H 8.015 . 1 625 56 56 LYS HA H 5.145 . 1 626 56 56 LYS HB2 H 1.559 . 1 627 56 56 LYS HB3 H 1.559 . 1 628 56 56 LYS HG2 H 1.217 . 1 629 56 56 LYS HG3 H 1.217 . 1 630 56 56 LYS HD2 H 1.630 . 1 631 56 56 LYS HD3 H 1.630 . 1 632 56 56 LYS HE2 H 2.920 . 1 633 56 56 LYS HE3 H 2.920 . 1 634 56 56 LYS C C 176.000 . 1 635 56 56 LYS CA C 54.614 . 1 636 56 56 LYS CB C 36.639 . 1 637 56 56 LYS CG C 24.623 . 1 638 56 56 LYS CD C 29.412 . 1 639 56 56 LYS CE C 41.559 . 1 640 56 56 LYS N N 118.868 . 1 641 57 57 ILE H H 8.693 . 1 642 57 57 ILE HA H 4.149 . 1 643 57 57 ILE HB H 2.176 . 1 644 57 57 ILE HG12 H 1.653 . 1 645 57 57 ILE HG13 H 1.653 . 1 646 57 57 ILE HG2 H 0.768 . 1 647 57 57 ILE HD1 H 0.788 . 1 648 57 57 ILE C C 177.200 . 1 649 57 57 ILE CA C 62.915 . 1 650 57 57 ILE CB C 36.286 . 1 651 57 57 ILE CG1 C 28.942 . 1 652 57 57 ILE CG2 C 18.136 . 1 653 57 57 ILE CD1 C 14.463 . 1 654 57 57 ILE N N 124.413 . 1 655 58 58 VAL H H 8.931 . 1 656 58 58 VAL HA H 4.652 . 1 657 58 58 VAL HB H 2.298 . 1 658 58 58 VAL HG1 H 0.976 . 1 659 58 58 VAL HG2 H 0.880 . 1 660 58 58 VAL C C 175.500 . 1 661 58 58 VAL CA C 62.104 . 1 662 58 58 VAL CB C 34.118 . 1 663 58 58 VAL CG1 C 22.114 . 1 664 58 58 VAL CG2 C 18.766 . 1 665 58 58 VAL N N 122.666 . 1 666 59 59 ARG H H 7.628 . 1 667 59 59 ARG HA H 4.667 . 1 668 59 59 ARG HB2 H 1.995 . 2 669 59 59 ARG HB3 H 1.869 . 2 670 59 59 ARG HG2 H 1.696 . 2 671 59 59 ARG HG3 H 1.882 . 2 672 59 59 ARG HD2 H 3.264 . 1 673 59 59 ARG HD3 H 3.264 . 1 674 59 59 ARG C C 175.000 . 1 675 59 59 ARG CA C 55.579 . 1 676 59 59 ARG CB C 34.890 . 1 677 59 59 ARG CG C 27.092 . 1 678 59 59 ARG CD C 43.755 . 1 679 59 59 ARG N N 117.696 . 1 680 60 60 VAL H H 8.647 . 1 681 60 60 VAL HA H 4.405 . 1 682 60 60 VAL HB H 2.284 . 1 683 60 60 VAL HG1 H 1.017 . 1 684 60 60 VAL HG2 H 0.942 . 1 685 60 60 VAL C C 173.700 . 1 686 60 60 VAL CA C 63.124 . 1 687 60 60 VAL CB C 32.087 . 1 688 60 60 VAL CG1 C 22.524 . 1 689 60 60 VAL CG2 C 19.324 . 1 690 60 60 VAL N N 117.604 . 1 691 61 61 HIS H H 8.397 . 1 692 61 61 HIS HA H 4.796 . 1 693 61 61 HIS HB2 H 2.723 . 2 694 61 61 HIS HB3 H 2.401 . 2 695 61 61 HIS C C 174.200 . 1 696 61 61 HIS CA C 55.883 . 1 697 61 61 HIS CB C 33.995 . 1 698 61 61 HIS N N 124.046 . 1 699 62 62 GLY H H 8.619 . 1 700 62 62 GLY HA2 H 4.014 . 2 701 62 62 GLY HA3 H 3.771 . 2 702 62 62 GLY C C 176.300 . 1 703 62 62 GLY CA C 45.006 . 1 704 62 62 GLY N N 114.965 . 1 705 63 63 THR H H 8.945 . 1 706 63 63 THR HA H 4.533 . 1 707 63 63 THR HB H 4.648 . 1 708 63 63 THR HG2 H 1.133 . 1 709 63 63 THR C C 175.200 . 1 710 63 63 THR CA C 61.793 . 1 711 63 63 THR CB C 69.548 . 1 712 63 63 THR CG2 C 21.741 . 1 713 63 63 THR N N 111.112 . 1 714 64 64 LYS H H 9.133 . 1 715 64 64 LYS HA H 4.588 . 1 716 64 64 LYS HB2 H 2.171 . 2 717 64 64 LYS HB3 H 1.669 . 2 718 64 64 LYS HG2 H 1.532 . 2 719 64 64 LYS HG3 H 1.390 . 2 720 64 64 LYS HD2 H 1.709 . 1 721 64 64 LYS HD3 H 1.709 . 1 722 64 64 LYS C C 175.500 . 1 723 64 64 LYS CA C 55.231 . 1 724 64 64 LYS CB C 32.452 . 1 725 64 64 LYS CG C 24.768 . 1 726 64 64 LYS CD C 28.732 . 1 727 64 64 LYS N N 122.500 . 1 728 65 65 GLY H H 7.987 . 1 729 65 65 GLY HA2 H 4.500 . 2 730 65 65 GLY HA3 H 3.135 . 2 731 65 65 GLY C C 171.300 . 1 732 65 65 GLY CA C 44.920 . 1 733 65 65 GLY N N 106.884 . 1 734 66 66 ALA H H 7.671 . 1 735 66 66 ALA HA H 4.911 . 1 736 66 66 ALA HB H 1.522 . 1 737 66 66 ALA C C 177.400 . 1 738 66 66 ALA CA C 52.232 . 1 739 66 66 ALA CB C 18.719 . 1 740 66 66 ALA N N 115.951 . 1 741 67 67 VAL H H 8.951 . 1 742 67 67 VAL HA H 4.875 . 1 743 67 67 VAL HB H 2.262 . 1 744 67 67 VAL HG1 H 0.966 . 1 745 67 67 VAL HG2 H 0.697 . 1 746 67 67 VAL C C 173.400 . 1 747 67 67 VAL CA C 59.368 . 1 748 67 67 VAL CB C 36.262 . 1 749 67 67 VAL CG1 C 23.209 . 1 750 67 67 VAL CG2 C 17.953 . 1 751 67 67 VAL N N 108.601 . 1 752 68 68 ARG H H 9.043 . 1 753 68 68 ARG HA H 5.179 . 1 754 68 68 ARG HB2 H 1.530 . 2 755 68 68 ARG HB3 H 1.624 . 2 756 68 68 ARG HG2 H 1.312 . 2 757 68 68 ARG HG3 H 1.528 . 2 758 68 68 ARG HD2 H 3.039 . 2 759 68 68 ARG HD3 H 3.018 . 2 760 68 68 ARG C C 175.000 . 1 761 68 68 ARG CA C 54.632 . 1 762 68 68 ARG CB C 32.597 . 1 763 68 68 ARG CG C 28.466 . 1 764 68 68 ARG CD C 44.516 . 1 765 68 68 ARG N N 118.441 . 1 766 69 69 ALA H H 9.561 . 1 767 69 69 ALA HA H 5.409 . 1 768 69 69 ALA HB H 1.054 . 1 769 69 69 ALA C C 174.400 . 1 770 69 69 ALA CA C 49.830 . 1 771 69 69 ALA CB C 23.932 . 1 772 69 69 ALA N N 126.495 . 1 773 70 70 ARG H H 8.692 . 1 774 70 70 ARG HA H 5.169 . 1 775 70 70 ARG HB2 H 1.722 . 2 776 70 70 ARG HB3 H 1.685 . 2 777 70 70 ARG HG2 H 1.493 . 2 778 70 70 ARG HG3 H 1.621 . 2 779 70 70 ARG HD2 H 3.203 . 1 780 70 70 ARG HD3 H 3.203 . 1 781 70 70 ARG C C 175.700 . 1 782 70 70 ARG CA C 55.090 . 1 783 70 70 ARG CB C 33.544 . 1 784 70 70 ARG CG C 27.813 . 1 785 70 70 ARG CD C 43.602 . 1 786 70 70 ARG N N 122.321 . 1 787 71 71 PHE H H 9.442 . 1 788 71 71 PHE HA H 4.859 . 1 789 71 71 PHE HB2 H 3.259 . 2 790 71 71 PHE HB3 H 2.973 . 2 791 71 71 PHE C C 175.700 . 1 792 71 71 PHE CA C 57.465 . 1 793 71 71 PHE CB C 41.819 . 1 794 71 71 PHE N N 128.794 . 1 795 72 72 GLU H H 8.968 . 1 796 72 72 GLU HA H 4.242 . 1 797 72 72 GLU HB2 H 2.208 . 1 798 72 72 GLU HB3 H 2.208 . 1 799 72 72 GLU HG2 H 2.441 . 1 800 72 72 GLU HG3 H 2.441 . 1 801 72 72 GLU C C 176.500 . 1 802 72 72 GLU CA C 58.604 . 1 803 72 72 GLU CB C 30.263 . 1 804 72 72 GLU CG C 36.515 . 1 805 72 72 GLU N N 121.197 . 1 806 73 73 LYS H H 8.123 . 1 807 73 73 LYS HA H 4.514 . 1 808 73 73 LYS HB2 H 1.996 . 2 809 73 73 LYS HB3 H 1.836 . 2 810 73 73 LYS HG2 H 1.503 . 2 811 73 73 LYS HG3 H 1.522 . 2 812 73 73 LYS HD2 H 1.773 . 2 813 73 73 LYS HD3 H 1.703 . 2 814 73 73 LYS HE2 H 3.061 . 1 815 73 73 LYS HE3 H 3.061 . 1 816 73 73 LYS C C 175.300 . 1 817 73 73 LYS CA C 54.839 . 1 818 73 73 LYS CB C 34.555 . 1 819 73 73 LYS CG C 24.907 . 1 820 73 73 LYS CD C 29.197 . 1 821 73 73 LYS CE C 42.365 . 1 822 73 73 LYS N N 117.266 . 1 823 74 74 GLY H H 8.138 . 1 824 74 74 GLY HA2 H 3.733 . 2 825 74 74 GLY HA3 H 3.734 . 2 826 74 74 GLY C C 173.300 . 1 827 74 74 GLY CA C 45.289 . 1 828 74 74 GLY N N 105.973 . 1 829 75 75 LEU H H 7.924 . 1 830 75 75 LEU HA H 4.337 . 1 831 75 75 LEU HB2 H 1.091 . 2 832 75 75 LEU HB3 H 0.765 . 2 833 75 75 LEU HG H 0.967 . 1 834 75 75 LEU HD1 H -0.115 . 1 835 75 75 LEU HD2 H 0.045 . 1 836 75 75 LEU CA C 52.387 . 1 837 75 75 LEU CB C 41.391 . 1 838 75 75 LEU CG C 27.154 . 1 839 75 75 LEU CD1 C 24.465 . 1 840 75 75 LEU CD2 C 23.345 . 1 841 75 75 LEU N N 122.540 . 1 842 76 76 PRO HA H 4.527 . 1 843 76 76 PRO HB2 H 2.120 . 1 844 76 76 PRO HB3 H 2.120 . 1 845 76 76 PRO HG2 H 2.178 . 2 846 76 76 PRO HG3 H 1.911 . 2 847 76 76 PRO HD2 H 3.727 . 2 848 76 76 PRO HD3 H 3.233 . 2 849 76 76 PRO C C 176.700 . 1 850 76 76 PRO CA C 62.467 . 1 851 76 76 PRO CB C 32.055 . 1 852 76 76 PRO CG C 27.436 . 1 853 76 76 PRO CD C 50.222 . 1 854 77 77 GLY H H 8.346 . 1 855 77 77 GLY HA2 H 3.912 . 2 856 77 77 GLY HA3 H 3.836 . 2 857 77 77 GLY C C 174.900 . 1 858 77 77 GLY CA C 46.447 . 1 859 77 77 GLY N N 107.966 . 1 860 78 78 GLN H H 8.226 . 1 861 78 78 GLN HA H 4.244 . 1 862 78 78 GLN HB2 H 2.130 . 2 863 78 78 GLN HB3 H 2.062 . 2 864 78 78 GLN HG2 H 2.401 . 1 865 78 78 GLN HG3 H 2.401 . 1 866 78 78 GLN HE21 H 7.598 . 1 867 78 78 GLN HE22 H 6.917 . 1 868 78 78 GLN C C 175.500 . 1 869 78 78 GLN CA C 57.091 . 1 870 78 78 GLN CB C 28.933 . 1 871 78 78 GLN CG C 34.254 . 1 872 78 78 GLN N N 118.286 . 1 873 78 78 GLN NE2 N 112.2 . 1 874 79 79 ALA H H 7.890 . 1 875 79 79 ALA HA H 4.211 . 1 876 79 79 ALA HB H 0.491 . 1 877 79 79 ALA C C 177.100 . 1 878 79 79 ALA CA C 52.573 . 1 879 79 79 ALA CB C 19.067 . 1 880 79 79 ALA N N 122.012 . 1 881 80 80 LEU H H 7.340 . 1 882 80 80 LEU HA H 3.548 . 1 883 80 80 LEU HB2 H 1.675 . 2 884 80 80 LEU HB3 H 1.366 . 2 885 80 80 LEU HG H 1.519 . 1 886 80 80 LEU HD1 H 0.864 . 1 887 80 80 LEU HD2 H 0.552 . 1 888 80 80 LEU C C 178.200 . 1 889 80 80 LEU CA C 57.059 . 1 890 80 80 LEU CB C 41.010 . 1 891 80 80 LEU CG C 26.949 . 1 892 80 80 LEU CD1 C 25.050 . 1 893 80 80 LEU CD2 C 23.702 . 1 894 80 80 LEU N N 117.413 . 1 895 81 81 GLY H H 8.704 . 1 896 81 81 GLY HA2 H 3.477 . 2 897 81 81 GLY HA3 H 4.176 . 2 898 81 81 GLY C C 173.200 . 1 899 81 81 GLY CA C 45.500 . 1 900 81 81 GLY N N 113.076 . 1 901 82 82 ASP H H 8.092 . 1 902 82 82 ASP HA H 4.711 . 1 903 82 82 ASP HB2 H 2.964 . 1 904 82 82 ASP HB3 H 2.964 . 1 905 82 82 ASP C C 175.400 . 1 906 82 82 ASP CA C 53.447 . 1 907 82 82 ASP CB C 42.306 . 1 908 82 82 ASP N N 120.648 . 1 909 83 83 TYR H H 8.637 . 1 910 83 83 TYR HA H 5.725 . 1 911 83 83 TYR HB2 H 3.140 . 2 912 83 83 TYR HB3 H 2.975 . 2 913 83 83 TYR C C 176.800 . 1 914 83 83 TYR CA C 57.359 . 1 915 83 83 TYR CB C 40.594 . 1 916 83 83 TYR N N 117.015 . 1 917 84 84 VAL H H 8.747 . 1 918 84 84 VAL HA H 5.006 . 1 919 84 84 VAL HB H 2.204 . 1 920 84 84 VAL HG1 H 0.946 . 1 921 84 84 VAL HG2 H 0.520 . 1 922 84 84 VAL C C 175.200 . 1 923 84 84 VAL CA C 58.855 . 1 924 84 84 VAL CB C 35.371 . 1 925 84 84 VAL CG1 C 22.928 . 1 926 84 84 VAL CG2 C 18.193 . 1 927 84 84 VAL N N 111.283 . 1 928 85 85 GLU H H 8.384 . 1 929 85 85 GLU HA H 5.129 . 1 930 85 85 GLU HB2 H 1.951 . 2 931 85 85 GLU HB3 H 1.842 . 2 932 85 85 GLU HG2 H 2.369 . 2 933 85 85 GLU HG3 H 2.089 . 2 934 85 85 GLU C C 174.900 . 1 935 85 85 GLU CA C 55.209 . 1 936 85 85 GLU CB C 33.531 . 1 937 85 85 GLU CG C 37.237 . 1 938 85 85 GLU N N 118.476 . 1 939 86 86 ILE H H 9.344 . 1 940 86 86 ILE HA H 4.951 . 1 941 86 86 ILE HB H 1.809 . 1 942 86 86 ILE HG12 H 0.852 . 2 943 86 86 ILE HG13 H 1.538 . 2 944 86 86 ILE HG2 H 0.775 . 1 945 86 86 ILE HD1 H 0.680 . 1 946 86 86 ILE C C 176.000 . 1 947 86 86 ILE CA C 60.535 . 1 948 86 86 ILE CB C 39.154 . 1 949 86 86 ILE CG1 C 28.083 . 1 950 86 86 ILE CG2 C 18.081 . 1 951 86 86 ILE CD1 C 14.011 . 1 952 86 86 ILE N N 124.495 . 1 953 87 87 VAL H H 9.037 . 1 954 87 87 VAL HA H 4.373 . 1 955 87 87 VAL HB H 2.135 . 1 956 87 87 VAL HG1 H 0.922 . 2 957 87 87 VAL HG2 H 0.821 . 2 958 87 87 VAL C C 175.000 . 1 959 87 87 VAL CA C 62.421 . 1 960 87 87 VAL CB C 34.034 . 1 961 87 87 VAL CG1 C 21.441 . 2 962 87 87 VAL CG2 C 20.565 . 2 963 87 87 VAL N N 127.350 . 1 964 88 88 LEU H H 8.505 . 1 965 88 88 LEU HA H 4.487 . 1 966 88 88 LEU HB2 H 1.566 . 1 967 88 88 LEU HB3 H 1.566 . 1 968 88 88 LEU HG H 1.566 . 1 969 88 88 LEU HD1 H 0.858 . 1 970 88 88 LEU HD2 H 0.793 . 1 971 88 88 LEU C C 176.600 . 1 972 88 88 LEU CA C 54.785 . 1 973 88 88 LEU CB C 42.472 . 1 974 88 88 LEU CG C 27.524 . 1 975 88 88 LEU CD1 C 25.084 . 1 976 88 88 LEU CD2 C 23.884 . 1 977 88 88 LEU N N 126.889 . 1 978 89 89 GLU H H 8.499 . 1 979 89 89 GLU HA H 4.303 . 1 980 89 89 GLU HB2 H 1.957 . 2 981 89 89 GLU HB3 H 1.850 . 2 982 89 89 GLU HG2 H 2.174 . 2 983 89 89 GLU HG3 H 2.131 . 2 984 89 89 GLU C C 177.800 . 1 985 89 89 GLU CA C 56.541 . 1 986 89 89 GLU CB C 31.037 . 1 987 89 89 GLU CG C 36.479 . 1 988 89 89 GLU N N 122.231 . 1 989 90 90 HIS H H 8.461 . 1 990 90 90 HIS CA C 57.480 . 1 991 90 90 HIS N N 120.947 . 1 992 91 91 HIS H H 8.101 . 1 993 91 91 HIS N N 125.473 . 1 stop_ save_ save_Assigned_chemical_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_PfR48.NC.RX.7.85 stop_ _Sample_conditions_label $Sample_condition_list_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name PfR48 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 10 10 TYR HD1 H 6.941 . 1 2 10 10 TYR HD2 H 6.941 . 1 3 10 10 TYR HE1 H 6.570 . 1 4 10 10 TYR HE2 H 6.570 . 1 5 10 10 TYR CD1 C 132.969 . 1 6 10 10 TYR CD2 C 132.969 . 1 7 10 10 TYR CE1 C 117.911 . 1 8 10 10 TYR CE2 C 117.911 . 1 9 45 45 TRP HD1 H 7.324 . 1 10 45 45 TRP HE1 H 11.453 . 3 11 45 45 TRP HE3 H 7.223 . 1 12 45 45 TRP HZ2 H 7.351 . 1 13 45 45 TRP HZ3 H 6.826 . 1 14 45 45 TRP HH2 H 6.989 . 1 15 45 45 TRP CD1 C 126.667 . 1 16 45 45 TRP CE3 C 120.611 . 1 17 45 45 TRP CZ2 C 114.010 . 1 18 45 45 TRP CZ3 C 120.464 . 1 19 45 45 TRP CH2 C 122.925 . 1 20 45 45 TRP NE1 N 133.891 . 3 21 71 71 PHE HD1 H 7.140 . 1 22 71 71 PHE HD2 H 7.140 . 1 23 71 71 PHE HE1 H 7.047 . 1 24 71 71 PHE HE2 H 7.047 . 1 25 71 71 PHE HZ H 6.792 . 1 26 71 71 PHE CD1 C 131.924 . 1 27 71 71 PHE CD2 C 131.924 . 1 28 71 71 PHE CE1 C 130.815 . 1 29 71 71 PHE CE2 C 130.815 . 1 30 71 71 PHE CZ C 128.373 . 1 31 83 83 TYR HD1 H 7.267 . 1 32 83 83 TYR HD2 H 7.267 . 1 33 83 83 TYR HE1 H 6.865 . 1 34 83 83 TYR HE2 H 6.865 . 1 35 83 83 TYR CD1 C 132.956 . 1 36 83 83 TYR CD2 C 132.956 . 1 37 83 83 TYR CE1 C 118.353 . 1 38 83 83 TYR CE2 C 118.353 . 1 stop_ save_ ######################## # Coupling constants # ######################## save_JNH_1 _Saveframe_category coupling_constants _Details . loop_ _Sample_label $sample_PfR48.NC.RX.7.85 stop_ _Sample_conditions_label $Sample_condition_list_1 _Spectrometer_frequency_1H 750 _Mol_system_component_name PfR48 _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 3JHNHA 3 ILE H 3 ILE HA 8.5 . . 1.5 2 3JHNHA 4 LYS H 4 LYS HA 7.1 . . 1.5 3 3JHNHA 6 VAL H 6 VAL HA 7.3 . . 1.5 4 3JHNHA 9 SER H 9 SER HA 6.64 . . 1.5 5 3JHNHA 11 ARG H 11 ARG HA 7.84 . . 1.5 6 3JHNHA 16 ASN H 16 ASN HA 6.72 . . 1.5 7 3JHNHA 22 MET H 22 MET HA 8.32 . . 1.5 8 3JHNHA 25 LYS H 25 LYS HA 8.04 . . 1.5 9 3JHNHA 30 ASN H 30 ASN HA 8.95 . . 1.5 10 3JHNHA 31 SER H 31 SER HA 6.46 . . 1.5 11 3JHNHA 33 GLU H 33 GLU HA 4.22 . . 1.5 12 3JHNHA 35 ALA H 35 ALA HA 3.69 . . 1.5 13 3JHNHA 36 SER H 36 SER HA 2.62 . . 1.5 14 3JHNHA 37 LYS H 37 LYS HA 5.11 . . 1.5 15 3JHNHA 38 LEU H 38 LEU HA 7.03 . . 1.5 16 3JHNHA 39 ILE H 39 ILE HA 2.91 . . 1.5 17 3JHNHA 41 ARG H 41 ARG HA 5.55 . . 1.5 18 3JHNHA 43 VAL H 43 VAL HA 7.68 . . 1.5 19 3JHNHA 45 TRP H 45 TRP HA 8.23 . . 1.5 20 3JHNHA 46 LYS H 46 LYS HA 7.15 . . 1.5 21 3JHNHA 47 SER H 47 SER HA 4.04 . . 1.5 22 3JHNHA 51 LYS H 51 LYS HA 5.97 . . 1.5 23 3JHNHA 52 ILE H 52 ILE HA 7.12 . . 1.5 24 3JHNHA 53 LEU H 53 LEU HA 8.39 . . 1.5 25 3JHNHA 54 LYS H 54 LYS HA 6.99 . . 1.5 26 3JHNHA 56 LYS H 56 LYS HA 7.71 . . 1.5 27 3JHNHA 58 VAL H 58 VAL HA 9.04 . . 1.5 28 3JHNHA 61 HIS H 61 HIS HA 8.3 . . 1.5 29 3JHNHA 63 THR H 63 THR HA 8.49 . . 1.5 30 3JHNHA 64 LYS H 64 LYS HA 8.21 . . 1.5 31 3JHNHA 66 ALA H 66 ALA HA 4.76 . . 1.5 32 3JHNHA 67 VAL H 67 VAL HA 6.75 . . 1.5 33 3JHNHA 68 ARG H 68 ARG HA 7.72 . . 1.5 34 3JHNHA 69 ALA H 69 ALA HA 8.34 . . 1.5 35 3JHNHA 70 ARG H 70 ARG HA 8.06 . . 1.5 36 3JHNHA 71 PHE H 71 PHE HA 8.51 . . 1.5 37 3JHNHA 73 LYS H 73 LYS HA 6.91 . . 1.5 38 3JHNHA 82 ASP H 82 ASP HA 5.62 . . 1.5 39 3JHNHA 84 VAL H 84 VAL HA 8.3 . . 1.5 40 3JHNHA 85 GLU H 85 GLU HA 8.34 . . 1.5 41 3JHNHA 88 LEU H 88 LEU HA 6.76 . . 1.5 42 3JHNHA 89 GLU H 89 GLU HA 6.26 . . 1.5 stop_ save_ save_peak_list_1 _Saveframe_category spectral_peak_list _Details . _Experiment_label . _Number_of_spectral_dimensions 4 _Sample_label $sample_PfR48.NC.RX.7.85 _Sample_conditions_label $Sample_condition_list_1 _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 6173 >> _Spectral_peak_list.ID 1 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_PfR48.NC.RX.7.85 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $Sample_condition_list_1 >> _Spectral_peak_list.Experiment_ID . >> _Spectral_peak_list.Experiment_name . >> _Spectral_peak_list.Number_of_spectral_dimensions 4 >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >>#Index 1Dim 2Dim 3Dim 4Dim Intensity Workbook >>1 4.560 4.571 14.786 13.337 -373173 CC_NOESY >>2 4.750 2.233 27.446 13.337 101743 CC_NOESY >>3 4.454 3.659 23.919 13.610 64887 CC_NOESY >>4 3.777 0.816 13.545 13.636 379328 CC_NOESY >>5 1.838 1.052 24.287 13.643 93026 CC_NOESY >>6 1.921 1.146 25.309 13.651 65442 CC_NOESY >>7 1.657 0.873 25.153 13.651 150874 CC_NOESY >>8 1.938 1.140 21.703 13.659 60047 CC_NOESY >>9 1.810 1.022 23.025 13.670 72850 CC_NOESY >>10 0.861 0.871 25.215 13.671 -1266686 CC_NOESY >>11 0.909 0.922 21.480 13.676 -730195 CC_NOESY >>12 1.675 1.710 29.042 13.690 -257154 CC_NOESY >>13 0.874 0.888 18.781 13.701 -452765 CC_NOESY >>14 1.687 0.909 17.700 13.707 47058 CC_NOESY >>15 2.254 2.282 15.698 13.712 63310 CC_NOESY >>16 1.637 0.853 18.869 13.721 55340 CC_NOESY >>17 1.713 0.927 21.555 13.726 93663 CC_NOESY >>18 0.851 0.065 23.405 13.754 32724 CC_NOESY >>19 1.662 0.867 13.914 13.758 78969 CC_NOESY >>20 2.000 1.236 24.584 13.766 23657 CC_NOESY >>21 0.882 1.878 15.629 13.776 37074 CC_NOESY >>22 0.895 0.907 33.111 13.801 619946 CC_NOESY >>23 5.123 1.956 33.443 13.877 41298 CC_NOESY >>24 4.686 1.481 28.155 14.075 40036 CC_NOESY >>25 3.796 4.324 14.128 14.171 20615 CC_NOESY >>26 4.762 2.059 27.789 14.215 136659 CC_NOESY >>27 4.895 4.682 20.498 14.583 58093 CC_NOESY >>28 4.713 1.959 23.075 14.598 -79054 CC_NOESY >>29 4.833 1.399 13.295 14.689 -125007 CC_NOESY >>30 4.834 1.955 20.969 14.759 234192 CC_NOESY >>31 4.882 4.418 14.647 14.761 44446 CC_NOESY >>32 4.882 1.501 22.553 14.779 -85543 CC_NOESY >>33 4.838 3.919 31.962 14.809 161399 CC_NOESY >>34 4.885 5.062 17.756 14.814 71807 CC_NOESY >>35 4.833 1.162 21.636 14.860 192732 CC_NOESY >>36 4.910 2.446 16.006 14.881 47371 CC_NOESY >>37 4.845 1.333 27.821 14.881 -150630 CC_NOESY >>38 4.559 4.569 13.492 14.889 -249296 CC_NOESY >>39 1.688 1.702 28.989 14.962 163763 CC_NOESY >>40 4.884 1.503 27.815 15.082 55287 CC_NOESY >>41 4.889 1.948 32.754 15.222 74965 CC_NOESY >>42 4.915 4.133 16.426 15.263 50835 CC_NOESY >>43 3.538 4.297 15.008 15.285 29558 CC_NOESY >>44 4.880 3.966 24.686 15.290 75195 CC_NOESY >>45 4.905 3.943 32.712 15.505 48200 CC_NOESY >>46 4.913 1.793 20.002 15.507 54186 CC_NOESY >>47 4.862 0.842 17.879 15.599 74199 CC_NOESY >>48 0.768 0.781 18.155 15.672 -170839 CC_NOESY >>49 2.435 2.234 28.121 15.879 27642 CC_NOESY >>50 4.844 1.007 23.379 15.988 -140061 CC_NOESY >>51 4.878 3.863 25.465 16.179 79511 CC_NOESY >>52 4.885 4.587 14.486 16.186 -86737 CC_NOESY >>53 4.835 4.140 16.300 16.365 -224407 CC_NOESY >>54 4.827 1.739 31.237 16.393 153366 CC_NOESY >>55 4.883 4.760 32.279 16.516 102080 CC_NOESY >>56 4.884 0.896 14.084 16.805 -67130 CC_NOESY >>57 4.856 4.298 23.869 17.093 -120459 CC_NOESY >>58 4.837 4.370 32.705 17.185 149333 CC_NOESY >>59 4.867 4.638 18.514 17.201 116345 CC_NOESY >>60 4.918 1.895 29.094 17.247 57889 CC_NOESY >>61 4.843 3.255 22.434 17.277 179972 CC_NOESY >>62 4.836 1.804 32.434 17.282 -208734 CC_NOESY >>63 4.857 3.220 31.046 17.312 125797 CC_NOESY >>64 4.707 1.531 15.742 17.371 -52987 CC_NOESY >>65 4.738 5.126 14.300 17.400 70074 CC_NOESY >>66 4.887 2.604 20.739 17.545 96786 CC_NOESY >>67 4.219 4.229 15.919 17.551 -122584 CC_NOESY >>68 4.839 5.381 29.473 17.599 -263888 CC_NOESY >>69 4.710 4.634 28.218 17.654 48058 CC_NOESY >>70 4.886 1.838 26.803 17.672 55835 CC_NOESY >>71 4.844 4.356 14.594 17.687 104099 CC_NOESY >>72 4.839 5.018 16.251 17.689 118931 CC_NOESY >>73 4.826 0.627 13.627 17.710 125098 CC_NOESY >>74 4.760 0.818 18.814 17.725 138608 CC_NOESY >>75 1.829 0.958 17.721 17.795 -41354 CC_NOESY >>76 4.911 1.975 23.634 17.851 55284 CC_NOESY >>77 0.511 0.523 19.489 17.875 -153818 CC_NOESY >>78 4.843 1.150 21.315 17.895 191438 CC_NOESY >>79 4.704 5.207 13.295 17.910 50414 CC_NOESY >>80 4.828 1.618 28.504 17.953 164310 CC_NOESY >>81 4.921 2.129 28.439 18.008 54563 CC_NOESY >>82 4.912 1.484 31.700 18.061 52758 CC_NOESY >>83 4.771 3.229 21.080 18.198 138873 CC_NOESY >>84 4.839 1.408 13.295 18.252 134791 CC_NOESY >>85 4.739 1.764 16.221 18.287 49842 CC_NOESY >>86 4.886 1.400 13.295 18.289 82335 CC_NOESY >>87 4.732 1.356 20.763 18.297 45588 CC_NOESY >>88 4.687 4.011 22.459 18.308 40047 CC_NOESY >>89 2.740 1.618 32.726 18.316 26846 CC_NOESY >>90 4.832 1.730 15.177 18.411 173504 CC_NOESY >>91 0.471 0.813 27.344 18.430 33647 CC_NOESY >>92 4.913 4.310 23.920 18.490 76515 CC_NOESY >>93 4.911 1.346 24.000 18.638 79598 CC_NOESY >>94 4.897 1.079 24.271 18.713 66718 CC_NOESY >>95 2.733 1.852 26.833 18.756 20785 CC_NOESY >>96 4.885 1.691 32.857 19.126 48114 CC_NOESY >>97 4.827 3.980 24.337 19.326 94537 CC_NOESY >>98 4.828 3.073 21.608 19.363 177819 CC_NOESY >>99 2.707 4.249 17.682 19.410 17283 CC_NOESY >>100 4.834 4.651 20.700 19.675 207295 CC_NOESY >>101 4.828 1.399 13.746 19.779 -109702 CC_NOESY >>102 4.779 3.117 22.883 19.827 147034 CC_NOESY >>103 2.730 5.008 18.466 19.874 23263 CC_NOESY >>104 4.849 4.369 23.241 20.070 -85041 CC_NOESY >>105 4.805 4.817 13.295 20.150 532954 CC_NOESY >>106 4.839 3.823 22.679 20.185 -216667 CC_NOESY >>107 4.678 4.001 24.599 20.739 41298 CC_NOESY >>108 2.720 5.061 32.759 20.890 19031 CC_NOESY >>109 2.727 1.689 26.890 20.909 17795 CC_NOESY >>110 2.694 1.749 27.496 20.956 16720 CC_NOESY >>111 4.676 1.889 28.790 21.052 41611 CC_NOESY >>112 2.720 1.455 26.921 21.080 25920 CC_NOESY >>113 2.704 3.637 23.987 21.230 16625 CC_NOESY >>114 2.940 4.260 17.404 21.425 23641 CC_NOESY >>115 2.991 1.698 30.987 21.455 29496 CC_NOESY >>116 2.919 0.821 14.545 21.501 17584 CC_NOESY >>117 1.581 0.798 21.729 21.727 74554 CC_NOESY >>118 3.793 0.887 25.186 22.447 44855 CC_NOESY >>119 3.170 4.186 21.137 22.710 16771 CC_NOESY >>120 3.148 2.671 21.562 22.719 16811 CC_NOESY >>121 3.107 5.185 24.670 22.721 16337 CC_NOESY >>122 3.147 1.170 24.886 22.727 21949 CC_NOESY >>123 3.172 4.453 21.645 22.927 18498 CC_NOESY >>124 2.960 1.667 13.295 23.004 21307 CC_NOESY >>125 0.940 0.707 16.136 23.023 32044 CC_NOESY >>126 4.395 3.594 23.920 24.046 -43715 CC_NOESY >>127 0.901 1.575 21.391 24.053 17005 CC_NOESY >>128 3.155 3.755 22.365 24.244 17272 CC_NOESY >>129 -0.099 0.749 22.057 24.660 18244 CC_NOESY >>130 0.984 4.289 15.295 25.127 17681 CC_NOESY >>131 1.658 0.877 25.155 25.191 89462 CC_NOESY >>132 0.853 1.864 23.564 25.820 -42160 CC_NOESY >>133 1.588 4.260 15.252 27.260 18206 CC_NOESY >>134 1.724 1.738 32.601 27.678 61401 CC_NOESY >>135 1.553 2.885 20.969 29.412 -159635 CC_NOESY >>136 3.171 0.805 23.872 30.598 19673 CC_NOESY >>137 2.824 2.841 30.947 31.001 282233 CC_NOESY >>138 2.750 1.020 24.070 31.089 19759 CC_NOESY >>139 4.882 3.064 21.788 31.154 89048 CC_NOESY >>140 0.126 3.112 22.727 31.280 32692 CC_NOESY >>141 2.759 3.488 21.735 31.358 24507 CC_NOESY >>142 4.916 3.626 24.125 31.430 49635 CC_NOESY >>143 4.888 3.919 25.933 31.520 85531 CC_NOESY >>144 4.916 1.576 27.203 31.804 64049 CC_NOESY >>145 4.841 1.504 28.503 32.005 138986 CC_NOESY >>146 4.828 2.230 23.081 32.127 -212433 CC_NOESY >>147 4.736 4.201 31.436 32.187 85421 CC_NOESY >>148 2.171 2.184 13.295 32.284 169946 CC_NOESY >>149 4.833 4.651 18.717 32.308 187090 CC_NOESY >>150 4.733 1.496 18.563 32.382 81748 CC_NOESY >>151 4.712 1.037 27.507 32.429 -47973 CC_NOESY >>152 4.737 1.966 13.577 32.432 118777 CC_NOESY >>153 4.863 2.438 16.072 32.496 -101854 CC_NOESY >>154 4.764 2.062 28.602 32.615 103678 CC_NOESY >>155 4.738 5.024 16.210 32.725 48392 CC_NOESY >>156 4.842 5.081 17.815 32.873 177491 CC_NOESY >>157 0.800 2.878 20.948 32.921 67682 CC_NOESY >>158 4.713 1.544 24.627 32.936 -68478 CC_NOESY >>159 4.841 0.517 22.698 32.978 -152972 CC_NOESY >>160 1.659 0.876 25.179 33.028 60546 CC_NOESY >>161 1.606 0.820 23.858 33.032 24649 CC_NOESY >>162 1.718 1.496 25.079 33.050 -70699 CC_NOESY >>163 4.913 4.632 28.006 33.216 77066 CC_NOESY >>164 4.759 5.415 33.017 33.242 -147688 CC_NOESY >>165 4.890 4.406 17.508 33.273 95880 CC_NOESY >>166 4.889 2.297 13.295 33.331 124502 CC_NOESY >>167 4.914 5.200 14.307 33.419 44624 CC_NOESY >>168 4.913 4.979 15.959 33.463 48635 CC_NOESY >>169 4.739 2.296 16.041 33.477 89612 CC_NOESY >>170 4.737 3.916 25.598 33.483 -62682 CC_NOESY >>171 5.160 0.921 21.504 13.601 44937 CC_NOESY >>172 1.709 1.532 27.738 32.984 64661 CC_NOESY >>173 1.713 0.936 21.555 33.063 61191 CC_NOESY >>174 3.096 1.724 32.687 23.079 -51080 CC_NOESY >>175 1.523 1.737 32.695 27.726 69642 CC_NOESY >>176 1.505 0.920 21.493 27.733 38164 CC_NOESY >>177 1.501 3.118 22.755 27.363 -112426 CC_NOESY >>178 1.502 1.519 27.210 27.251 984902 CC_NOESY >>179 4.657 4.667 18.704 18.704 131242 CC_NOESY >>180 2.001 2.013 20.698 20.699 125149 CC_NOESY >>181 2.001 0.977 17.735 20.695 -63956 CC_NOESY >>182 0.857 2.009 20.648 14.052 -49933 CC_NOESY >>183 0.858 0.870 13.933 13.998 2570632 CC_NOESY >>184 0.858 1.455 27.179 14.056 90439 CC_NOESY >>185 0.860 1.085 27.182 13.999 124275 CC_NOESY >>186 0.857 0.756 22.959 14.019 81404 CC_NOESY >>187 1.447 0.878 13.955 27.230 85178 CC_NOESY >>188 1.446 1.096 27.175 27.243 60437 CC_NOESY >>189 1.085 0.874 13.956 27.189 99006 CC_NOESY >>190 1.083 1.468 27.203 27.227 61090 CC_NOESY >>191 0.966 4.685 18.732 17.691 22229 CC_NOESY >>192 0.964 2.011 20.667 17.744 -81664 CC_NOESY >>193 0.965 0.856 13.917 17.748 141010 CC_NOESY >>194 0.965 1.453 27.176 17.748 36227 CC_NOESY >>195 0.965 1.096 27.161 17.801 43902 CC_NOESY >>196 0.964 0.975 17.695 17.739 3231164 CC_NOESY >>197 0.967 0.703 14.033 17.774 44918 CC_NOESY >>198 5.176 1.858 14.697 14.496 -52652 CC_NOESY >>199 1.865 1.494 29.235 14.774 -50354 CC_NOESY >>200 1.840 1.594 25.479 14.730 -101949 CC_NOESY >>201 1.826 2.710 20.975 14.633 18684 CC_NOESY >>202 1.838 1.854 14.634 14.663 449755 CC_NOESY >>203 1.478 1.857 14.749 29.302 -62372 CC_NOESY >>204 1.478 1.487 25.653 29.289 235854 CC_NOESY >>205 1.478 1.493 29.244 29.287 1699786 CC_NOESY >>206 1.474 2.706 20.959 29.299 -100910 CC_NOESY >>207 1.478 1.028 25.466 29.297 39130 CC_NOESY >>208 2.704 1.848 14.951 21.021 34817 CC_NOESY >>209 2.702 1.571 25.570 20.980 -42349 CC_NOESY >>210 2.701 1.490 29.257 20.981 -85550 CC_NOESY >>211 2.699 2.713 20.960 21.002 4131126 CC_NOESY >>212 1.605 1.478 29.240 25.634 138854 CC_NOESY >>213 1.474 1.487 29.239 25.701 186901 CC_NOESY >>214 1.604 1.607 25.551 25.599 461334 CC_NOESY >>215 1.596 1.853 14.739 25.603 -87036 CC_NOESY >>216 1.479 1.850 14.689 25.515 -81806 CC_NOESY >>217 3.119 5.165 24.274 24.285 16363 CC_NOESY >>218 3.136 3.149 24.061 24.246 62171 CC_NOESY >>219 4.899 4.957 18.807 18.800 92349 CC_NOESY >>220 4.940 0.798 21.374 18.686 77993 CC_NOESY >>221 4.930 5.733 16.127 18.699 51309 CC_NOESY >>222 1.766 1.781 14.813 14.852 431001 CC_NOESY >>223 1.763 0.796 21.349 14.839 -106753 CC_NOESY >>224 0.780 1.040 25.501 21.527 52185 CC_NOESY >>225 0.782 1.019 23.179 21.661 151219 CC_NOESY >>226 0.792 1.686 28.384 21.774 18704 CC_NOESY >>227 0.776 5.748 15.982 21.715 18117 CC_NOESY >>228 0.780 0.795 21.724 21.759 6351526 CC_NOESY >>229 2.285 0.536 22.216 31.647 47887 CC_NOESY >>230 2.286 0.734 22.144 31.639 51855 CC_NOESY >>231 2.288 3.559 15.550 31.755 19600 CC_NOESY >>232 0.518 3.768 22.443 22.326 20771 CC_NOESY >>233 0.521 2.297 31.613 22.312 59542 CC_NOESY >>234 0.519 0.534 22.256 22.296 1085553 CC_NOESY >>235 0.517 3.555 15.592 22.253 47795 CC_NOESY >>236 0.724 3.765 22.696 21.811 21174 CC_NOESY >>237 0.721 2.296 31.582 22.185 66564 CC_NOESY >>238 0.702 0.929 28.190 22.408 18372 CC_NOESY >>239 4.390 0.766 22.367 14.402 105528 CC_NOESY >>240 0.755 4.401 14.371 22.427 73109 CC_NOESY >>241 0.754 1.641 26.683 22.439 63621 CC_NOESY >># 242 0.776 1.513 18.744 22.163 17575 CC_NOESY >>243 0.809 1.491 22.613 25.748 -47097 CC_NOESY >>244 0.808 0.482 18.421 25.755 82163 CC_NOESY >>245 0.809 1.529 18.777 25.767 49698 CC_NOESY >>246 1.624 0.765 22.463 26.727 43282 CC_NOESY >>247 4.337 3.804 22.754 16.464 65160 CC_NOESY >>248 4.337 0.870 25.128 16.402 41066 CC_NOESY >>249 4.338 0.570 23.798 16.480 55079 CC_NOESY >>250 3.802 3.809 22.707 22.740 386588 CC_NOESY >>251 3.667 3.789 22.773 22.818 171656 CC_NOESY >>252 3.653 3.667 22.851 22.656 172829 CC_NOESY >>253 2.863 2.880 19.714 19.645 87253 CC_NOESY >>254 4.412 4.436 14.202 14.260 314860 CC_NOESY >>255 4.431 1.520 27.311 13.947 49278 CC_NOESY >>256 1.808 1.470 31.618 31.648 51006 CC_NOESY >>257 1.471 1.813 31.621 31.672 50896 CC_NOESY >>258 1.467 1.477 31.630 31.696 66799 CC_NOESY >>259 1.455 1.504 27.184 31.647 60147 CC_NOESY >>260 3.143 1.800 31.285 22.778 -93733 CC_NOESY >>261 1.492 1.460 31.635 27.256 59728 CC_NOESY >>262 1.497 4.444 13.905 27.279 19053 CC_NOESY >>263 1.498 1.807 31.614 27.288 68156 CC_NOESY >>264 4.558 4.570 14.781 14.831 3172795 CC_NOESY >>265 4.582 1.803 31.299 14.234 48360 CC_NOESY >>266 4.583 1.617 27.283 14.513 57158 CC_NOESY >>267 1.817 1.617 27.312 31.264 152059 CC_NOESY >>268 1.748 1.782 31.313 31.352 240753 CC_NOESY >>269 1.747 1.605 27.287 31.346 103263 CC_NOESY >>270 3.145 1.620 27.335 22.815 -189666 CC_NOESY >>271 3.144 3.159 22.797 22.839 5045821 CC_NOESY >>272 1.593 1.792 31.306 27.324 161392 CC_NOESY >>273 1.589 1.601 27.440 27.485 1431531 CC_NOESY >>274 4.529 4.546 16.327 16.395 210616 CC_NOESY >>275 4.530 3.893 23.176 16.354 58823 CC_NOESY >>276 4.000 3.896 23.174 23.210 155339 CC_NOESY >>277 3.863 3.881 22.767 22.780 279013 CC_NOESY >>278 4.168 1.854 32.640 16.633 162380 CC_NOESY >>279 4.193 1.717 29.173 16.319 45975 CC_NOESY >>280 4.177 1.479 25.143 16.452 71020 CC_NOESY >>281 1.843 4.187 16.517 32.650 102701 CC_NOESY >>282 1.842 1.854 32.658 32.696 1343773 CC_NOESY >>283 1.849 1.697 29.124 32.658 102606 CC_NOESY >>284 1.848 1.474 24.984 32.676 138443 CC_NOESY >>285 1.690 1.870 32.603 29.168 71774 CC_NOESY >>286 1.706 4.200 16.273 29.217 33561 CC_NOESY >>287 1.687 1.702 29.066 29.113 6297634 CC_NOESY >>288 1.691 1.474 24.986 29.143 944521 CC_NOESY >>289 2.996 1.698 28.932 21.437 -342989 CC_NOESY >>290 2.993 1.451 25.001 21.384 -148832 CC_NOESY >>291 2.991 3.004 21.370 21.413 26231090 CC_NOESY >>292 1.452 1.849 32.651 25.020 140369 CC_NOESY >>293 1.469 1.718 29.141 25.050 721749 CC_NOESY >>294 1.493 3.031 21.424 24.982 -109121 CC_NOESY >>295 1.463 1.470 24.969 25.010 2704512 CC_NOESY >>296 4.210 2.050 29.705 16.142 94683 CC_NOESY >>297 4.208 2.276 15.830 16.087 -120488 CC_NOESY >>298 4.198 4.206 16.205 16.251 1249760 CC_NOESY >>299 2.066 2.074 29.873 29.888 485843 CC_NOESY >>300 2.057 2.279 15.784 29.786 -228544 CC_NOESY >>301 1.948 4.214 16.096 29.650 32639 CC_NOESY >>302 1.949 1.980 29.707 29.765 374690 CC_NOESY >>303 1.947 2.277 15.785 29.722 -162376 CC_NOESY >>304 2.264 4.218 15.942 15.867 -81678 CC_NOESY >>305 2.266 2.058 29.729 15.807 -215005 CC_NOESY >>306 2.266 2.280 15.819 15.858 2516796 CC_NOESY >>307 4.686 4.703 32.596 32.636 123008 CC_NOESY >>308 2.884 2.893 18.265 18.325 236955 CC_NOESY >>309 2.887 2.747 18.271 18.348 153192 CC_NOESY >>310 2.704 4.684 32.685 18.536 24672 CC_NOESY >>311 4.243 1.867 29.031 15.215 51798 CC_NOESY >>312 4.245 4.258 15.297 15.338 1321796 CC_NOESY >>313 1.842 4.267 15.237 29.085 32291 CC_NOESY >>314 2.174 4.256 15.188 13.337 -51336 CC_NOESY >>315 2.178 1.868 29.051 13.337 -106065 CC_NOESY >>316 4.667 4.682 14.258 14.308 168885 CC_NOESY >>317 3.156 3.172 30.740 30.781 1914111 CC_NOESY >>318 3.024 3.028 30.827 30.865 5166152 CC_NOESY >>319 2.715 2.736 17.917 17.791 287410 CC_NOESY >>320 3.129 3.146 18.131 18.261 40053 CC_NOESY >>321 3.117 2.516 18.151 18.166 22197 CC_NOESY >>322 2.514 3.151 18.402 18.294 19752 CC_NOESY >>323 2.497 2.513 18.055 18.157 30752 CC_NOESY >>324 5.101 5.107 19.801 19.890 74854 CC_NOESY >>325 5.094 0.914 21.521 20.052 68423 CC_NOESY >>326 1.956 1.960 13.295 13.337 222448 CC_NOESY >>327 0.919 5.109 19.783 21.709 33124 CC_NOESY >>328 0.908 3.199 22.797 21.659 -42626 CC_NOESY >>329 0.910 1.965 13.295 21.615 -99366 CC_NOESY >>330 0.908 0.921 21.480 21.524 6505288 CC_NOESY >>331 0.774 5.105 19.987 21.954 26619 CC_NOESY >>332 0.773 1.963 13.295 21.869 -74950 CC_NOESY >>333 0.776 5.179 13.295 21.911 17606 CC_NOESY >>334 1.868 1.879 15.593 15.662 256122 CC_NOESY >>335 2.173 2.175 32.295 32.312 185369 CC_NOESY >>336 4.738 0.858 26.030 18.129 79510 CC_NOESY >>337 4.741 4.873 16.585 17.693 80101 CC_NOESY >>338 1.742 0.151 31.282 15.508 23918 CC_NOESY >>339 1.737 0.490 18.408 15.392 -46107 CC_NOESY >>340 0.131 1.758 15.268 31.239 23138 CC_NOESY >>341 0.129 0.143 31.252 31.297 2168092 CC_NOESY >>342 0.129 0.483 18.408 31.289 -129132 CC_NOESY >>343 0.860 0.492 18.332 27.436 26757 CC_NOESY >>344 0.739 0.500 18.381 27.496 18519 CC_NOESY >>345 0.515 0.768 22.245 18.217 153509 CC_NOESY >>346 0.474 0.828 25.675 18.453 71513 CC_NOESY >>347 0.472 1.740 15.346 18.458 -54177 CC_NOESY >>348 0.472 0.145 31.262 18.458 -103409 CC_NOESY >>349 0.474 1.525 18.731 18.405 65446 CC_NOESY >>350 0.488 0.499 18.391 18.447 1486508 CC_NOESY >>351 1.421 0.523 17.594 22.205 -47347 CC_NOESY >>352 1.424 0.704 18.013 22.265 -45174 CC_NOESY >>353 1.438 1.441 22.273 22.314 104849 CC_NOESY >>354 0.747 3.765 22.409 15.929 17830 CC_NOESY >>355 0.748 0.757 15.970 16.015 1715703 CC_NOESY >>356 0.748 1.334 28.148 15.994 70318 CC_NOESY >>357 0.747 0.963 28.142 16.026 72635 CC_NOESY >>358 0.748 0.525 17.835 16.035 142801 CC_NOESY >>359 0.748 1.073 23.945 16.029 114776 CC_NOESY >>360 1.322 0.762 15.980 28.190 54568 CC_NOESY >>361 1.325 0.973 28.131 28.160 46557 CC_NOESY >>362 1.323 0.524 17.823 28.266 30015 CC_NOESY >>363 0.954 0.758 15.968 28.188 60096 CC_NOESY >>364 0.944 1.340 28.153 28.184 40144 CC_NOESY >>365 0.952 0.518 17.673 28.162 23746 CC_NOESY >>366 1.320 1.333 28.196 28.263 83568 CC_NOESY >>367 0.502 1.441 22.276 17.788 -48929 CC_NOESY >>368 0.511 0.760 15.965 17.867 139448 CC_NOESY >>369 0.512 1.342 28.137 17.827 28619 CC_NOESY >>370 0.511 0.958 28.224 17.691 36219 CC_NOESY >>371 1.685 2.141 14.246 14.096 16455 CC_NOESY >>372 4.808 5.071 29.963 19.510 -148813 CC_NOESY >>373 2.040 0.866 20.930 30.705 22535 CC_NOESY >>374 2.032 0.692 13.900 30.673 20628 CC_NOESY >>375 1.889 0.874 21.043 30.747 27767 CC_NOESY >>376 2.001 1.463 28.238 28.329 18522 CC_NOESY >>377 2.029 0.913 26.528 28.295 18566 CC_NOESY >>378 4.091 1.018 23.214 16.091 107642 CC_NOESY >>379 1.795 1.799 19.933 20.013 57266 CC_NOESY >>380 1.794 1.620 19.987 19.978 57698 CC_NOESY >>381 1.596 1.786 19.974 20.032 56457 CC_NOESY >>382 1.593 1.034 25.501 20.029 -51288 CC_NOESY >>383 1.012 1.852 14.713 25.443 -72208 CC_NOESY >>384 1.017 1.490 29.247 25.522 39879 CC_NOESY >>385 1.019 0.787 21.531 25.524 48094 CC_NOESY >>386 1.020 4.135 16.129 25.534 20185 CC_NOESY >>387 1.020 1.786 19.975 25.590 -44062 CC_NOESY >>388 1.017 1.615 19.974 25.537 -57215 CC_NOESY >>389 1.016 1.030 25.468 25.536 4406077 CC_NOESY >>390 1.016 1.715 28.151 25.521 95640 CC_NOESY >>391 1.005 4.105 16.059 23.260 99016 CC_NOESY >>392 1.003 1.619 19.910 23.243 -45948 CC_NOESY >>393 1.006 1.018 23.047 23.093 4826696 CC_NOESY >>394 1.004 1.712 28.169 23.229 88018 CC_NOESY >>395 1.690 0.805 21.645 28.469 17554 CC_NOESY >>396 1.706 1.031 25.491 28.182 75130 CC_NOESY >>397 4.453 2.982 19.753 14.247 -46274 CC_NOESY >>398 2.963 2.721 19.787 19.856 109786 CC_NOESY >>399 2.703 2.948 19.782 19.831 104513 CC_NOESY >>400 4.160 0.991 21.911 21.083 58664 CC_NOESY >>401 4.161 0.881 21.036 21.118 65764 CC_NOESY >>402 4.156 4.170 21.110 21.162 270298 CC_NOESY >>403 1.964 0.868 20.992 32.695 40912 CC_NOESY >>404 0.971 4.172 21.009 21.966 47937 CC_NOESY >>405 0.975 1.972 32.654 21.978 36107 CC_NOESY >>406 0.978 2.164 30.937 21.956 48779 CC_NOESY >>407 0.976 2.022 30.882 21.932 41770 CC_NOESY >>408 0.976 3.841 13.851 21.973 64353 CC_NOESY >>409 0.973 0.984 22.062 22.099 4503816 CC_NOESY >>410 0.861 2.056 30.717 21.112 32034 CC_NOESY >>411 0.860 1.971 32.661 21.053 44572 CC_NOESY >>412 0.857 1.373 18.357 20.926 16056 CC_NOESY >>413 5.398 5.410 32.532 32.557 154928 CC_NOESY >>414 3.101 5.432 32.319 20.387 20550 CC_NOESY >>415 3.107 2.625 20.440 20.462 52045 CC_NOESY >>416 2.617 3.114 20.398 20.452 57005 CC_NOESY >>417 4.885 4.372 25.618 15.052 92232 CC_NOESY >>418 3.923 3.914 25.656 25.682 113120 CC_NOESY >>419 4.222 1.872 30.674 17.585 40219 CC_NOESY >>420 4.216 1.715 27.402 17.538 41953 CC_NOESY >>421 4.218 1.375 18.365 17.536 59477 CC_NOESY >>422 4.218 1.020 22.606 17.495 41019 CC_NOESY >>423 4.236 4.250 17.192 17.234 564450 CC_NOESY >>424 1.942 4.214 17.533 30.798 16412 CC_NOESY >>425 1.920 3.186 22.931 30.792 -41224 CC_NOESY >>426 1.925 1.714 27.352 30.705 89617 CC_NOESY >>427 1.838 1.860 31.094 31.132 554214 CC_NOESY >>428 1.694 4.242 17.453 27.367 23368 CC_NOESY >>429 1.703 1.901 30.678 27.400 99985 CC_NOESY >>430 1.694 3.205 22.972 27.383 -138381 CC_NOESY >>431 1.713 1.396 18.440 27.302 16682 CC_NOESY >>432 1.709 0.949 19.305 27.329 46981 CC_NOESY >>433 1.706 1.716 27.398 27.452 708370 CC_NOESY >>434 4.004 4.020 19.178 19.222 449429 CC_NOESY >>435 4.004 2.153 28.923 19.222 48095 CC_NOESY >>436 4.002 1.961 28.937 19.178 70250 CC_NOESY >>437 2.146 4.017 19.196 28.974 38981 CC_NOESY >>438 1.946 4.024 19.189 28.924 48568 CC_NOESY >>439 1.941 2.475 16.382 28.955 -48178 CC_NOESY >>440 1.953 1.965 28.901 28.931 586119 CC_NOESY >>441 2.135 2.129 28.863 28.910 454884 CC_NOESY >>442 2.465 1.958 28.908 16.379 -50388 CC_NOESY >>443 2.461 2.300 16.346 16.398 228649 CC_NOESY >>444 4.089 4.105 17.194 17.244 314133 CC_NOESY >>445 3.828 0.985 21.914 13.887 59038 CC_NOESY >>446 3.821 1.374 18.399 13.959 82551 CC_NOESY >>447 1.348 0.863 21.250 18.400 18453 CC_NOESY >>448 1.369 4.238 17.489 18.330 49798 CC_NOESY >>449 1.371 1.915 30.712 18.300 18753 CC_NOESY >>450 1.372 1.720 27.527 18.243 17708 CC_NOESY >>451 1.365 3.837 13.875 18.403 86535 CC_NOESY >>452 1.369 1.381 18.438 18.475 1504229 CC_NOESY >>453 1.354 2.292 31.968 18.411 17421 CC_NOESY >>454 1.366 0.923 19.418 18.335 21221 CC_NOESY >>455 3.871 3.882 20.143 20.188 278745 CC_NOESY >>456 3.870 4.006 21.645 20.218 84459 CC_NOESY >>457 3.874 0.910 33.121 20.106 -65467 CC_NOESY >>458 3.874 1.024 22.563 20.178 78880 CC_NOESY >>459 3.991 3.881 20.092 21.654 73452 CC_NOESY >>460 4.201 2.001 32.166 16.193 41767 CC_NOESY >>461 2.006 4.207 16.183 32.123 33603 CC_NOESY >>462 1.715 4.109 17.303 29.261 19003 CC_NOESY >>463 1.715 2.005 32.139 29.218 38259 CC_NOESY >>464 1.492 2.007 32.127 25.535 24534 CC_NOESY >>465 1.628 4.229 15.975 25.322 16620 CC_NOESY >>466 1.613 2.000 32.070 25.600 24525 CC_NOESY >>467 1.632 1.859 32.084 25.644 20070 CC_NOESY >>468 1.484 4.199 16.351 25.350 37479 CC_NOESY >>469 4.124 4.144 33.449 33.496 115584 CC_NOESY >>470 4.131 0.740 23.034 33.504 -75270 CC_NOESY >>471 1.559 2.019 21.335 21.520 18737 CC_NOESY >>472 2.004 1.584 21.508 21.503 25069 CC_NOESY >>473 1.568 1.574 21.698 21.727 282920 CC_NOESY >>474 0.908 0.920 26.602 26.648 1359499 CC_NOESY >>475 0.908 0.741 23.009 26.635 172032 CC_NOESY >># 476 0.725 0.984 17.726 23.141 19407 CC_NOESY >>477 0.727 4.138 33.455 23.066 -80144 CC_NOESY >>478 0.727 0.924 26.607 23.058 150943 CC_NOESY >>479 0.728 1.780 27.227 23.017 67148 CC_NOESY >>480 0.730 0.738 22.668 22.721 3427283 CC_NOESY >>481 1.768 0.749 22.997 27.369 49148 CC_NOESY >>482 3.247 0.914 33.108 22.524 -42311 CC_NOESY >>483 3.252 1.119 28.689 22.590 17663 CC_NOESY >>484 3.242 1.627 28.968 22.598 20260 CC_NOESY >>485 3.244 0.876 17.784 22.501 65987 CC_NOESY >>486 1.866 0.913 33.097 15.678 54362 CC_NOESY >>487 1.871 0.900 17.677 15.687 -102831 CC_NOESY >>488 0.891 3.878 20.162 33.130 -63819 CC_NOESY >>489 0.892 3.268 22.481 33.109 -45524 CC_NOESY >>490 0.896 1.882 15.616 33.136 68844 CC_NOESY >>491 0.894 0.908 33.116 33.149 3452522 CC_NOESY >>492 0.891 1.102 28.791 33.130 -145067 CC_NOESY >>493 0.893 0.765 18.119 33.119 -68965 CC_NOESY >>494 0.898 1.030 22.559 33.122 -109935 CC_NOESY >>495 1.095 0.912 33.111 28.781 -110611 CC_NOESY >>496 1.095 1.108 28.763 28.862 77767 CC_NOESY >>497 1.093 1.628 28.817 28.863 74388 CC_NOESY >>498 1.091 0.891 17.754 28.838 37073 CC_NOESY >>499 1.605 1.113 28.700 28.728 54335 CC_NOESY >>500 1.614 0.884 17.792 28.827 42579 CC_NOESY >>501 0.884 3.263 22.471 17.704 84003 CC_NOESY >>502 0.882 1.883 15.636 17.712 -153611 CC_NOESY >>503 0.883 1.114 28.799 17.751 51250 CC_NOESY >>504 0.881 1.623 28.787 17.711 65029 CC_NOESY >>505 0.883 0.899 17.688 17.720 3140908 CC_NOESY >>506 3.640 3.651 23.928 23.970 6182609 CC_NOESY >>507 4.495 4.526 24.088 24.040 42379 CC_NOESY >>508 1.658 1.648 23.400 23.432 168168 CC_NOESY >>509 1.589 1.629 23.362 23.410 141879 CC_NOESY >>510 1.594 0.906 24.886 23.472 -50793 CC_NOESY >>511 1.609 2.924 21.143 23.768 16780 CC_NOESY >>512 0.987 1.638 23.430 24.881 -63255 CC_NOESY >>513 0.876 1.621 23.397 24.991 -79534 CC_NOESY >>514 0.877 1.708 29.471 24.981 36072 CC_NOESY >>515 0.861 0.871 25.200 25.246 11884746 CC_NOESY >>516 1.601 1.621 23.384 27.422 -165522 CC_NOESY >>517 1.577 0.881 25.295 27.472 174379 CC_NOESY >>518 4.999 0.803 22.168 17.909 61795 CC_NOESY >>519 1.397 1.410 13.736 13.771 177038 CC_NOESY >>520 1.396 0.758 22.360 13.859 -75494 CC_NOESY >>521 0.776 1.405 13.718 22.248 -69229 CC_NOESY >>522 0.706 1.403 13.703 22.573 -72767 CC_NOESY >>523 0.701 0.823 14.429 22.718 55735 CC_NOESY >>524 0.706 1.648 28.915 22.683 37487 CC_NOESY >>525 0.705 1.071 23.970 22.585 95737 CC_NOESY >>526 5.361 0.856 23.811 32.900 -69475 CC_NOESY >>527 1.326 1.342 23.535 23.595 41785 CC_NOESY >>528 1.319 1.857 23.596 23.499 31917 CC_NOESY >>529 1.308 1.341 25.007 23.579 -78034 CC_NOESY >>530 1.848 1.336 23.566 23.493 32566 CC_NOESY >>531 1.871 1.879 23.530 23.719 32534 CC_NOESY >>532 1.817 0.841 23.790 23.801 -51087 CC_NOESY >>533 0.843 5.378 32.865 23.775 -46211 CC_NOESY >>534 0.846 5.489 13.946 23.821 32006 CC_NOESY >>535 0.844 1.350 25.193 23.841 55497 CC_NOESY >>536 0.848 1.525 25.215 23.822 32471 CC_NOESY >>537 5.013 5.035 15.743 15.595 70798 CC_NOESY >>538 2.804 0.964 22.996 31.446 24927 CC_NOESY >>539 7.322 0.970 23.007 23.117 -65390 CC_NOESY >>540 1.509 1.332 32.651 32.684 79112 CC_NOESY >>541 1.506 1.189 24.364 32.576 28987 CC_NOESY >>542 1.508 1.049 24.403 32.834 28027 CC_NOESY >>543 1.307 1.523 32.676 32.678 89026 CC_NOESY >>544 1.307 1.329 32.606 32.655 87639 CC_NOESY >>545 1.306 1.186 24.351 32.683 34142 CC_NOESY >>546 1.303 1.027 24.537 32.697 36654 CC_NOESY >>547 1.309 1.565 29.399 32.668 29922 CC_NOESY >>548 1.555 1.320 32.684 29.488 35020 CC_NOESY >>549 1.561 1.222 24.562 29.371 130523 CC_NOESY >>550 1.556 1.036 24.440 29.450 70869 CC_NOESY >>551 1.556 1.572 29.371 29.411 3180696 CC_NOESY >>552 1.550 0.822 32.898 29.408 -41513 CC_NOESY >>553 1.175 1.507 32.743 24.489 22783 CC_NOESY >>554 1.185 1.333 32.594 24.402 28408 CC_NOESY >>555 1.206 1.588 29.314 24.662 151152 CC_NOESY >>556 1.014 4.312 13.725 24.540 21035 CC_NOESY >>557 1.006 1.310 32.736 24.509 28828 CC_NOESY >>558 3.222 3.239 15.127 15.179 87670 CC_NOESY >>559 3.227 4.111 22.091 15.339 28781 CC_NOESY >>560 3.225 3.492 22.127 15.215 30584 CC_NOESY >>561 3.226 3.872 30.373 15.182 -51306 CC_NOESY >>562 4.097 3.502 22.092 22.150 67412 CC_NOESY >>563 3.482 4.105 22.083 22.089 66226 CC_NOESY >>564 3.483 3.496 22.097 22.140 118238 CC_NOESY >>565 4.277 4.294 24.053 24.090 329517 CC_NOESY >>566 4.278 2.443 31.778 24.148 58382 CC_NOESY >>567 2.435 4.294 23.992 31.806 51385 CC_NOESY >>568 2.435 1.962 31.769 31.791 87943 CC_NOESY >>569 2.433 2.161 27.911 31.822 49528 CC_NOESY >>570 1.953 4.303 23.972 31.938 21607 CC_NOESY >>571 1.947 2.445 31.815 31.820 76020 CC_NOESY >>572 1.948 2.169 27.926 31.853 54054 CC_NOESY >>573 3.847 3.240 15.153 30.445 -40377 CC_NOESY >>574 3.854 2.165 27.933 30.351 -41236 CC_NOESY >>575 3.849 3.868 30.348 30.388 134174 CC_NOESY >>576 2.178 4.288 24.003 27.870 16412 CC_NOESY >>577 2.186 2.441 31.744 27.949 44832 CC_NOESY >>578 2.186 1.960 31.811 27.979 41932 CC_NOESY >>579 2.184 2.176 27.865 27.905 211522 CC_NOESY >>580 2.106 2.444 31.744 28.065 33033 CC_NOESY >>581 2.114 1.965 31.797 27.888 32781 CC_NOESY >>582 2.110 2.162 27.935 27.939 141609 CC_NOESY >>583 4.399 4.032 22.365 17.210 87604 CC_NOESY >>584 4.030 4.417 17.075 22.327 46755 CC_NOESY >>585 3.307 3.313 24.252 24.322 56523 CC_NOESY >>586 3.302 4.357 24.223 24.280 50250 CC_NOESY >>587 4.347 1.039 24.458 24.524 -42376 CC_NOESY >>588 4.354 3.319 24.265 24.299 54570 CC_NOESY >>589 4.357 4.357 24.263 24.244 66007 CC_NOESY >>590 4.238 1.643 32.883 14.528 88131 CC_NOESY >>591 4.237 1.371 25.012 14.572 45718 CC_NOESY >>592 4.240 1.676 28.772 14.584 40732 CC_NOESY >>593 1.667 0.806 32.840 32.795 -54533 CC_NOESY >>594 1.607 4.252 14.522 32.908 34494 CC_NOESY >>595 1.614 1.390 24.974 32.912 107797 CC_NOESY >>596 1.612 1.146 25.169 33.032 18356 CC_NOESY >>597 1.606 1.639 32.878 32.925 396774 CC_NOESY >>598 1.662 4.261 14.555 28.879 25725 CC_NOESY >>599 1.403 1.644 32.861 25.011 118450 CC_NOESY >>600 1.302 4.254 14.588 25.035 23132 CC_NOESY >>601 1.303 1.629 32.894 25.055 89191 CC_NOESY >>602 1.304 1.666 28.891 25.011 151480 CC_NOESY >>603 1.311 1.325 24.998 25.042 909424 CC_NOESY >>604 4.659 0.816 32.798 18.794 -62614 CC_NOESY >>605 4.654 0.827 18.974 18.703 40473 CC_NOESY >>606 1.869 1.881 17.528 17.567 267205 CC_NOESY >>607 1.866 0.810 32.841 17.495 52162 CC_NOESY >>608 1.869 1.617 27.837 17.573 -41766 CC_NOESY >>609 1.868 0.842 18.859 17.566 -89430 CC_NOESY >>610 0.800 1.880 17.548 32.914 69923 CC_NOESY >>611 0.800 0.811 32.846 32.895 6732404 CC_NOESY >>612 0.799 1.614 27.797 32.911 -130900 CC_NOESY >>613 0.799 1.083 27.789 32.895 -161549 CC_NOESY >>614 1.600 1.093 27.824 27.829 123912 CC_NOESY >>615 1.602 0.851 18.868 27.832 48197 CC_NOESY >>616 1.088 0.818 32.876 27.881 -113456 CC_NOESY >>617 1.083 1.614 27.799 27.848 136779 CC_NOESY >>618 1.084 1.093 27.758 27.810 202167 CC_NOESY >>619 1.078 0.844 18.857 27.821 34649 CC_NOESY >>620 0.835 0.847 18.860 18.907 3198624 CC_NOESY >>621 0.832 1.337 25.174 18.901 23013 CC_NOESY >>622 0.832 1.511 25.239 18.864 26427 CC_NOESY >>623 4.924 1.834 14.612 33.294 43617 CC_NOESY >>624 2.185 2.183 23.448 23.428 27510 CC_NOESY >>625 2.180 1.981 23.367 23.456 31421 CC_NOESY >>626 1.946 2.189 23.457 23.448 33226 CC_NOESY >>627 1.947 1.969 23.414 23.418 63825 CC_NOESY >>628 1.120 4.113 22.147 25.197 16446 CC_NOESY >>629 1.127 3.492 22.010 25.233 23102 CC_NOESY >>630 1.134 1.629 32.843 25.339 17007 CC_NOESY >>631 1.123 1.136 25.292 25.337 5235641 CC_NOESY >>632 1.122 1.960 28.844 25.330 77442 CC_NOESY >>633 1.131 -0.087 24.301 25.427 17424 CC_NOESY >>634 1.125 0.066 23.340 25.321 66216 CC_NOESY >>635 1.038 1.649 32.905 24.369 30447 CC_NOESY >>636 1.035 3.003 21.376 24.426 -45890 CC_NOESY >>637 1.036 1.048 24.338 24.378 7584290 CC_NOESY >>638 1.949 2.171 23.463 28.899 -44304 CC_NOESY >>639 1.951 1.971 23.478 28.949 -79165 CC_NOESY >>640 1.953 1.139 25.287 28.889 78239 CC_NOESY >>641 1.958 1.049 24.344 28.887 70997 CC_NOESY >>642 5.459 5.471 13.965 14.030 168552 CC_NOESY >>643 1.815 2.960 21.217 14.883 18069 CC_NOESY >>644 2.964 1.720 29.334 21.315 -218250 CC_NOESY >>645 2.921 2.933 21.136 21.174 7362386 CC_NOESY >>646 1.334 0.855 23.778 25.264 39856 CC_NOESY >>647 1.324 0.853 18.848 25.170 20180 CC_NOESY >>648 1.507 0.847 23.872 25.124 26028 CC_NOESY >>649 5.137 1.567 15.946 13.337 -68146 CC_NOESY >>650 5.153 5.168 13.295 13.337 273038 CC_NOESY >>651 1.555 1.570 15.921 15.965 839061 CC_NOESY >>652 1.552 2.937 21.062 15.873 39303 CC_NOESY >>653 1.560 1.236 24.672 15.973 -137720 CC_NOESY >>654 2.919 1.644 23.290 21.076 25537 CC_NOESY >>655 2.912 1.565 15.885 21.097 51696 CC_NOESY >>656 2.912 1.230 24.653 21.114 -81702 CC_NOESY >>657 1.216 5.178 13.295 24.703 17221 CC_NOESY >>658 1.211 1.561 15.924 24.698 -126299 CC_NOESY >>659 1.213 2.922 21.050 24.714 -75736 CC_NOESY >>660 1.223 0.965 22.092 24.696 25397 CC_NOESY >>661 1.216 1.227 24.655 24.698 1348929 CC_NOESY >>662 0.784 4.148 21.593 14.622 21218 CC_NOESY >>663 0.785 2.174 15.466 14.648 -42015 CC_NOESY >>664 0.782 0.798 14.518 14.580 1349439 CC_NOESY >>665 0.798 0.745 18.084 14.651 99257 CC_NOESY >>666 0.783 1.645 29.057 14.634 58123 CC_NOESY >>667 0.794 1.082 23.928 14.656 24729 CC_NOESY >>668 1.654 0.799 14.488 29.127 48942 CC_NOESY >>669 0.776 0.925 26.686 18.105 36178 CC_NOESY >>670 0.761 3.259 22.456 18.271 63886 CC_NOESY >>671 0.758 1.119 28.807 18.273 16029 CC_NOESY >>672 0.777 2.110 30.513 18.290 22511 CC_NOESY >>673 0.768 4.161 21.473 18.169 35867 CC_NOESY >>674 0.771 1.645 28.666 18.163 44026 CC_NOESY >>675 0.768 2.223 15.556 18.225 -86596 CC_NOESY >>676 0.775 1.068 23.986 18.210 17206 CC_NOESY >>677 4.647 4.668 20.625 20.662 106211 CC_NOESY >>678 4.637 2.296 13.295 20.606 -86589 CC_NOESY >>679 4.640 0.983 22.167 20.608 105579 CC_NOESY >>680 2.307 2.327 13.503 13.551 499185 CC_NOESY >>681 2.290 0.986 22.138 13.337 -130904 CC_NOESY >>682 2.292 0.892 18.790 13.337 -99783 CC_NOESY >>683 2.285 3.210 22.825 13.693 19647 CC_NOESY >>684 0.977 1.245 24.631 22.258 35746 CC_NOESY >>685 0.974 4.655 20.552 22.250 27690 CC_NOESY >>686 0.973 2.301 13.295 22.190 -104445 CC_NOESY >>687 0.975 0.868 18.792 22.218 158846 CC_NOESY >>688 0.965 1.714 33.504 22.141 30541 CC_NOESY >>689 0.951 1.516 27.801 21.994 28274 CC_NOESY >>690 0.879 4.169 21.375 18.866 17844 CC_NOESY >>691 0.882 1.890 27.117 18.836 33395 CC_NOESY >>692 0.882 1.631 32.690 18.865 26098 CC_NOESY >>693 1.999 1.888 27.137 14.257 -50850 CC_NOESY >>694 2.008 3.269 22.942 14.162 40820 CC_NOESY >>695 1.864 0.920 33.018 13.663 21645 CC_NOESY >>696 1.865 1.888 27.096 14.174 -79012 CC_NOESY >>697 1.867 3.272 22.987 14.198 58454 CC_NOESY >>698 1.837 1.992 13.938 13.978 213835 CC_NOESY >>699 3.259 1.996 14.177 23.002 42405 CC_NOESY >>700 3.258 1.891 14.115 22.992 41676 CC_NOESY >>701 3.243 1.693 27.220 23.030 -65221 CC_NOESY >>702 3.260 1.889 27.098 22.986 -58396 CC_NOESY >>703 3.253 3.263 22.935 22.978 2877391 CC_NOESY >>704 1.866 0.889 18.753 27.230 22544 CC_NOESY >>705 1.871 1.704 27.121 27.150 113805 CC_NOESY >>706 1.871 3.274 23.010 27.175 -63783 CC_NOESY >>707 1.877 1.894 27.169 27.189 204659 CC_NOESY >>708 4.405 1.023 22.787 21.555 56443 CC_NOESY >>709 4.404 4.414 21.394 21.440 104861 CC_NOESY >>710 2.287 1.398 18.235 32.083 16852 CC_NOESY >>711 2.286 4.425 21.568 32.261 18058 CC_NOESY >>712 2.282 2.293 32.044 32.103 266735 CC_NOESY >>713 2.284 1.032 22.593 32.163 88146 CC_NOESY >>714 2.283 0.948 19.322 32.141 69353 CC_NOESY >>715 1.014 4.234 17.483 22.583 24551 CC_NOESY >>716 1.009 1.375 18.378 22.565 136782 CC_NOESY >>717 1.014 3.877 20.133 22.595 73632 CC_NOESY >>718 1.018 4.001 21.571 22.677 40630 CC_NOESY >>719 1.014 4.411 21.476 22.715 29304 CC_NOESY >>720 1.014 2.293 32.115 22.610 93845 CC_NOESY >>721 0.932 4.412 21.423 19.341 26581 CC_NOESY >>722 2.389 2.402 13.509 13.562 2027663 CC_NOESY >>723 4.519 1.896 30.751 20.333 43767 CC_NOESY >>724 4.527 3.207 22.975 20.453 -41430 CC_NOESY >>725 4.525 1.717 27.318 20.382 44701 CC_NOESY >>726 4.524 4.534 20.423 20.458 170090 CC_NOESY >>727 4.526 1.138 21.708 20.407 120052 CC_NOESY >>728 4.638 4.543 20.333 28.133 44621 CC_NOESY >>729 4.639 4.647 28.160 28.216 76412 CC_NOESY >>730 4.636 1.143 21.718 28.211 185021 CC_NOESY >>731 1.134 1.870 30.756 21.805 21071 CC_NOESY >>732 1.131 3.186 22.959 21.824 -67619 CC_NOESY >>733 1.133 4.540 20.371 21.781 42145 CC_NOESY >>734 1.123 4.646 28.120 21.756 41290 CC_NOESY >>735 1.130 1.141 21.711 21.753 3271074 CC_NOESY >>736 4.580 1.703 28.818 13.733 58128 CC_NOESY >>737 2.175 1.421 24.755 32.487 24597 CC_NOESY >>738 1.660 2.181 32.422 32.434 53577 CC_NOESY >>739 1.709 2.154 32.281 28.827 21239 CC_NOESY >>740 1.532 2.159 32.191 24.683 19429 CC_NOESY >>741 4.933 1.335 18.825 31.422 -40465 CC_NOESY >>742 4.914 1.517 18.452 31.747 -100943 CC_NOESY >>743 1.507 0.823 25.662 18.764 46286 CC_NOESY >>744 1.509 0.484 18.379 18.799 71223 CC_NOESY >>745 1.509 1.522 18.708 18.749 1471269 CC_NOESY >>746 1.502 0.981 23.417 18.552 16346 CC_NOESY >>747 4.880 4.434 21.709 17.969 100780 CC_NOESY >>748 4.857 5.129 13.295 17.518 73551 CC_NOESY >>749 2.248 0.747 18.108 15.551 -82208 CC_NOESY >>750 0.959 4.884 17.745 23.140 18367 CC_NOESY >>751 0.967 0.723 18.015 23.329 144974 CC_NOESY >>752 0.698 1.440 22.213 17.975 -50482 CC_NOESY >>753 0.697 0.822 14.501 18.048 70957 CC_NOESY >>754 0.704 1.514 18.806 18.279 21149 CC_NOESY >>755 0.699 2.258 15.522 18.057 -52994 CC_NOESY >>756 0.697 0.983 23.290 18.041 138670 CC_NOESY >>757 0.698 0.713 18.000 18.040 1361370 CC_NOESY >>758 1.534 0.906 19.003 32.850 18643 CC_NOESY >>759 1.580 0.802 21.719 33.002 53052 CC_NOESY >>760 3.015 0.159 31.308 23.699 21644 CC_NOESY >>761 1.309 1.528 28.526 28.491 30010 CC_NOESY >>762 5.407 5.423 29.001 29.088 98463 CC_NOESY >>763 5.408 1.071 23.953 29.005 -75706 CC_NOESY >>764 1.054 0.755 15.993 23.987 90514 CC_NOESY >>765 1.057 0.739 22.402 23.994 96440 CC_NOESY >>766 1.050 4.157 21.447 24.012 31866 CC_NOESY >>767 1.060 0.810 14.531 23.959 30775 CC_NOESY >>768 1.055 5.424 29.043 23.990 -55755 CC_NOESY >>769 1.521 5.145 13.621 27.963 20583 CC_NOESY >>770 3.250 3.265 20.936 20.996 78613 CC_NOESY >>771 2.991 1.952 23.392 21.311 20326 CC_NOESY >>772 4.239 2.217 30.295 17.193 107735 CC_NOESY >>773 4.242 2.439 15.814 17.132 -77727 CC_NOESY >>774 2.207 4.257 17.105 30.341 55966 CC_NOESY >>775 2.204 2.214 30.327 30.365 564952 CC_NOESY >>776 2.202 2.444 15.816 30.368 -327565 CC_NOESY >>777 2.440 4.250 17.056 15.842 -44765 CC_NOESY >>778 2.436 2.220 30.329 15.852 -354217 CC_NOESY >>779 2.435 2.449 15.873 15.910 1792010 CC_NOESY >>780 4.505 1.997 13.867 13.337 -69590 CC_NOESY >>781 4.502 1.505 24.857 13.337 50576 CC_NOESY >>782 4.495 4.511 13.479 13.500 338097 CC_NOESY >>783 1.993 1.523 24.901 13.832 -74119 CC_NOESY >>784 1.756 1.773 29.117 29.158 2578123 CC_NOESY >>785 3.035 1.512 24.918 21.531 -105203 CC_NOESY >>786 1.505 2.220 30.474 24.963 19105 CC_NOESY >>787 1.524 4.537 13.546 24.997 17039 CC_NOESY >>788 4.343 4.357 31.825 31.839 211518 CC_NOESY >>789 4.336 0.063 23.326 31.689 -52685 CC_NOESY >>790 4.339 3.765 29.529 31.572 41796 CC_NOESY >>791 1.124 1.127 20.615 20.491 61504 CC_NOESY >>792 1.092 0.790 20.755 20.789 25862 CC_NOESY >>793 0.756 0.768 20.847 20.873 3090213 CC_NOESY >>794 -0.101 -0.088 24.563 24.601 1360482 CC_NOESY >>795 -0.104 0.068 23.404 24.593 106043 CC_NOESY >>796 -0.104 0.995 27.186 24.575 38135 CC_NOESY >>797 -0.103 0.504 19.122 24.694 18965 CC_NOESY >>798 0.049 1.136 25.296 23.380 71341 CC_NOESY >>799 0.051 1.038 24.451 23.328 37649 CC_NOESY >>800 0.051 4.343 31.641 23.402 -43700 CC_NOESY >>801 0.050 -0.094 24.552 23.441 123122 CC_NOESY >>802 0.049 0.061 23.376 23.420 2329933 CC_NOESY >>803 0.050 1.008 27.161 23.376 55184 CC_NOESY >>804 0.052 0.534 19.032 23.399 23779 CC_NOESY >>805 0.988 -0.082 24.630 27.174 39432 CC_NOESY >>806 0.990 0.065 23.424 27.209 44987 CC_NOESY >>807 4.519 2.150 32.107 21.105 50347 CC_NOESY >>808 2.107 2.183 27.426 31.989 26541 CC_NOESY >>809 2.105 1.914 27.356 32.117 33654 CC_NOESY >>810 3.722 3.728 29.527 29.570 40594 CC_NOESY >>811 3.249 4.358 31.747 29.602 17717 CC_NOESY >>812 3.241 3.734 29.517 29.623 30742 CC_NOESY >>813 2.175 1.931 27.471 27.505 47050 CC_NOESY >>814 1.911 2.187 27.455 27.523 43673 CC_NOESY >>815 1.905 2.126 32.052 27.514 33375 CC_NOESY >>816 3.834 3.883 25.608 25.721 90403 CC_NOESY >>817 4.240 2.071 28.930 15.494 105909 CC_NOESY >>818 4.239 2.395 13.501 15.624 -82519 CC_NOESY >>819 2.133 4.255 15.682 28.862 35336 CC_NOESY >>820 2.131 2.398 13.511 28.885 -147983 CC_NOESY >>821 2.056 2.396 13.515 28.876 -114509 CC_NOESY >>822 2.392 2.124 28.839 13.561 -220473 CC_NOESY >>823 0.510 -0.100 24.578 19.014 16737 CC_NOESY >>824 3.538 0.527 22.295 15.713 52048 CC_NOESY >>825 3.539 3.557 15.595 15.664 194874 CC_NOESY >>826 3.541 0.548 23.822 15.747 58413 CC_NOESY >>827 1.669 1.683 20.301 20.325 112231 CC_NOESY >>828 1.671 1.373 20.336 20.329 70019 CC_NOESY >>829 1.365 1.684 20.342 20.332 70298 CC_NOESY >>830 1.350 1.366 20.304 20.367 109953 CC_NOESY >>831 0.857 0.527 22.119 25.219 21010 CC_NOESY >>832 0.859 3.790 22.819 25.180 32328 CC_NOESY >>833 0.857 3.558 15.674 25.227 51188 CC_NOESY >>834 0.857 1.685 20.355 25.163 -68622 CC_NOESY >>835 0.857 1.376 20.280 25.173 -57513 CC_NOESY >>836 0.857 0.560 23.738 25.178 217017 CC_NOESY >>837 0.545 4.362 16.375 23.854 36601 CC_NOESY >>838 0.548 3.550 15.606 23.771 49423 CC_NOESY >>839 0.547 0.869 25.152 23.782 187719 CC_NOESY >>840 0.546 0.558 23.738 23.784 1878899 CC_NOESY >>841 0.545 1.523 26.946 23.795 74152 CC_NOESY >>842 1.502 3.509 15.772 27.031 16232 CC_NOESY >>843 1.515 1.678 20.381 27.021 -50470 CC_NOESY >>844 1.521 1.403 20.358 26.937 -40527 CC_NOESY >>845 1.520 0.561 23.722 26.985 48876 CC_NOESY >>846 5.733 5.742 15.907 15.919 122240 CC_NOESY >>847 2.986 2.998 20.189 19.999 297866 CC_NOESY >>848 6.863 0.799 21.534 14.892 -62642 CC_NOESY >>849 6.864 1.030 25.504 14.893 -68506 CC_NOESY >>850 4.996 5.011 17.520 17.558 103372 CC_NOESY >>851 4.996 2.206 14.741 17.402 -46592 CC_NOESY >>852 4.998 0.952 22.950 17.523 84542 CC_NOESY >>853 2.198 0.960 23.026 14.852 -52589 CC_NOESY >>854 2.204 0.538 18.171 14.646 -62140 CC_NOESY >>855 0.931 2.816 31.489 22.895 19160 CC_NOESY >>856 0.942 0.533 18.207 23.004 154932 CC_NOESY >>857 0.519 2.216 14.694 18.267 -61213 CC_NOESY >>858 0.517 0.960 22.970 18.234 173176 CC_NOESY >>859 0.511 0.693 14.082 17.823 60207 CC_NOESY >>860 1.939 2.091 16.601 13.337 31788 CC_NOESY >>861 1.841 2.088 16.644 13.337 26329 CC_NOESY >>862 2.363 2.100 16.546 16.603 97731 CC_NOESY >>863 2.080 2.376 16.488 16.551 104104 CC_NOESY >>864 0.675 0.975 17.707 14.020 51289 CC_NOESY >>865 0.675 2.057 30.706 14.152 18323 CC_NOESY >>866 0.676 0.929 26.577 14.170 38631 CC_NOESY >>867 0.676 0.692 14.038 14.110 1221366 CC_NOESY >>868 0.677 0.853 28.150 14.167 52439 CC_NOESY >>869 0.675 1.538 28.201 14.126 56677 CC_NOESY >>870 0.673 0.813 18.105 14.202 81005 CC_NOESY >>871 0.855 0.700 14.011 28.163 49434 CC_NOESY >>872 0.858 1.559 28.272 28.150 30546 CC_NOESY >>873 1.534 0.691 14.048 28.196 49076 CC_NOESY >>874 1.532 0.867 28.182 28.264 23577 CC_NOESY >>875 1.532 0.774 18.091 28.269 32966 CC_NOESY >>876 0.768 0.842 14.313 18.109 49188 CC_NOESY >>877 0.771 4.980 19.214 18.106 17143 CC_NOESY >>878 0.775 1.830 18.287 18.189 -74216 CC_NOESY >>879 0.774 0.692 14.128 18.150 94961 CC_NOESY >>880 0.776 0.851 28.177 18.185 34694 CC_NOESY >>881 2.138 0.919 21.442 13.599 -86627 CC_NOESY >>882 2.141 0.815 20.571 13.680 -65180 CC_NOESY >>883 0.911 5.179 13.295 21.651 30939 CC_NOESY >>884 0.807 1.688 32.471 20.706 18169 CC_NOESY >>885 4.462 0.800 23.917 13.337 60580 CC_NOESY >>886 1.569 0.874 25.234 21.774 -80539 CC_NOESY >>887 1.572 0.809 23.905 21.698 -65252 CC_NOESY >>888 0.860 1.574 21.714 25.312 -102948 CC_NOESY >>889 0.798 4.453 13.295 23.923 45554 CC_NOESY >>890 0.801 0.813 23.914 23.957 5217535 CC_NOESY >>891 0.811 1.583 27.559 23.951 100650 CC_NOESY >>892 0.797 1.580 21.705 23.970 -71761 CC_NOESY >>893 1.584 0.923 21.452 27.654 28515 CC_NOESY >>894 1.575 0.800 20.473 27.405 42278 CC_NOESY >>895 1.575 1.582 21.734 27.607 -198831 CC_NOESY >>896 1.574 0.825 23.880 27.541 118348 CC_NOESY >>897 4.284 1.931 31.106 15.201 56035 CC_NOESY >>898 4.284 2.172 15.767 15.365 -55600 CC_NOESY >>899 1.986 0.942 21.493 30.969 18259 CC_NOESY >>900 1.963 4.280 15.303 31.224 28809 CC_NOESY >>901 1.958 2.169 15.845 31.123 -182184 CC_NOESY >>902 1.849 4.284 15.246 31.143 28977 CC_NOESY >>903 1.846 2.154 15.820 31.122 -130286 CC_NOESY >>904 1.959 1.949 31.026 31.084 465941 CC_NOESY >>905 2.178 1.953 31.078 15.893 -156819 CC_NOESY >>#* >>#File History: /farm/users/dasnyder/PfR48/AutoStructureRuns/DAS.I.147/4Dnoesy.DAS.I.147.pks >># >>#/farm/software/AutoPeak/bin/create_peak_list.pl - CC_NOESY /farm/users/dasnyder/PfR48/AutoStructureRuns/DAS.I.147/4Dnoesy.DAS.I.147.pks >># >># Removed A66/I8 peaks as this constraint is problematic >># same for I3/L38 peaks >># Removing A66/I8 peaks doesn't really help Rama plot, though, so add them back >># iff they are good >># Remove any bad looking peaks associated with G65, A66 or V67 though >>; >> >>save_ >> ; save_ save_peak_list_2 _Saveframe_category spectral_peak_list _Details . _Experiment_label . _Number_of_spectral_dimensions . _Sample_label $sample_PfR48.NC.RX.7.85 _Sample_conditions_label $Sample_condition_list_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_2 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_2 >> _Spectral_peak_list.Entry_ID 6173 >> _Spectral_peak_list.ID 2 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_PfR48.NC.RX.7.85 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $Sample_condition_list_1 >> _Spectral_peak_list.Experiment_ID . >> _Spectral_peak_list.Experiment_name . >> _Spectral_peak_list.Number_of_spectral_dimensions . >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >>#Index 1Dim 2Dim 3Dim Intensity Workbook >>1 8.753 36.512 2.443 295799 C13NOESY >>2 6.793 44.552 0.946 334978 C13NOESY >>3 8.746 46.845 1.128 298280 C13NOESY >>4 8.820 33.644 5.176 933489 C13NOESY >>5 8.872 38.414 4.670 475714 C13NOESY >>6 8.854 41.172 2.024 549675 C13NOESY >>7 8.840 35.413 0.864 443924 C13NOESY >>8 8.823 48.720 1.438 412308 C13NOESY >>9 8.817 48.659 1.079 404463 C13NOESY >>10 8.862 39.271 0.967 1162029 C13NOESY >>11 8.672 34.217 5.184 1222729 C13NOESY >>12 8.874 35.456 1.839 949212 C13NOESY >>13 8.872 50.918 1.482 325914 C13NOESY >>14 7.275 50.955 1.484 288232 C13NOESY >>15 6.870 50.944 1.479 297791 C13NOESY >>16 8.869 47.180 1.598 448061 C13NOESY >>17 8.870 47.142 1.479 336745 C13NOESY >>18 8.687 47.148 1.478 267245 C13NOESY >>19 8.680 44.997 3.127 541774 C13NOESY >>20 8.180 44.977 3.129 922760 C13NOESY >>21 8.178 45.028 5.143 394321 C13NOESY >>22 8.877 44.981 3.128 374600 C13NOESY >>23 8.183 35.474 1.773 897917 C13NOESY >>24 8.683 35.418 1.782 397432 C13NOESY >>25 9.212 35.436 1.770 261921 C13NOESY >>26 8.183 43.168 0.793 948691 C13NOESY >>27 8.684 43.178 0.791 760214 C13NOESY >>28 7.275 43.157 0.792 753687 C13NOESY >>29 6.873 43.163 0.792 857840 C13NOESY >>30 8.671 42.216 3.771 317066 C13NOESY >>31 9.082 42.209 3.771 1276052 C13NOESY >>32 8.102 53.205 2.289 605056 C13NOESY >>33 8.689 53.201 2.287 1103980 C13NOESY >>34 7.411 43.872 0.524 480111 C13NOESY >>35 8.097 43.879 0.522 254872 C13NOESY >>36 7.337 43.657 0.716 371590 C13NOESY >>37 8.095 43.707 0.720 395149 C13NOESY >>38 8.678 43.717 0.717 1714142 C13NOESY >>39 9.077 34.234 4.396 431783 C13NOESY >>40 7.416 34.265 4.396 433779 C13NOESY >>41 9.086 43.325 1.465 495140 C13NOESY >>42 7.420 43.362 1.470 388647 C13NOESY >>43 9.233 43.844 0.775 646233 C13NOESY >>44 9.221 47.272 0.826 271865 C13NOESY >>45 9.081 48.192 1.619 463465 C13NOESY >>46 9.220 48.241 1.620 270074 C13NOESY >>47 7.415 36.241 4.349 667865 C13NOESY >>48 8.464 36.264 4.348 1665915 C13NOESY >>49 7.420 42.579 3.811 305818 C13NOESY >>50 8.464 42.612 3.815 513473 C13NOESY >>51 8.464 42.591 3.687 260907 C13NOESY >>52 8.473 40.380 2.883 260756 C13NOESY >>53 8.469 40.373 2.721 314598 C13NOESY >>54 6.947 40.344 2.881 667415 C13NOESY >>55 6.952 40.354 2.715 628258 C13NOESY >>56 8.549 33.590 4.440 900222 C13NOESY >>57 8.539 53.045 1.812 444503 C13NOESY >>58 6.937 34.562 4.562 325104 C13NOESY >>59 8.491 34.179 4.577 372553 C13NOESY >>60 8.500 52.742 1.843 492185 C13NOESY >>61 8.518 49.165 1.564 785023 C13NOESY >>62 8.503 43.075 3.866 254885 C13NOESY >>63 8.536 36.456 4.176 359828 C13NOESY >>64 8.533 35.903 4.219 480093 C13NOESY >>65 7.983 35.900 4.217 473936 C13NOESY >>66 7.630 39.037 2.896 422323 C13NOESY >>67 7.631 38.989 2.740 461124 C13NOESY >>68 7.489 33.711 2.191 737429 C13NOESY >>69 7.409 38.490 2.728 411344 C13NOESY >>70 7.415 38.475 2.781 413081 C13NOESY >>71 7.269 38.889 3.138 400673 C13NOESY >>72 7.273 38.860 2.534 356721 C13NOESY >>73 9.091 39.735 5.096 683479 C13NOESY >>74 8.295 33.992 1.958 568610 C13NOESY >>75 9.081 43.121 0.920 644254 C13NOESY >>76 8.273 43.403 0.779 317824 C13NOESY >>77 9.087 43.426 0.778 1049851 C13NOESY >>78 9.566 43.446 0.778 389499 C13NOESY >>79 8.769 53.077 5.074 381153 C13NOESY >>80 7.054 36.682 1.746 301550 C13NOESY >>81 9.101 53.859 2.201 331088 C13NOESY >>82 7.143 53.824 2.079 363698 C13NOESY >>83 7.135 53.825 2.195 320120 C13NOESY >>84 7.032 53.816 2.092 375970 C13NOESY >>85 7.047 53.863 2.200 332402 C13NOESY >>86 7.415 35.938 1.745 338656 C13NOESY >>87 8.762 35.930 1.753 442816 C13NOESY >>88 8.775 53.717 0.125 284557 C13NOESY >>89 9.063 53.690 0.129 542000 C13NOESY >>90 7.680 53.747 0.128 372392 C13NOESY >>91 9.062 39.996 0.486 1153990 C13NOESY >>92 8.745 39.811 0.520 1784444 C13NOESY >>93 9.063 42.793 1.426 656142 C13NOESY >>94 9.070 37.501 0.749 458537 C13NOESY >>95 7.050 37.451 0.748 517338 C13NOESY >>96 9.065 49.803 1.319 431900 C13NOESY >>97 8.182 39.105 0.509 645474 C13NOESY >>98 9.069 39.110 0.510 461610 C13NOESY >>99 9.217 39.110 0.510 953199 C13NOESY >>100 9.220 35.005 1.694 298741 C13NOESY >>101 8.822 35.966 4.099 1990050 C13NOESY >>102 8.866 40.720 1.787 564004 C13NOESY >>103 8.868 40.753 1.607 574398 C13NOESY >>104 8.871 47.029 1.020 686710 C13NOESY >>105 6.869 47.034 1.019 837202 C13NOESY >>106 8.849 44.838 1.007 745341 C13NOESY >>107 8.877 49.768 1.700 974331 C13NOESY >>108 8.817 33.846 4.474 1203418 C13NOESY >>109 7.012 33.843 4.472 384819 C13NOESY >>110 8.818 40.510 2.695 425920 C13NOESY >>111 8.792 40.513 2.970 630528 C13NOESY >>112 7.018 40.906 4.166 537721 C13NOESY >>113 8.808 40.922 4.164 2106008 C13NOESY >>114 7.325 40.870 4.165 306343 C13NOESY >>115 7.018 32.625 1.956 546141 C13NOESY >>116 7.015 43.496 0.979 372880 C13NOESY >>117 7.340 43.485 0.978 879417 C13NOESY >>118 8.138 43.473 0.978 821470 C13NOESY >>119 8.000 43.564 0.979 265070 C13NOESY >>120 7.640 43.596 0.977 486866 C13NOESY >>121 8.816 42.585 0.868 497831 C13NOESY >>122 7.016 42.610 0.867 997158 C13NOESY >>123 8.816 53.278 5.418 553251 C13NOESY >>124 7.337 53.241 5.417 533274 C13NOESY >>125 8.807 41.231 3.106 390966 C13NOESY >>126 8.810 41.212 2.619 492171 C13NOESY >>127 7.882 41.233 3.110 543242 C13NOESY >>128 7.885 41.197 2.618 722558 C13NOESY >>129 7.280 41.229 2.618 453050 C13NOESY >>130 8.685 45.583 4.355 466260 C13NOESY >>131 8.685 45.559 3.944 349988 C13NOESY >>132 9.157 45.594 4.354 315421 C13NOESY >>133 8.690 37.365 4.227 562973 C13NOESY >>134 8.688 52.326 1.927 563574 C13NOESY >>135 8.669 48.794 1.698 543186 C13NOESY >>136 9.164 39.034 4.013 699024 C13NOESY >>137 7.636 39.050 4.011 293750 C13NOESY >>138 8.284 38.998 4.011 317903 C13NOESY >>139 9.163 50.535 2.144 697848 C13NOESY >>140 9.164 50.542 1.955 491287 C13NOESY >>141 7.633 50.551 2.146 479026 C13NOESY >>142 7.636 50.547 1.952 402704 C13NOESY >>143 9.163 37.080 2.280 304633 C13NOESY >>144 7.636 37.052 4.095 835710 C13NOESY >>145 8.136 37.046 4.094 390356 C13NOESY >>146 7.135 37.007 4.100 256166 C13NOESY >>147 7.335 52.520 1.997 280033 C13NOESY >>148 7.635 52.473 2.167 457060 C13NOESY >>149 7.634 52.499 1.999 605438 C13NOESY >>150 8.135 52.504 2.162 318193 C13NOESY >>151 8.136 52.469 2.002 348685 C13NOESY >>152 7.634 36.794 2.411 667783 C13NOESY >>153 7.635 36.810 2.290 740385 C13NOESY >>154 8.137 33.734 3.830 684470 C13NOESY >>155 8.277 33.703 3.832 272384 C13NOESY >>156 7.886 33.750 3.830 263354 C13NOESY >>157 8.137 39.963 1.367 2472301 C13NOESY >>158 8.283 39.956 1.368 1094024 C13NOESY >>159 7.998 39.998 1.371 278940 C13NOESY >>160 7.643 39.949 1.365 326266 C13NOESY >>161 8.283 40.000 3.875 865161 C13NOESY >>162 7.138 39.980 3.875 345588 C13NOESY >>163 6.969 39.940 3.874 268624 C13NOESY >>164 8.283 41.493 4.004 1675946 C13NOESY >>165 7.134 41.491 4.002 415829 C13NOESY >>166 7.136 35.973 4.211 1327350 C13NOESY >>167 6.967 35.960 4.210 311801 C13NOESY >>168 7.134 53.757 2.015 604822 C13NOESY >>169 7.136 32.419 2.017 341168 C13NOESY >>170 7.135 53.765 1.860 782781 C13NOESY >>171 7.135 32.419 1.861 422759 C13NOESY >>172 7.135 50.874 1.720 473790 C13NOESY >>173 7.135 47.092 1.500 671458 C13NOESY >>174 7.136 47.097 1.623 752336 C13NOESY >>175 7.895 53.934 4.143 320360 C13NOESY >>176 7.889 32.602 4.140 584461 C13NOESY >>177 6.972 32.541 4.137 305674 C13NOESY >>178 7.883 42.167 1.578 452605 C13NOESY >>179 7.883 42.160 2.013 621065 C13NOESY >>180 7.888 48.294 0.911 421279 C13NOESY >>181 7.891 44.594 0.736 599291 C13NOESY >>182 7.883 48.761 1.770 678136 C13NOESY >>183 6.970 42.371 3.252 660718 C13NOESY >>184 8.881 42.364 3.251 1993618 C13NOESY >>185 7.942 42.350 3.250 388748 C13NOESY >>186 6.970 36.350 1.872 1892831 C13NOESY >>187 6.968 33.993 0.897 867707 C13NOESY >>188 7.632 33.950 0.900 310198 C13NOESY >>189 8.655 34.004 0.897 1031582 C13NOESY >>190 6.970 50.341 1.103 792352 C13NOESY >>191 6.969 50.359 1.613 1245452 C13NOESY >>192 6.973 39.299 0.891 804085 C13NOESY >>193 7.929 39.314 0.891 252061 C13NOESY >>194 8.884 44.772 4.525 567078 C13NOESY >>195 8.880 44.771 3.612 955776 C13NOESY >>196 7.950 44.767 3.612 297945 C13NOESY >>197 7.956 34.768 4.483 338483 C13NOESY >>198 8.403 34.716 4.481 1021711 C13NOESY >>199 7.950 52.221 2.120 255804 C13NOESY >>200 7.948 52.269 1.887 352590 C13NOESY >>201 8.405 52.268 2.118 319848 C13NOESY >>202 7.951 49.828 1.650 357856 C13NOESY >>203 7.951 49.874 1.726 363432 C13NOESY >>204 8.397 44.106 1.678 721330 C13NOESY >>205 8.400 44.121 1.601 602180 C13NOESY >>206 8.195 46.581 0.891 273335 C13NOESY >>207 8.400 48.967 1.610 554913 C13NOESY >>208 8.205 48.991 1.611 367379 C13NOESY >>209 9.334 37.864 5.047 439374 C13NOESY >>210 8.202 34.392 1.398 630585 C13NOESY >>211 9.341 34.368 1.398 266269 C13NOESY >>212 9.229 34.437 1.396 371767 C13NOESY >>213 6.798 34.426 1.395 356708 C13NOESY >>214 8.200 43.728 0.778 413986 C13NOESY >>215 9.327 43.751 0.778 819761 C13NOESY >>216 6.797 43.744 0.779 1105193 C13NOESY >>217 8.203 44.090 0.712 697849 C13NOESY >>218 9.336 44.096 0.713 506791 C13NOESY >>219 6.796 44.069 0.711 382188 C13NOESY >>220 7.043 44.120 0.708 288342 C13NOESY >>221 9.260 53.623 5.369 2273052 C13NOESY >>222 9.326 44.328 1.857 382553 C13NOESY >>223 9.293 44.348 1.332 369989 C13NOESY >>224 9.330 48.873 1.580 655045 C13NOESY >>225 9.256 45.426 0.859 769178 C13NOESY >>226 8.065 35.571 5.027 512965 C13NOESY >>227 9.261 53.049 2.800 352502 C13NOESY >>228 9.265 53.053 3.183 458417 C13NOESY >>229 7.279 53.027 2.802 270606 C13NOESY >>230 7.228 53.013 2.791 327993 C13NOESY >>231 7.231 53.052 3.187 458817 C13NOESY >>232 8.061 33.524 4.310 417556 C13NOESY >>233 8.219 33.543 4.310 2039782 C13NOESY >>234 9.566 33.553 4.306 371837 C13NOESY >>235 8.066 32.672 1.515 791032 C13NOESY >>236 8.064 32.695 1.311 571674 C13NOESY >>237 8.219 46.032 1.193 337447 C13NOESY >>238 8.202 46.312 1.010 835309 C13NOESY >>239 8.036 46.238 1.212 371070 C13NOESY >>240 6.994 34.980 3.241 401546 C13NOESY >>241 7.355 34.928 3.240 257022 C13NOESY >>242 8.219 34.980 3.240 473975 C13NOESY >>243 7.001 41.965 4.108 320741 C13NOESY >>244 6.822 41.986 4.109 363771 C13NOESY >>245 8.222 41.984 4.106 528828 C13NOESY >>246 8.219 41.986 3.493 815124 C13NOESY >>247 8.202 43.777 4.285 268726 C13NOESY >>248 6.998 51.043 3.860 565802 C13NOESY >>249 7.350 51.076 3.860 396458 C13NOESY >>250 6.993 49.044 2.175 290120 C13NOESY >>251 8.208 36.925 4.414 350703 C13NOESY >>252 8.206 45.047 3.313 1487608 C13NOESY >>253 8.204 45.045 4.360 1189270 C13NOESY >>254 7.260 45.045 3.314 389449 C13NOESY >>255 7.258 45.066 4.354 395205 C13NOESY >>256 7.254 34.347 4.244 869435 C13NOESY >>257 8.716 34.348 4.244 3966310 C13NOESY >>258 7.256 32.904 1.668 774255 C13NOESY >>259 7.257 32.906 1.602 835769 C13NOESY >>260 8.719 32.937 1.666 429576 C13NOESY >>261 8.716 32.874 1.602 349954 C13NOESY >>262 7.254 46.568 1.413 367453 C13NOESY >>263 7.256 46.572 1.316 281183 C13NOESY >>264 8.715 46.550 1.420 301646 C13NOESY >>265 9.562 38.632 4.666 407732 C13NOESY >>266 8.716 38.245 1.871 1486968 C13NOESY >>267 8.219 33.718 0.804 280200 C13NOESY >>268 8.713 49.358 1.085 561944 C13NOESY >>269 8.716 49.379 1.604 910054 C13NOESY >>270 9.258 40.455 0.836 797410 C13NOESY >>271 8.719 40.430 0.837 711142 C13NOESY >>272 9.562 40.459 0.837 1182456 C13NOESY >>273 7.227 44.099 2.186 486291 C13NOESY >>274 9.564 44.096 2.183 424533 C13NOESY >>275 9.558 44.120 1.957 346831 C13NOESY >>276 8.754 44.060 1.960 346755 C13NOESY >>277 7.231 46.867 1.128 1180967 C13NOESY >>278 7.018 46.859 1.133 332102 C13NOESY >>279 6.824 46.868 1.129 1021698 C13NOESY >>280 9.560 46.867 1.130 348073 C13NOESY >>281 7.221 45.957 1.042 490480 C13NOESY >>282 8.743 50.426 1.954 273180 C13NOESY >>283 9.562 50.453 1.956 439824 C13NOESY >>284 8.762 33.864 5.462 395846 C13NOESY >>285 9.228 33.851 5.465 2325802 C13NOESY >>286 8.738 35.393 1.829 761287 C13NOESY >>287 8.752 35.375 1.726 527462 C13NOESY >>288 9.227 35.353 1.826 254037 C13NOESY >>289 9.224 35.328 1.724 300049 C13NOESY >>290 8.756 51.382 1.710 281730 C13NOESY >>291 8.726 46.677 1.324 306033 C13NOESY >>292 8.746 46.839 1.337 334093 C13NOESY >>293 8.757 46.876 1.521 356665 C13NOESY >>294 9.224 43.881 4.344 524188 C13NOESY >>295 9.234 43.896 1.949 407824 C13NOESY >>296 8.022 43.876 4.343 902693 C13NOESY >>297 8.025 43.872 1.947 599804 C13NOESY >>298 7.156 44.021 1.956 496484 C13NOESY >>299 8.023 33.031 5.145 350917 C13NOESY >>300 8.704 33.034 5.148 1153233 C13NOESY >>301 8.022 36.626 1.559 1261191 C13NOESY >>302 8.705 36.634 1.559 682975 C13NOESY >>303 8.705 46.247 1.217 726437 C13NOESY >>304 8.713 41.269 4.147 655951 C13NOESY >>305 8.940 41.289 4.149 1583504 C13NOESY >>306 7.647 41.282 4.149 308497 C13NOESY >>307 7.950 36.206 2.174 503036 C13NOESY >>308 8.705 36.196 2.175 724379 C13NOESY >>309 8.886 36.215 2.172 466052 C13NOESY >>310 8.907 36.045 0.788 258715 C13NOESY >>311 7.944 36.069 0.786 407898 C13NOESY >>312 8.705 36.083 0.787 483846 C13NOESY >>313 8.712 50.592 1.654 729851 C13NOESY >>314 7.944 39.720 0.772 516120 C13NOESY >>315 8.704 39.736 0.770 554430 C13NOESY >>316 7.639 39.749 0.770 732481 C13NOESY >>317 9.053 39.701 0.775 1109604 C13NOESY >>318 8.911 39.749 0.770 1182501 C13NOESY >>319 8.944 34.093 2.299 314207 C13NOESY >>320 7.643 34.082 2.297 258908 C13NOESY >>321 8.936 43.707 0.977 852381 C13NOESY >>322 8.702 43.731 0.976 823587 C13NOESY >>323 8.941 40.358 0.883 2045996 C13NOESY >>324 7.641 40.352 0.882 1216698 C13NOESY >>325 8.698 40.377 0.881 690784 C13NOESY >>326 8.652 33.938 4.666 493657 C13NOESY >>327 7.635 34.799 1.873 253057 C13NOESY >>328 8.655 34.847 1.997 338452 C13NOESY >>329 8.652 41.456 4.408 365362 C13NOESY >>330 8.406 41.427 4.408 1255434 C13NOESY >>331 9.057 41.451 4.409 377694 C13NOESY >>332 8.409 53.738 2.285 752912 C13NOESY >>333 8.412 32.419 2.283 367787 C13NOESY >>334 8.284 44.126 1.022 710942 C13NOESY >>335 8.656 44.124 1.021 1424151 C13NOESY >>336 8.408 44.140 1.022 519036 C13NOESY >>337 8.655 40.904 0.941 2159997 C13NOESY >>338 8.410 40.885 0.941 367124 C13NOESY >>339 8.405 33.988 2.723 325696 C13NOESY >>340 8.415 33.967 2.405 267485 C13NOESY >>341 9.125 32.419 2.185 303653 C13NOESY >>342 9.127 53.934 1.658 387169 C13NOESY >>343 9.127 32.462 1.661 441650 C13NOESY >>344 9.141 46.405 1.535 267100 C13NOESY >>345 9.144 46.352 1.392 254503 C13NOESY >>346 7.990 44.883 4.507 359840 C13NOESY >>347 8.002 44.952 3.137 569621 C13NOESY >>348 7.677 40.340 1.523 1536084 C13NOESY >>349 8.962 40.330 1.523 1384535 C13NOESY >>350 9.054 36.175 2.260 879984 C13NOESY >>351 8.972 44.882 0.971 501463 C13NOESY >>352 9.051 44.838 0.970 628476 C13NOESY >>353 8.398 44.605 0.949 615174 C13NOESY >>354 8.963 39.552 0.698 1420402 C13NOESY >>355 9.566 32.983 5.179 1067506 C13NOESY >>356 9.067 33.007 5.179 442504 C13NOESY >>357 9.062 32.532 1.634 306447 C13NOESY >>358 8.939 49.819 5.407 839958 C13NOESY >>359 9.563 49.836 5.411 308586 C13NOESY >>360 8.703 49.825 5.409 1796234 C13NOESY >>361 9.083 45.578 1.057 316047 C13NOESY >>362 8.020 45.569 1.056 296399 C13NOESY >>363 8.944 45.576 1.056 327495 C13NOESY >>364 8.705 45.563 1.056 996278 C13NOESY >>365 6.818 45.896 1.045 360041 C13NOESY >>366 7.050 45.566 1.055 949504 C13NOESY >>367 9.565 45.603 1.054 1035772 C13NOESY >>368 9.439 33.328 5.168 869841 C13NOESY >>369 8.704 33.552 1.745 502371 C13NOESY >>370 8.701 33.507 1.677 457316 C13NOESY >>371 9.445 41.752 3.272 306151 C13NOESY >>372 9.448 41.793 2.970 330077 C13NOESY >>373 7.143 41.792 3.271 941898 C13NOESY >>374 7.145 41.791 2.970 741637 C13NOESY >>375 8.972 37.036 4.244 284180 C13NOESY >>376 8.130 37.107 4.237 743855 C13NOESY >>377 8.972 51.897 2.209 346563 C13NOESY >>378 8.129 51.925 2.209 439902 C13NOESY >>379 8.977 36.491 2.443 388375 C13NOESY >>380 8.132 36.520 2.438 344629 C13NOESY >>381 8.138 33.198 4.518 1441518 C13NOESY >>382 8.137 34.524 1.997 654728 C13NOESY >>383 8.132 34.534 1.832 769232 C13NOESY >>384 8.132 46.480 1.512 441677 C13NOESY >>385 8.144 45.323 3.733 941998 C13NOESY >>386 7.923 45.321 3.734 955913 C13NOESY >>387 7.923 52.386 4.338 370339 C13NOESY >>388 7.928 41.441 1.094 333083 C13NOESY >>389 7.142 46.116 -0.109 310897 C13NOESY >>390 6.819 44.977 0.052 273547 C13NOESY >>391 7.169 44.952 0.053 482897 C13NOESY >>392 7.918 48.771 0.969 318715 C13NOESY >>393 8.357 40.885 4.525 253741 C13NOESY >>394 8.233 46.430 3.920 272589 C13NOESY >>395 7.901 35.501 4.245 1323061 C13NOESY >>396 8.234 35.486 4.245 486247 C13NOESY >>397 8.223 50.432 2.132 301417 C13NOESY >>398 8.229 50.460 2.063 257809 C13NOESY >>399 8.236 34.258 2.396 338401 C13NOESY >>400 7.609 34.247 2.400 637714 C13NOESY >>401 6.942 34.249 2.397 321873 C13NOESY >>402 7.353 34.227 2.400 345458 C13NOESY >>403 7.905 52.572 4.219 415149 C13NOESY >>404 7.350 52.557 4.219 803257 C13NOESY >>405 7.900 40.701 0.494 627603 C13NOESY >>406 7.345 40.683 0.493 538299 C13NOESY >>407 8.722 35.465 3.548 1463223 C13NOESY >>408 8.104 35.471 3.546 295211 C13NOESY >>409 7.344 41.007 1.674 911446 C13NOESY >>410 7.345 41.012 1.368 649348 C13NOESY >>411 6.577 46.687 0.867 343799 C13NOESY >>412 7.363 46.684 0.869 508189 C13NOESY >>413 8.731 46.704 0.869 396697 C13NOESY >>414 6.946 45.327 0.552 266998 C13NOESY >>415 7.347 45.350 0.557 333440 C13NOESY >>416 8.714 45.327 0.553 257755 C13NOESY >>417 7.344 48.516 1.522 978510 C13NOESY >>418 8.719 45.533 3.478 636643 C13NOESY >>419 8.717 45.542 4.177 717454 C13NOESY >>420 8.094 45.536 4.180 336272 C13NOESY >>421 8.646 53.484 4.712 296185 C13NOESY >>422 8.099 42.281 2.978 1012147 C13NOESY >>423 8.646 42.308 2.976 633384 C13NOESY >>424 7.275 35.744 5.728 649876 C13NOESY >>425 8.755 35.746 5.730 2148530 C13NOESY >>426 8.648 40.574 3.141 634495 C13NOESY >>427 8.650 40.603 2.980 880455 C13NOESY >>428 7.281 40.586 3.142 564379 C13NOESY >>429 7.272 40.590 2.979 619358 C13NOESY >>430 8.748 40.594 3.145 488728 C13NOESY >>431 8.388 37.282 5.007 334279 C13NOESY >>432 8.391 35.333 2.203 968691 C13NOESY >>433 7.330 44.519 0.946 1513753 C13NOESY >>434 8.068 44.575 0.948 292633 C13NOESY >>435 8.743 44.505 0.946 534090 C13NOESY >>436 8.388 39.792 0.521 439357 C13NOESY >>437 9.362 33.556 5.143 859390 C13NOESY >>438 8.394 33.512 1.952 367740 C13NOESY >>439 8.381 33.519 1.843 268499 C13NOESY >>440 9.354 33.522 1.951 298573 C13NOESY >>441 9.351 33.517 1.843 316668 C13NOESY >>442 8.394 37.252 2.373 323956 C13NOESY >>443 9.354 39.121 1.811 509693 C13NOESY >>444 8.858 35.576 0.679 320808 C13NOESY >>445 9.356 35.593 0.682 430719 C13NOESY >>446 9.350 49.675 1.539 388339 C13NOESY >>447 9.354 39.608 0.776 408020 C13NOESY >>448 8.512 40.719 4.377 1239249 C13NOESY >>449 9.040 33.997 2.133 462989 C13NOESY >>450 8.511 43.024 0.921 941784 C13NOESY >>451 8.402 42.138 0.822 319124 C13NOESY >>452 9.048 42.137 0.821 942446 C13NOESY >>453 8.513 42.125 0.819 421543 C13NOESY >>454 8.500 33.181 4.487 773201 C13NOESY >>455 8.511 42.463 1.566 850421 C13NOESY >>456 8.498 46.794 0.869 476339 C13NOESY >>457 8.503 45.574 0.793 416342 C13NOESY >>458 8.508 35.048 4.270 348789 C13NOESY >>459 8.497 52.701 1.957 442172 C13NOESY >>#* >>#File History: /farm/users/dasnyder/PfR48/AutoStructureRuns/DAS.I.147/c13H2Onoesy.DAS.I.147.pks >># >>#/farm/software/AutoPeak/bin/create_peak_list.pl - C13NOESY /farm/users/dasnyder/PfR48/AutoStructureRuns/DAS.I.147/c13H2Onoesy.DAS.I.147.pks >># >># I cannot figure out any peaks to add from comparing QL files >># >># joint between 148 and 148.1 lists >> >>; >> >>save_ >> ; save_ save_peak_list_3 _Saveframe_category spectral_peak_list _Details . _Experiment_label . _Number_of_spectral_dimensions . _Sample_label $sample_PfR48.NC.RX.7.85 _Sample_conditions_label $Sample_condition_list_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_3 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_3 >> _Spectral_peak_list.Entry_ID 6173 >> _Spectral_peak_list.ID 3 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_PfR48.NC.RX.7.85 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $Sample_condition_list_1 >> _Spectral_peak_list.Experiment_ID . >> _Spectral_peak_list.Experiment_name . >> _Spectral_peak_list.Number_of_spectral_dimensions . >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >>#Index 1Dim 2Dim 3Dim Intensity Workbook >>1 3.915 63.560 3.810 2514782 C13NOESY >>2 2.948 33.799 2.090 1960088 C13NOESY >>3 4.096 42.229 2.953 1879012 C13NOESY >>4 4.666 22.489 1.023 1800809 C13NOESY >>5 3.945 34.906 2.095 1793650 C13NOESY >>6 2.075 23.948 0.793 1765638 C13NOESY >>7 4.824 24.631 0.865 1701023 C13NOESY >>8 4.153 25.727 0.822 1658327 C13NOESY >>9 2.995 22.065 0.767 1576955 C13NOESY >>10 2.722 54.620 4.904 1537986 C13NOESY >>11 2.015 13.972 0.781 1533047 C13NOESY >>12 5.360 25.806 0.865 1514569 C13NOESY >>13 4.839 63.737 3.889 1475914 C13NOESY >>14 3.188 22.557 1.025 1448312 C13NOESY >>15 8.888 17.726 0.978 1425343 C13NOESY >>16 3.020 41.205 2.911 1422988 C13NOESY >>17 2.064 25.217 0.864 1409444 C13NOESY >>18 2.727 54.623 4.806 1339655 C13NOESY >>19 1.315 44.555 3.092 1314712 C13NOESY >>20 1.720 37.325 2.366 1311077 C13NOESY >>21 2.535 25.304 0.863 1264490 C13NOESY >>22 8.737 24.300 1.047 1260786 C13NOESY >>23 0.802 27.719 1.731 1198680 C13NOESY >>24 2.136 24.632 1.266 1174457 C13NOESY >>25 5.170 18.403 0.493 1136319 C13NOESY >>26 2.281 57.566 4.891 1118058 C13NOESY >>27 0.815 27.560 1.733 1108392 C13NOESY >>28 4.863 63.988 3.814 1102332 C13NOESY >>29 1.974 54.245 4.748 1095479 C13NOESY >>30 1.856 33.797 2.240 1089768 C13NOESY >>31 2.281 27.284 1.731 1082879 C13NOESY >>32 2.127 34.377 2.323 1080401 C13NOESY >>33 5.010 57.876 4.906 1071954 C13NOESY >>34 1.643 44.392 2.966 1063040 C13NOESY >>35 4.158 22.373 0.768 1058225 C13NOESY >>36 7.002 56.155 4.575 1054510 C13NOESY >>37 0.862 56.289 4.539 1051659 C13NOESY >>38 2.119 43.259 3.311 1051252 C13NOESY >>39 5.037 25.822 0.862 1048129 C13NOESY >>40 5.014 27.318 1.578 1046510 C13NOESY >>41 2.710 54.163 4.902 1046162 C13NOESY >>42 2.986 31.027 2.802 1042783 C13NOESY >>43 0.843 43.328 3.286 1026301 C13NOESY >>44 5.068 32.292 2.110 1026253 C13NOESY >>45 8.133 45.260 3.767 1008906 C13NOESY >>46 2.714 54.132 4.804 1008738 C13NOESY >>47 5.017 57.108 4.174 1006504 C13NOESY >>48 1.462 41.576 1.965 996305 C13NOESY >>49 0.827 23.864 1.011 984402 C13NOESY >>50 9.368 39.301 1.834 980815 C13NOESY >>51 2.071 56.991 4.894 977126 C13NOESY >>52 2.066 57.535 4.891 974223 C13NOESY >>53 3.243 40.513 3.014 969661 C13NOESY >>54 0.958 58.884 4.774 963390 C13NOESY >>55 1.915 43.320 3.071 963139 C13NOESY >>56 5.409 53.215 4.791 2454352 C13NOESY >>57 0.642 32.265 2.196 2127996 C13NOESY >>58 3.085 43.364 1.500 1910226 C13NOESY >>59 2.594 40.142 2.699 1905476 C13NOESY >>60 2.944 55.356 3.805 1856969 C13NOESY >>61 1.039 42.160 3.059 1734932 C13NOESY >>62 0.641 59.391 4.891 1203481 C13NOESY >>63 3.291 56.360 4.478 1196520 C13NOESY >>64 1.273 34.998 2.141 1188806 C13NOESY >>65 1.217 44.627 3.603 1182559 C13NOESY >>66 3.503 56.623 3.267 987356 C13NOESY >>67 3.996 60.602 4.927 971916 C13NOESY >>68 4.542 56.244 4.549 377664384 C13NOESY >>69 3.056 30.611 3.098 125346912 C13NOESY >>70 0.902 12.484 0.828 70951896 C13NOESY >>71 0.896 12.490 0.932 47130932 C13NOESY >>72 3.641 43.720 3.199 10420423 C13NOESY >>73 3.089 44.470 3.000 8815146 C13NOESY >>74 4.265 56.671 4.904 7742086 C13NOESY >>75 1.215 24.640 1.563 6648018 C13NOESY >>76 3.083 43.257 3.300 6344636 C13NOESY >>77 3.295 43.246 3.083 5856538 C13NOESY >>78 2.914 41.751 2.053 4220810 C13NOESY >>79 2.916 63.364 3.786 3901030 C13NOESY >>80 3.870 53.009 3.946 3632491 C13NOESY >>81 3.111 27.625 1.735 3336590 C13NOESY >>82 1.555 22.590 0.717 3172849 C13NOESY >>83 0.505 17.872 0.697 2995930 C13NOESY >>84 1.262 24.604 1.478 2975294 C13NOESY >>85 2.054 34.879 2.095 46649968 C13NOESY >>86 0.866 13.956 0.788 39286720 C13NOESY >>87 2.980 56.255 4.547 27837966 C13NOESY >>88 3.792 46.924 3.883 24066224 C13NOESY >>89 0.677 14.057 0.767 19365214 C13NOESY >>90 4.140 57.428 4.146 15795844 C13NOESY >>91 2.239 33.765 2.245 14869084 C13NOESY >>92 0.733 23.020 0.951 14758128 C13NOESY >>93 2.731 55.048 3.798 11129329 C13NOESY >>94 2.071 38.677 2.498 11008298 C13NOESY >>95 1.019 25.480 1.089 8667990 C13NOESY >>96 3.551 43.721 3.105 8153820 C13NOESY >>97 1.857 25.772 0.860 7722625 C13NOESY >>98 1.306 24.984 1.662 6737292 C13NOESY >>99 1.402 24.999 1.664 6216917 C13NOESY >>100 3.051 63.783 3.921 6058102 C13NOESY >>101 2.860 41.575 1.996 5891088 C13NOESY >>102 2.904 41.484 2.998 4972882 C13NOESY >>103 2.194 22.212 0.790 4923144 C13NOESY >>104 4.396 30.706 3.168 4685396 C13NOESY >>105 4.398 30.720 3.043 4194452 C13NOESY >>106 2.699 39.639 1.838 4050081 C13NOESY >>107 1.080 12.435 0.825 3862298 C13NOESY >>108 0.864 25.130 1.295 3829661 C13NOESY >>109 4.848 56.267 4.549 3523679 C13NOESY >>110 3.148 65.088 4.015 2941742 C13NOESY >>111 0.781 35.388 2.206 2903004 C13NOESY >>112 0.767 45.462 4.164 2748123 C13NOESY >>113 4.395 57.499 3.545 2702499 C13NOESY >>114 0.769 58.859 5.002 1700499 C13NOESY >>115 8.740 38.217 1.892 1415299 C13NOESY >>116 8.713 36.377 2.189 1363785 C13NOESY >>117 0.867 33.617 1.838 1274634 C13NOESY >>118 0.817 55.977 4.255 1270299 C13NOESY >>119 5.033 32.551 1.746 1174204 C13NOESY >>120 8.755 57.146 3.559 1089222 C13NOESY >>121 5.124 28.154 1.705 1068225 C13NOESY >>122 4.553 59.088 4.220 1019204 C13NOESY >>123 8.561 42.527 1.567 994199 C13NOESY >>124 8.676 31.606 2.272 987001 C13NOESY >>125 0.518 32.225 2.194 1581744 C13NOESY >>126 6.866 23.216 1.009 3663523 C13NOESY >>127 1.593 44.705 3.615 1459816 C13NOESY >>128 5.462 24.798 1.006 1287798 C13NOESY >>129 4.848 61.724 4.532 1188868 C13NOESY >>130 2.154 61.528 4.535 1192668 C13NOESY >>131 4.840 69.344 4.651 1163060 C13NOESY >>132 1.532 37.271 2.358 1004896 C13NOESY >>133 2.139 25.001 0.885 2313249 C13NOESY >>134 0.816 24.199 0.806 85612016 C13NOESY >>135 8.811 55.206 5.165 1348967 C13NOESY >>136 4.415 55.214 5.164 2003580 C13NOESY >>137 0.909 54.980 5.168 3539362 C13NOESY >>138 1.717 55.088 5.167 6196454 C13NOESY >>139 5.159 55.045 5.162 30986486 C13NOESY >>140 5.152 32.770 1.721 1438798 C13NOESY >>141 1.726 32.659 1.744 11552766 C13NOESY >>142 1.535 32.666 1.735 3951679 C13NOESY >>143 2.166 43.514 3.154 1238470 C13NOESY >>144 0.880 43.620 3.117 2399910 C13NOESY >>145 0.832 43.645 3.113 2744076 C13NOESY >>146 1.493 43.421 3.122 10621822 C13NOESY >>147 5.168 27.703 1.534 1955746 C13NOESY >>148 3.103 27.209 1.498 5392685 C13NOESY >>149 1.496 27.164 1.503 62772472 C13NOESY >>150 1.728 27.670 1.536 17596704 C13NOESY >>151 2.009 59.963 4.671 3528688 C13NOESY >>152 1.475 60.042 4.664 1602936 C13NOESY >>153 0.971 60.013 4.668 4905895 C13NOESY >>154 8.871 60.009 4.666 2558316 C13NOESY >>155 4.661 60.048 4.666 39334584 C13NOESY >>156 1.079 60.123 4.663 3549615 C13NOESY >>157 4.670 41.314 2.022 2178504 C13NOESY >>158 4.666 41.456 2.001 1536926 C13NOESY >>159 2.011 41.316 2.012 7584041 C13NOESY >>160 1.443 41.351 2.014 1605974 C13NOESY >>161 1.067 41.349 2.025 1112630 C13NOESY >>162 0.964 41.314 2.019 3828007 C13NOESY >>163 0.864 41.323 2.011 2999618 C13NOESY >>164 2.025 13.913 0.871 2548520 C13NOESY >>165 0.868 13.955 0.853 53192848 C13NOESY >>166 1.443 13.929 0.864 4051372 C13NOESY >>167 1.078 13.947 0.866 4632688 C13NOESY >>168 0.955 13.936 0.858 5032172 C13NOESY >>169 1.811 13.896 0.864 1253236 C13NOESY >>170 0.685 14.013 0.867 4131019 C13NOESY >>171 1.989 27.218 1.455 1858765 C13NOESY >>172 2.029 27.061 1.078 1327501 C13NOESY >>173 0.867 27.152 1.451 7157442 C13NOESY >>174 0.865 27.175 1.089 4430287 C13NOESY >>175 1.448 27.180 1.090 7971209 C13NOESY >>176 1.080 27.166 1.450 8542416 C13NOESY >>177 1.102 27.169 1.084 3608227 C13NOESY >>178 0.971 27.141 1.451 2742802 C13NOESY >>179 0.970 27.143 1.092 2369114 C13NOESY >>180 1.810 27.071 1.082 1450480 C13NOESY >>181 0.679 27.081 1.450 1138856 C13NOESY >>182 1.449 27.079 1.470 9335337 C13NOESY >>183 4.665 17.680 0.972 6219322 C13NOESY >>184 1.452 17.692 0.975 3727751 C13NOESY >>185 0.970 17.694 0.974 215175792 C13NOESY >>186 8.869 17.632 0.969 1162378 C13NOESY >>187 5.171 17.685 0.964 1156676 C13NOESY >>188 1.844 17.685 0.978 2801428 C13NOESY >>189 0.677 17.732 0.974 2732488 C13NOESY >>190 1.539 17.694 0.967 1769600 C13NOESY >>191 2.008 17.691 0.972 9144751 C13NOESY >># 192 0.760 18.018 0.967 2678461 bad contact / bad in spectrum >>193 1.004 55.895 5.166 964692 C13NOESY >>194 5.176 55.795 5.180 24265320 C13NOESY >>195 1.601 55.824 5.177 1701401 C13NOESY >>196 1.473 55.799 5.176 3406901 C13NOESY >>197 8.673 55.840 5.181 2144648 C13NOESY >>198 9.355 55.775 5.177 679761 C13NOESY >>199 1.849 55.793 5.176 5826367 C13NOESY >>200 8.884 35.479 1.877 1215049 C13NOESY >>201 5.172 35.455 1.868 3530302 C13NOESY >>202 1.841 35.452 1.875 20604176 C13NOESY >>203 1.015 35.454 1.845 4312158 C13NOESY >>204 1.598 35.466 1.860 4045030 C13NOESY >>205 1.481 35.452 1.874 5680698 C13NOESY >>206 1.489 35.416 1.838 6725786 C13NOESY >>207 1.843 35.402 1.834 26204402 C13NOESY >>208 5.166 29.295 1.481 2351287 C13NOESY >>209 1.858 29.259 1.484 5752486 C13NOESY >>210 1.596 29.252 1.482 11296200 C13NOESY >>211 2.695 29.255 1.484 8004833 C13NOESY >>212 1.479 29.252 1.485 168702128 C13NOESY >>213 1.019 29.257 1.487 3501928 C13NOESY >>214 1.853 41.632 2.703 2491542 C13NOESY >>215 1.597 41.671 2.700 4215682 C13NOESY >>216 2.699 41.652 2.704 285847776 C13NOESY >>217 1.017 41.668 2.700 2542931 C13NOESY >>218 7.253 41.618 2.700 1193948 C13NOESY >>219 5.164 41.631 2.702 1306492 C13NOESY >>220 1.480 41.647 2.703 13215569 C13NOESY >>221 2.700 25.594 1.607 2891674 C13NOESY >>222 2.699 25.571 1.484 1950110 C13NOESY >>223 1.856 25.512 1.491 6146884 C13NOESY >>224 1.602 25.565 1.609 38041584 C13NOESY >>225 1.607 25.547 1.487 29016858 C13NOESY >>226 1.846 25.566 1.610 6958696 C13NOESY >>227 5.164 25.579 1.605 2170533 C13NOESY >>228 5.167 25.582 1.483 2647886 C13NOESY >>229 1.483 25.562 1.608 39424968 C13NOESY >>230 1.448 25.733 1.468 16127546 C13NOESY >>231 3.121 44.904 5.151 4642543 C13NOESY >>232 5.159 44.880 3.124 5434019 C13NOESY >>233 5.166 44.910 5.146 1443146 C13NOESY >>234 0.774 45.018 3.148 1241203 C13NOESY >>235 0.511 44.907 3.130 3198367 C13NOESY >>236 0.512 44.924 5.154 1814989 C13NOESY >>237 4.821 44.873 3.128 2940652 C13NOESY >>238 4.817 44.890 5.151 2026342 C13NOESY >>239 1.640 44.561 3.093 1384917 C13NOESY >>240 0.683 44.911 3.114 1168172 C13NOESY >>241 1.544 44.462 3.092 1733318 C13NOESY >>242 4.932 60.003 4.939 15713694 C13NOESY >>243 1.764 60.048 4.942 1819036 C13NOESY >>244 0.776 60.026 4.943 5742192 C13NOESY >>245 8.681 60.009 4.940 1242425 C13NOESY >>246 5.738 59.999 4.940 2810715 C13NOESY >>247 0.520 60.001 4.937 960065 C13NOESY >>248 4.933 35.557 1.768 2924806 C13NOESY >>249 1.766 35.540 1.770 34168964 C13NOESY >>250 0.773 35.542 1.771 14213792 C13NOESY >>251 2.136 35.515 1.771 1169448 C13NOESY >>252 1.005 35.608 1.780 1545354 C13NOESY >>253 8.177 21.586 0.795 1168097 C13NOESY >>254 4.935 21.594 0.793 6972566 C13NOESY >>255 1.010 21.602 0.792 14102314 C13NOESY >>256 5.745 21.582 0.792 2021713 C13NOESY >>257 7.276 21.615 0.793 2951390 C13NOESY >>258 6.867 21.574 0.793 4899762 C13NOESY >>259 1.764 21.635 0.792 13325428 C13NOESY >>260 0.784 21.640 0.791 394433792 C13NOESY >>261 3.754 63.829 3.758 13621551 C13NOESY >>262 2.287 63.810 3.758 1394596 C13NOESY >>263 0.519 63.824 3.756 5029674 C13NOESY >>264 0.734 63.809 3.757 5095595 C13NOESY >>265 9.084 63.822 3.770 1159834 C13NOESY >>266 4.867 63.817 3.759 2650529 C13NOESY >>267 0.943 63.914 3.756 1141870 C13NOESY >>268 8.682 31.650 2.296 1060440 C13NOESY >>269 0.522 31.563 2.290 4931570 C13NOESY >>270 0.730 31.610 2.292 4966187 C13NOESY >>271 3.551 31.613 2.287 1684979 C13NOESY >>272 8.114 31.509 2.281 1034942 C13NOESY >>273 3.752 22.211 0.525 3728992 C13NOESY >>274 2.283 22.239 0.529 5670754 C13NOESY >>275 0.524 22.237 0.529 73548768 C13NOESY >>276 0.726 22.237 0.527 8487975 C13NOESY >>277 3.548 22.293 0.526 2594496 C13NOESY >>278 3.754 22.161 0.730 4225454 C13NOESY >>279 2.284 22.181 0.729 7163898 C13NOESY >>280 0.521 22.190 0.730 15294307 C13NOESY >>281 0.949 22.208 0.728 7613082 C13NOESY >>282 7.334 22.125 0.726 1024407 C13NOESY >>283 2.970 22.143 0.733 2589533 C13NOESY >>284 8.694 22.394 0.717 1640758 C13NOESY >>285 4.393 55.838 4.377 10615408 C13NOESY >>286 4.378 55.826 4.420 4715952 C13NOESY >>287 0.762 55.810 4.397 9247579 C13NOESY >>288 1.628 55.767 4.400 1864827 C13NOESY >>289 1.474 55.807 4.394 4128564 C13NOESY >>290 4.389 43.257 1.489 1822672 C13NOESY >>291 0.806 43.311 1.488 2577033 C13NOESY >>292 1.628 43.203 1.455 1390633 C13NOESY >>293 0.481 43.291 1.490 1355510 C13NOESY >>294 4.394 22.394 0.764 15354194 C13NOESY >>295 0.519 22.215 0.785 9984376 C13NOESY >>296 4.891 22.454 0.763 982081 C13NOESY >>297 2.143 22.388 0.766 2774742 C13NOESY >>298 1.632 22.390 0.764 10761888 C13NOESY >>299 1.484 22.389 0.763 9606378 C13NOESY >>300 9.216 22.340 0.764 1059992 C13NOESY >>301 0.769 22.237 0.775 157192384 C13NOESY >>302 4.390 25.696 0.821 1819202 C13NOESY >>303 0.819 25.709 0.824 97709952 C13NOESY >>304 0.851 25.773 0.856 151160000 C13NOESY >>305 0.479 25.689 0.821 6236293 C13NOESY >>306 1.324 25.788 0.861 6200942 C13NOESY >>307 2.137 25.680 0.823 1848527 C13NOESY >>308 1.646 25.709 0.820 7454948 C13NOESY >>309 1.495 25.712 0.820 11868604 C13NOESY >>310 3.749 26.562 1.638 1019571 C13NOESY >>311 0.765 26.623 1.630 3917634 C13NOESY >>312 1.444 26.624 1.638 1569021 C13NOESY >>313 4.340 57.806 4.344 33931252 C13NOESY >>314 3.804 57.811 4.344 6300288 C13NOESY >>315 3.681 57.809 4.344 4670522 C13NOESY >>316 8.471 57.842 4.348 1518582 C13NOESY >>317 0.862 57.822 4.342 3370621 C13NOESY >>318 0.548 57.808 4.344 4670820 C13NOESY >>319 0.859 64.125 3.807 1609585 C13NOESY >>320 0.861 64.075 3.681 1206746 C13NOESY >>321 4.343 64.115 3.806 5487484 C13NOESY >>322 4.342 64.128 3.684 3749492 C13NOESY >>323 3.807 64.131 3.815 18704944 C13NOESY >>324 3.806 64.116 3.682 13764559 C13NOESY >>325 3.678 64.132 3.808 16801842 C13NOESY >>326 3.681 64.106 3.686 15660379 C13NOESY >>327 1.741 64.081 3.803 1430009 C13NOESY >>328 1.749 64.079 3.682 1273239 C13NOESY >>329 2.882 57.148 5.084 2137504 C13NOESY >>330 2.717 57.160 5.081 2006208 C13NOESY >>331 6.943 57.170 5.084 2159823 C13NOESY >>332 5.076 57.165 5.081 12170296 C13NOESY >>333 5.080 40.352 2.881 1334970 C13NOESY >>334 5.094 40.450 2.690 985176 C13NOESY >>335 5.081 40.348 2.722 1446510 C13NOESY >>336 2.871 40.378 2.709 3961336 C13NOESY >>337 2.708 40.388 2.883 4277196 C13NOESY >>338 6.939 40.377 2.880 1778646 C13NOESY >>339 6.933 40.424 2.702 1462959 C13NOESY >>340 1.803 55.214 4.446 3850176 C13NOESY >>341 3.087 55.241 4.448 2084658 C13NOESY >>342 4.454 55.382 4.456 46275760 C13NOESY >>343 8.553 55.272 4.446 1383743 C13NOESY >>344 1.485 55.203 4.447 7319418 C13NOESY >>345 4.442 31.589 1.810 2125174 C13NOESY >>346 4.450 31.640 1.464 1468728 C13NOESY >>347 1.799 31.602 1.465 5172616 C13NOESY >>348 1.939 31.570 1.466 1210420 C13NOESY >>349 1.474 31.603 1.812 10894317 C13NOESY >>350 1.819 31.262 1.826 17693802 C13NOESY >>351 3.141 31.347 1.816 3243884 C13NOESY >>352 4.457 43.316 3.070 3120545 C13NOESY >>353 4.454 43.346 3.111 2049958 C13NOESY >>354 1.797 43.366 3.077 2185576 C13NOESY >>355 1.953 43.643 3.087 1328434 C13NOESY >>356 0.773 43.315 3.073 2751524 C13NOESY >>357 1.492 43.352 3.067 8889932 C13NOESY >>358 4.447 27.199 1.504 3399850 C13NOESY >>359 1.805 27.199 1.502 6034746 C13NOESY >>360 1.948 27.187 1.498 1686436 C13NOESY >>361 4.570 56.123 4.573 578127488 C13NOESY >>362 1.810 55.779 4.591 3839457 C13NOESY >>363 1.600 55.721 4.591 4039369 C13NOESY >>364 4.842 55.720 4.590 1786822 C13NOESY >>365 6.871 56.246 4.546 3677548 C13NOESY >>366 4.506 55.502 4.589 1742086 C13NOESY >>367 4.593 31.325 1.820 2721528 C13NOESY >>368 4.596 31.318 1.740 2295435 C13NOESY >>369 1.815 31.288 1.738 12587100 C13NOESY >>370 1.748 31.303 1.824 13475873 C13NOESY >>371 3.146 31.279 1.741 2923919 C13NOESY >>372 1.602 31.282 1.821 8731782 C13NOESY >>373 1.599 31.286 1.748 6988474 C13NOESY >>374 4.577 43.518 3.149 2521119 C13NOESY >>375 1.602 43.468 3.150 18820834 C13NOESY >>376 3.143 43.485 3.149 353192928 C13NOESY >>377 1.718 43.586 3.153 16610068 C13NOESY >>378 1.812 43.509 3.150 10364208 C13NOESY >>379 4.585 27.307 1.604 3777591 C13NOESY >>380 1.810 27.300 1.603 11589528 C13NOESY >>381 1.717 27.330 1.605 12227781 C13NOESY >>382 3.145 27.293 1.603 11132832 C13NOESY >>383 1.598 27.355 1.603 138165440 C13NOESY >>384 4.530 57.772 4.532 34001772 C13NOESY >>385 3.997 57.768 4.534 5708386 C13NOESY >>386 3.870 57.775 4.534 5550192 C13NOESY >>387 4.848 57.760 4.535 2080041 C13NOESY >>388 4.531 64.561 4.005 4366682 C13NOESY >>389 4.534 64.560 3.867 4742416 C13NOESY >>390 3.999 64.562 4.005 15685318 C13NOESY >>391 4.000 64.566 3.867 18176436 C13NOESY >>392 3.867 64.574 4.004 17568146 C13NOESY >>393 3.865 64.556 3.866 22569906 C13NOESY >>394 4.844 64.592 4.008 1218857 C13NOESY >>395 4.843 64.545 3.862 1606381 C13NOESY >>396 4.171 58.011 4.174 101999752 C13NOESY >>397 1.842 58.015 4.173 14994249 C13NOESY >>398 1.698 57.972 4.173 2454251 C13NOESY >>399 1.461 58.011 4.174 6258999 C13NOESY >>400 4.172 32.677 1.848 8976398 C13NOESY >>401 1.842 32.683 1.848 103487576 C13NOESY >>402 1.695 32.744 1.849 4460476 C13NOESY >>403 3.006 32.777 1.839 1151622 C13NOESY >>404 1.461 32.692 1.848 9237040 C13NOESY >>405 2.996 29.113 1.699 14828149 C13NOESY >>406 4.188 29.168 1.710 4164801 C13NOESY >>407 1.857 29.159 1.711 4866484 C13NOESY >>408 1.470 29.145 1.702 31707094 C13NOESY >>409 1.700 29.136 1.703 422624032 C13NOESY >>410 1.845 41.988 2.998 2721059 C13NOESY >>411 2.996 42.065 2.999 2067085056 C13NOESY >>412 1.437 42.039 3.002 11910499 C13NOESY >>413 1.679 42.079 2.999 48785636 C13NOESY >>414 4.174 25.003 1.468 3702078 C13NOESY >>415 1.694 25.023 1.463 18406684 C13NOESY >>416 1.827 24.963 1.474 11992097 C13NOESY >>417 3.040 24.877 1.492 4446512 C13NOESY >>418 1.467 24.966 1.469 183243008 C13NOESY >>419 2.267 57.491 4.213 7655314 C13NOESY >>420 4.207 57.498 4.211 143432688 C13NOESY >>421 2.049 57.498 4.210 11336424 C13NOESY >>422 4.207 29.680 2.067 4652295 C13NOESY >>423 4.212 29.691 1.961 3866068 C13NOESY >>424 2.058 29.725 2.057 20310586 C13NOESY >>425 2.062 29.682 1.959 23513890 C13NOESY >>426 1.954 29.693 2.066 26314782 C13NOESY >>427 1.957 29.703 1.959 14699450 C13NOESY >>428 2.265 29.700 2.067 10810178 C13NOESY >>429 2.266 29.702 1.961 9403988 C13NOESY >>430 1.852 36.499 2.269 1329263 C13NOESY >>431 4.206 36.479 2.272 5133776 C13NOESY >>432 2.063 36.497 2.280 15710322 C13NOESY >>433 1.954 36.500 2.276 9216934 C13NOESY >>434 2.271 36.475 2.273 182074512 C13NOESY >>435 2.895 53.273 4.687 5620124 C13NOESY >>436 2.725 53.258 4.686 5128463 C13NOESY >>437 4.688 53.297 4.693 62658488 C13NOESY >>438 4.682 39.022 2.889 4213662 C13NOESY >>439 4.684 39.013 2.730 4406847 C13NOESY >>440 2.890 39.013 2.891 24804998 C13NOESY >>441 2.886 39.016 2.732 23031944 C13NOESY >>442 2.727 39.022 2.891 22203744 C13NOESY >>443 2.727 38.994 2.746 10072364 C13NOESY >>444 7.624 39.101 2.897 978510 C13NOESY >>445 1.999 56.629 4.252 7088688 C13NOESY >>446 3.148 56.475 4.256 1450076 C13NOESY >>447 1.850 56.618 4.255 7422508 C13NOESY >>448 2.169 56.641 4.253 7320247 C13NOESY >>449 4.254 56.664 4.259 94501288 C13NOESY >>450 4.255 29.046 1.853 3796748 C13NOESY >>451 1.844 29.003 2.173 2492743 C13NOESY >>452 1.845 29.028 1.853 17808996 C13NOESY >>453 2.007 29.022 1.853 18720014 C13NOESY >>454 2.170 29.004 1.854 10745658 C13NOESY >>455 4.249 33.686 2.177 6829812 C13NOESY >>456 1.851 33.679 2.177 15290012 C13NOESY >>457 2.008 33.669 2.177 18875244 C13NOESY >>458 2.175 33.651 2.015 1546108 C13NOESY >>459 2.173 33.673 2.177 260612944 C13NOESY >>460 3.178 55.880 4.683 5481918 C13NOESY >>461 3.053 55.873 4.683 4049743 C13NOESY >>462 4.675 55.745 4.679 51533392 C13NOESY >>463 4.684 30.914 3.183 2958470 C13NOESY >>464 4.676 30.920 3.052 2818110 C13NOESY >>465 3.164 30.708 3.166 140262352 C13NOESY >>466 3.146 30.672 3.043 104086032 C13NOESY >>467 3.038 30.703 3.167 95739344 C13NOESY >>468 3.041 30.702 3.041 263801344 C13NOESY >>469 4.847 30.882 3.026 1238632 C13NOESY >>470 3.018 53.215 4.855 1234165 C13NOESY >>471 4.820 53.106 4.796 1389955 C13NOESY >>472 4.819 38.448 2.732 3275003 C13NOESY >>473 4.827 38.473 2.809 1501496 C13NOESY >>474 2.748 38.485 2.771 16154721 C13NOESY >>475 2.779 38.483 2.731 12263899 C13NOESY >>476 5.091 53.103 4.787 1112249 C13NOESY >>477 4.833 38.864 3.144 1919302 C13NOESY >>478 4.830 38.863 2.504 2040909 C13NOESY >>479 3.139 38.843 2.513 5239444 C13NOESY >>480 2.510 38.838 3.140 5368860 C13NOESY >>481 2.514 38.859 2.500 2546937 C13NOESY >>482 5.101 61.219 5.102 18952050 C13NOESY >>483 1.956 61.230 5.103 1562737 C13NOESY >>484 0.916 61.254 5.100 4409260 C13NOESY >>485 0.775 61.170 5.104 3518307 C13NOESY >>486 9.097 61.239 5.103 1413202 C13NOESY >>487 1.484 34.067 1.954 1320250 C13NOESY >>488 0.916 34.124 1.954 4003354 C13NOESY >>489 0.773 34.125 1.956 4477498 C13NOESY >>490 1.948 34.048 1.952 6380888 C13NOESY >>491 4.842 21.550 0.919 2678612 C13NOESY >>492 8.297 21.596 0.923 1025077 C13NOESY >>493 5.112 21.572 0.921 9634634 C13NOESY >>494 1.625 21.550 0.920 5923575 C13NOESY >>495 1.834 21.526 0.919 2970064 C13NOESY >>496 1.948 21.577 0.920 12787043 C13NOESY >>497 0.914 21.516 0.919 455791552 C13NOESY >>498 0.799 21.524 0.919 35796192 C13NOESY >>499 1.518 21.559 0.919 5818052 C13NOESY >>500 1.702 21.507 0.918 5882641 C13NOESY >>501 1.947 21.834 0.777 9346506 C13NOESY >>502 0.908 21.851 0.777 13991293 C13NOESY >>503 9.103 21.804 0.778 1166809 C13NOESY >>504 0.130 21.829 0.778 3111368 C13NOESY >>505 1.320 21.909 0.780 1611075 C13NOESY >>506 1.671 21.799 0.782 2146482 C13NOESY >>507 1.506 21.835 0.778 7372190 C13NOESY >>508 5.105 21.843 0.777 6399361 C13NOESY >>509 1.066 22.237 0.790 2511629 C13NOESY >>510 3.023 21.820 0.777 2475365 C13NOESY >>511 3.115 21.573 0.789 1091184 C13NOESY >>512 1.855 53.074 5.065 1237188 C13NOESY >>513 1.749 53.092 5.066 1295127 C13NOESY >>514 5.069 53.052 5.067 8370752 C13NOESY >>515 1.868 36.754 1.746 1834777 C13NOESY >>516 1.742 36.782 1.868 1801455 C13NOESY >>517 2.074 36.861 1.762 984404 C13NOESY >>518 0.756 36.655 1.865 983363 C13NOESY >>519 1.872 36.375 1.874 18200720 C13NOESY >>520 5.073 36.692 1.870 997410 C13NOESY >>521 5.081 36.779 1.739 1117594 C13NOESY >>522 5.068 32.196 2.072 1403087 C13NOESY >>523 5.090 32.238 2.205 1416533 C13NOESY >>524 1.867 32.135 2.200 1570194 C13NOESY >>525 1.739 32.209 2.081 2342456 C13NOESY >>526 2.081 32.443 2.198 4607602 C13NOESY >>527 2.083 32.248 2.196 7509748 C13NOESY >>528 0.747 32.215 2.081 1629831 C13NOESY >>529 0.737 32.233 2.198 1357539 C13NOESY >>530 1.059 32.287 2.069 976782 C13NOESY >>531 2.181 32.256 2.186 5964696 C13NOESY >>532 1.887 32.100 2.086 3515497 C13NOESY >>533 2.099 32.056 2.113 7325914 C13NOESY >>534 2.176 32.140 2.088 10533040 C13NOESY >>535 2.193 58.882 4.782 1100183 C13NOESY >>536 4.751 59.122 4.751 8678442 C13NOESY >>537 0.129 59.126 4.747 1925293 C13NOESY >>538 0.757 59.145 4.749 1163320 C13NOESY >>539 0.475 59.132 4.748 2319970 C13NOESY >>540 9.056 59.208 4.748 1920073 C13NOESY >>541 0.944 58.889 4.745 1329122 C13NOESY >>542 5.179 59.170 4.749 1252816 C13NOESY >>543 4.739 35.984 1.761 1017397 C13NOESY >>544 0.132 35.996 1.752 1313664 C13NOESY >>545 0.483 35.969 1.752 3252783 C13NOESY >>546 0.814 10.329 0.127 1023809 C13NOESY >>547 0.851 10.543 0.103 1714809 C13NOESY >>548 1.497 10.466 0.112 1088414 C13NOESY >>549 0.777 10.516 0.114 1698410 C13NOESY >>550 1.750 27.414 0.851 1665969 C13NOESY >>551 0.128 27.337 0.858 2809206 C13NOESY >>552 0.133 27.387 0.768 2776934 C13NOESY >>553 0.465 27.358 0.878 1660396 C13NOESY >>554 0.865 27.387 0.758 2612477 C13NOESY >>555 0.732 27.385 0.861 1698630 C13NOESY >>556 1.635 18.436 0.482 2223573 C13NOESY >>557 4.754 18.429 0.480 4706270 C13NOESY >>558 1.745 18.436 0.481 6828454 C13NOESY >>559 0.129 18.415 0.481 6633648 C13NOESY >>560 0.476 18.408 0.480 102915704 C13NOESY >>561 4.850 18.377 0.478 1456200 C13NOESY >>562 2.728 18.353 0.482 1152822 C13NOESY >>563 0.757 18.244 0.524 14803075 C13NOESY >>564 9.064 18.405 0.482 2016818 C13NOESY >>565 0.813 18.422 0.480 9918301 C13NOESY >>566 1.506 18.413 0.481 9698336 C13NOESY >>567 8.752 18.199 0.520 1619765 C13NOESY >>568 4.871 42.901 1.431 1114060 C13NOESY >>569 1.440 42.958 1.410 3000839 C13NOESY >>570 0.506 42.909 1.423 4322253 C13NOESY >>571 0.716 42.923 1.427 4725918 C13NOESY >>572 4.864 16.020 0.761 979033 C13NOESY >>573 1.403 16.039 0.758 2802541 C13NOESY >>574 1.320 16.036 0.760 3846347 C13NOESY >>575 0.950 16.036 0.757 5417078 C13NOESY >>576 0.514 16.058 0.753 8426186 C13NOESY >>577 1.053 16.063 0.752 3994069 C13NOESY >>578 0.643 16.161 0.725 23348228 C13NOESY >>579 0.753 16.039 0.749 56844020 C13NOESY >>580 3.760 28.166 1.324 1034432 C13NOESY >>581 4.867 28.164 1.327 1435483 C13NOESY >>582 1.436 28.227 0.951 1475661 C13NOESY >>583 0.742 28.130 0.958 3345813 C13NOESY >>584 1.321 28.160 0.952 5062403 C13NOESY >>585 0.508 28.143 1.326 3465482 C13NOESY >>586 0.513 28.154 0.962 2828210 C13NOESY >>587 0.745 28.173 1.326 6220722 C13NOESY >>588 1.321 28.200 1.331 4678966 C13NOESY >>589 0.947 28.153 1.325 6403047 C13NOESY >>590 3.120 17.566 0.510 3059988 C13NOESY >>591 5.148 17.571 0.509 2510349 C13NOESY >>592 3.751 17.564 0.507 1435024 C13NOESY >>593 4.859 17.559 0.509 5142678 C13NOESY >>594 1.422 17.566 0.509 8307866 C13NOESY >>595 0.953 17.530 0.507 3843662 C13NOESY >>596 0.504 17.559 0.509 119941624 C13NOESY >>597 9.206 17.624 0.507 1319332 C13NOESY >>598 2.066 17.507 0.507 997370 C13NOESY >>599 4.372 17.528 0.517 1129448 C13NOESY >>600 0.740 17.584 0.509 12617226 C13NOESY >>601 5.103 50.849 5.097 3026139 C13NOESY >>602 1.644 50.846 5.105 2078402 C13NOESY >>603 4.376 50.861 5.106 2139668 C13NOESY >>604 3.908 50.857 5.105 2000459 C13NOESY >>605 4.916 50.861 5.108 1996960 C13NOESY >>606 1.502 50.861 5.100 2397778 C13NOESY >>607 0.775 34.953 1.688 1870577 C13NOESY >>608 0.795 34.869 2.147 3733306 C13NOESY >>609 2.127 34.725 2.146 2070936 C13NOESY >>610 2.132 34.977 1.691 2461012 C13NOESY >>611 1.494 34.914 2.149 2460328 C13NOESY >>612 1.664 34.936 2.144 3512232 C13NOESY >>613 0.844 35.175 1.708 1054978 C13NOESY >>614 0.965 60.940 4.797 1553152 C13NOESY >>615 0.772 61.357 4.852 1539539 C13NOESY >>616 4.826 30.576 2.051 1295809 C13NOESY >>617 4.844 30.726 1.925 1463452 C13NOESY >>618 1.917 30.718 2.035 1963621 C13NOESY >>619 0.688 30.640 2.065 1226736 C13NOESY >>620 0.869 30.666 2.051 2344387 C13NOESY >>621 0.874 30.726 1.910 1864181 C13NOESY >>622 2.032 30.652 1.908 3244073 C13NOESY >>623 0.972 30.672 1.884 1295442 C13NOESY >>624 5.102 53.076 4.385 2442781 C13NOESY >>625 5.100 53.107 3.915 2266998 C13NOESY >>626 1.635 53.153 4.375 1171138 C13NOESY >>627 4.383 53.115 3.919 3038388 C13NOESY >>628 3.912 53.098 4.381 2851098 C13NOESY >>629 3.919 53.112 3.918 2335844 C13NOESY >>630 1.452 52.901 4.348 1059810 C13NOESY >>631 4.924 53.063 4.392 1553190 C13NOESY >>632 4.920 53.082 3.921 1458835 C13NOESY >>633 0.711 52.984 3.917 982758 C13NOESY >>634 2.025 53.068 4.387 1605599 C13NOESY >>635 2.012 53.111 3.928 1968400 C13NOESY >>636 1.480 53.072 4.377 1945942 C13NOESY >>637 1.482 53.110 3.919 2304084 C13NOESY >>638 0.959 53.089 3.907 1099547 C13NOESY >>639 3.919 28.328 2.012 1333805 C13NOESY >>640 3.919 28.387 1.470 1372701 C13NOESY >>641 1.460 28.348 2.024 3545356 C13NOESY >>642 0.695 28.362 2.013 1585922 C13NOESY >>643 0.698 28.301 1.468 2394899 C13NOESY >>644 2.021 28.385 1.465 4463770 C13NOESY >>645 0.963 28.305 1.462 1617724 C13NOESY >>646 0.904 28.371 2.023 1959224 C13NOESY >>647 0.893 28.321 1.462 1709163 C13NOESY >>648 4.095 57.466 4.100 31991536 C13NOESY >>649 1.795 57.475 4.100 3691428 C13NOESY >>650 1.600 57.471 4.100 5438493 C13NOESY >>651 1.706 57.439 4.102 2929305 C13NOESY >>652 1.009 57.471 4.101 11888942 C13NOESY >>653 8.817 57.532 4.102 1692272 C13NOESY >>654 1.515 40.338 1.773 1526983 C13NOESY >>655 1.506 40.325 1.591 4918703 C13NOESY >>656 4.097 40.648 1.800 1866428 C13NOESY >>657 4.090 40.711 1.599 2294954 C13NOESY >>658 1.794 40.645 1.604 6839856 C13NOESY >>659 1.600 40.639 1.797 7067228 C13NOESY >>660 1.015 40.638 1.799 4316710 C13NOESY >>661 1.016 40.658 1.602 4630780 C13NOESY >>662 5.166 25.501 1.030 1494180 C13NOESY >>663 1.481 25.468 1.027 4617345 C13NOESY >>664 2.700 25.486 1.032 1838104 C13NOESY >>665 0.782 25.512 1.026 4084689 C13NOESY >>666 4.093 25.514 1.027 2289464 C13NOESY >>667 1.601 25.486 1.027 7662498 C13NOESY >>668 1.704 25.487 1.027 9126236 C13NOESY >>669 6.865 25.479 1.025 4339027 C13NOESY >>670 1.815 25.491 1.026 10114340 C13NOESY >>671 1.020 25.509 1.025 318103680 C13NOESY >>672 5.152 23.223 1.009 1634383 C13NOESY >>673 4.097 23.229 1.009 14190866 C13NOESY >>674 1.704 23.242 1.009 12820872 C13NOESY >>675 8.897 23.239 1.017 1150338 C13NOESY >>676 1.005 23.241 1.009 368787104 C13NOESY >>677 1.486 23.268 1.004 3063918 C13NOESY >>678 1.600 23.246 1.008 7047238 C13NOESY >>679 8.885 28.152 1.701 1216710 C13NOESY >>680 1.780 28.210 1.699 3854530 C13NOESY >>681 1.606 28.140 1.707 4198272 C13NOESY >>682 1.013 28.168 1.706 11672950 C13NOESY >>683 4.097 28.176 1.710 2139558 C13NOESY >>684 8.819 55.574 4.474 1657312 C13NOESY >>685 2.965 55.494 4.465 5909845 C13NOESY >>686 2.711 55.483 4.461 3787315 C13NOESY >>687 4.456 40.461 2.970 5241534 C13NOESY >>688 4.454 40.487 2.715 3072239 C13NOESY >>689 2.964 40.464 2.716 14512512 C13NOESY >>690 2.711 40.466 2.969 18983088 C13NOESY >>691 2.622 40.365 2.710 2542352 C13NOESY >>692 2.670 40.403 2.731 5080648 C13NOESY >>693 1.971 62.509 4.161 2828358 C13NOESY >>694 0.975 62.496 4.163 6485418 C13NOESY >>695 0.869 62.495 4.163 8630089 C13NOESY >>696 8.805 62.509 4.163 2108531 C13NOESY >>697 4.159 62.514 4.162 30287366 C13NOESY >>698 0.970 32.625 1.971 2974361 C13NOESY >>699 0.870 32.624 1.974 3527138 C13NOESY >>700 4.157 21.913 0.980 7591496 C13NOESY >>701 8.800 21.820 0.977 965615 C13NOESY >>702 7.338 21.839 0.981 1342632 C13NOESY >>703 2.171 21.882 0.979 5552109 C13NOESY >>704 8.128 21.796 0.978 1044560 C13NOESY >>705 3.827 21.881 0.979 7916156 C13NOESY >>706 1.366 21.857 0.979 7515528 C13NOESY >>707 4.508 21.881 0.981 3521588 C13NOESY >>708 3.139 21.904 0.981 2522314 C13NOESY >>709 1.982 21.878 0.980 13167676 C13NOESY >>710 0.975 22.063 0.980 410835104 C13NOESY >>711 1.464 21.017 0.868 1242514 C13NOESY >>712 1.773 20.989 0.875 1398012 C13NOESY >>713 4.159 21.040 0.872 7826642 C13NOESY >>714 0.963 21.025 0.869 17334190 C13NOESY >>715 0.867 21.031 0.870 107155816 C13NOESY >>716 2.169 20.961 0.872 1078860 C13NOESY >>717 1.976 21.034 0.871 10202768 C13NOESY >>718 3.002 53.357 5.409 1234666 C13NOESY >>719 5.410 53.187 5.412 25314568 C13NOESY >>720 3.115 53.177 5.414 4742160 C13NOESY >>721 2.615 53.172 5.415 2958810 C13NOESY >>722 4.501 53.166 5.416 2121130 C13NOESY >>723 2.975 41.645 3.098 1357773 C13NOESY >>724 2.999 41.165 2.600 1024388 C13NOESY >>725 5.409 41.146 3.114 3701069 C13NOESY >>726 5.416 41.175 2.620 2626972 C13NOESY >>727 3.123 41.150 3.112 4383285 C13NOESY >>728 3.113 41.153 2.620 11534414 C13NOESY >>729 2.616 41.150 3.116 12469036 C13NOESY >>730 2.615 41.162 2.620 12665963 C13NOESY >>731 7.890 41.218 3.114 1064682 C13NOESY >>732 4.875 56.330 4.902 1703095 C13NOESY >>733 4.259 56.684 4.860 3602482 C13NOESY >>734 4.876 67.107 4.352 4472698 C13NOESY >>735 4.870 67.089 3.935 4801220 C13NOESY >>736 4.349 67.090 3.937 8053803 C13NOESY >>737 3.933 67.103 4.354 8447634 C13NOESY >>738 3.935 67.061 3.934 7462422 C13NOESY >>739 1.014 58.941 4.228 3239864 C13NOESY >>740 4.857 58.863 4.231 1279161 C13NOESY >>741 4.225 58.841 4.230 28405628 C13NOESY >>742 1.924 58.932 4.229 3735201 C13NOESY >>743 1.830 58.920 4.230 4420528 C13NOESY >>744 3.178 58.904 4.222 1261852 C13NOESY >>745 1.709 58.933 4.230 5442588 C13NOESY >>746 1.368 58.931 4.228 6553401 C13NOESY >>747 0.962 58.955 4.228 2415186 C13NOESY >>748 4.537 58.893 4.233 1860471 C13NOESY >>749 3.150 58.930 4.230 1456281 C13NOESY >>750 8.139 58.958 4.219 965042 C13NOESY >>751 4.220 30.666 1.932 2362662 C13NOESY >>752 4.225 30.655 1.842 2509898 C13NOESY >>753 1.839 30.764 1.939 13432419 C13NOESY >>754 3.173 30.683 1.929 2539078 C13NOESY >>755 3.178 30.645 1.840 2137252 C13NOESY >>756 1.716 30.624 1.846 4969636 C13NOESY >>757 4.529 30.676 1.933 2622954 C13NOESY >>758 4.528 30.673 1.840 2758102 C13NOESY >>759 1.844 31.034 1.849 20907862 C13NOESY >>760 1.922 30.618 1.928 19726956 C13NOESY >>761 1.711 30.661 1.930 7729249 C13NOESY >>762 4.226 43.558 3.183 1339480 C13NOESY >>763 1.915 43.648 3.199 3979139 C13NOESY >>764 1.922 43.624 3.161 3633220 C13NOESY >>765 4.551 43.622 3.153 2682371 C13NOESY >>766 1.129 43.674 3.174 4311262 C13NOESY >>767 3.191 43.566 3.199 158605440 C13NOESY >>768 4.223 27.319 1.711 4035756 C13NOESY >>769 3.171 27.363 1.711 8186944 C13NOESY >>770 1.016 27.332 1.713 2707316 C13NOESY >>771 1.534 27.668 1.737 10436379 C13NOESY >>772 1.712 27.355 1.718 46334520 C13NOESY >>773 1.711 60.640 4.005 1121786 C13NOESY >>774 2.148 60.609 4.012 6077636 C13NOESY >>775 1.949 60.580 4.012 7018436 C13NOESY >>776 2.459 60.607 4.009 2623778 C13NOESY >>777 2.266 60.597 4.010 5351800 C13NOESY >>778 4.008 60.592 4.012 53559800 C13NOESY >>779 4.006 28.891 2.147 4448139 C13NOESY >>780 4.007 28.891 1.952 5381315 C13NOESY >>781 1.948 28.898 2.148 18514880 C13NOESY >>782 2.438 28.876 2.148 5301248 C13NOESY >>783 2.456 28.898 1.953 5163512 C13NOESY >>784 2.266 28.881 2.148 6040157 C13NOESY >>785 2.258 28.870 1.952 6259630 C13NOESY >>786 2.148 28.895 1.955 22509274 C13NOESY >>787 1.953 28.859 1.959 62452364 C13NOESY >>788 2.136 28.858 2.145 38821744 C13NOESY >>789 4.009 37.103 2.463 3901272 C13NOESY >>790 4.008 37.091 2.272 5133224 C13NOESY >>791 2.144 37.094 2.465 7206146 C13NOESY >>792 1.949 37.093 2.464 7457400 C13NOESY >>793 2.459 37.086 2.467 74502688 C13NOESY >>794 2.455 37.073 2.277 41230420 C13NOESY >>795 2.271 37.092 2.463 40593856 C13NOESY >>796 2.153 36.973 2.281 9146900 C13NOESY >>797 1.958 36.983 2.280 6464073 C13NOESY >>798 0.967 58.619 4.089 1408091 C13NOESY >>799 7.624 58.684 4.091 1017190 C13NOESY >>800 4.092 58.619 4.096 38464108 C13NOESY >>801 2.168 58.635 4.097 5093365 C13NOESY >>802 1.997 58.621 4.098 4154604 C13NOESY >>803 2.410 58.596 4.094 2718544 C13NOESY >>804 2.284 58.618 4.097 4234192 C13NOESY >>805 1.859 58.600 4.089 1245529 C13NOESY >>806 1.501 58.631 4.089 1485100 C13NOESY >>807 1.626 58.660 4.095 1415989 C13NOESY >>808 1.717 58.641 4.094 3342420 C13NOESY >>809 2.923 58.673 4.095 1711705 C13NOESY >>810 0.976 30.861 2.170 3520257 C13NOESY >>811 0.979 30.840 2.000 3180772 C13NOESY >>812 0.868 30.803 2.178 1069802 C13NOESY >>813 0.864 30.842 1.998 1339435 C13NOESY >>814 4.095 30.889 2.177 2548418 C13NOESY >>815 4.095 30.884 2.004 2146636 C13NOESY >>816 1.999 30.865 2.174 6191028 C13NOESY >>817 2.406 30.928 2.170 1675130 C13NOESY >>818 2.407 30.886 2.001 2646092 C13NOESY >>819 2.290 30.866 2.176 2627084 C13NOESY >>820 2.286 30.868 2.005 2850151 C13NOESY >>821 2.168 30.917 1.992 8379500 C13NOESY >>822 0.973 36.838 2.411 2294904 C13NOESY >>823 0.972 36.770 2.283 1008961 C13NOESY >>824 0.864 36.780 2.420 1091030 C13NOESY >>825 4.095 36.855 2.412 4198774 C13NOESY >>826 4.095 36.836 2.290 4029508 C13NOESY >>827 1.994 36.825 2.412 5307004 C13NOESY >>828 2.411 36.867 2.291 29730676 C13NOESY >>829 2.286 36.840 2.412 32250846 C13NOESY >>830 7.628 36.802 2.282 1159898 C13NOESY >>831 2.436 36.527 2.441 235275248 C13NOESY >>832 1.468 55.314 3.831 1163452 C13NOESY >>833 8.129 55.352 3.831 1145731 C13NOESY >>834 3.828 55.297 3.832 28981366 C13NOESY >>835 1.366 55.300 3.830 9579585 C13NOESY >>836 0.734 55.327 3.834 1593629 C13NOESY >>837 1.769 55.300 3.830 3067310 C13NOESY >>838 2.006 55.334 3.833 1870298 C13NOESY >>839 0.970 55.308 3.831 10028108 C13NOESY >>840 3.935 18.402 1.370 1146043 C13NOESY >>841 1.501 18.702 1.332 1286428 C13NOESY >>842 0.837 18.848 1.349 1158592 C13NOESY >>843 4.222 18.366 1.373 5662504 C13NOESY >>844 1.816 18.377 1.375 987780 C13NOESY >>845 8.134 18.406 1.374 2838948 C13NOESY >>846 3.830 18.365 1.373 10211468 C13NOESY >>847 1.366 18.366 1.372 116300504 C13NOESY >>848 8.277 18.394 1.367 1280159 C13NOESY >>849 2.287 18.410 1.373 1867847 C13NOESY >>850 4.505 18.358 1.371 3269812 C13NOESY >>851 3.143 18.369 1.373 4794721 C13NOESY >>852 4.860 18.360 1.374 1851381 C13NOESY >>853 0.722 18.338 1.371 1570153 C13NOESY >>854 2.017 18.303 1.368 1547955 C13NOESY >>855 0.979 18.365 1.372 21320808 C13NOESY >>856 3.872 61.550 3.875 29555354 C13NOESY >>857 3.997 61.540 3.880 5407263 C13NOESY >>858 1.875 61.474 3.874 1011747 C13NOESY >>859 0.909 61.562 3.876 7210774 C13NOESY >>860 1.615 61.552 3.874 3018852 C13NOESY >>861 1.018 61.549 3.874 6405132 C13NOESY >>862 1.717 62.996 4.004 1199563 C13NOESY >>863 8.281 63.044 3.994 1940031 C13NOESY >>864 3.884 62.981 3.994 7270379 C13NOESY >>865 1.012 62.965 3.994 2679398 C13NOESY >>866 3.995 63.013 3.997 69936936 C13NOESY >>867 0.911 62.995 4.001 3179821 C13NOESY >>868 7.134 57.594 4.206 1489481 C13NOESY >>869 1.851 57.561 4.206 7240908 C13NOESY >>870 1.495 57.533 4.207 5689447 C13NOESY >>871 1.625 57.524 4.207 4210966 C13NOESY >>872 1.714 57.540 4.208 4091771 C13NOESY >>873 4.188 32.443 2.013 1201800 C13NOESY >>874 4.201 32.107 2.017 2805053 C13NOESY >>875 2.002 32.055 2.052 1951866 C13NOESY >>876 2.032 32.071 2.010 3501241 C13NOESY >>877 2.042 32.443 1.860 1056596 C13NOESY >>878 2.025 32.113 1.858 5396026 C13NOESY >>879 1.867 32.443 2.034 1484183 C13NOESY >>880 1.857 32.107 2.023 6551464 C13NOESY >>881 1.499 32.169 2.026 1796909 C13NOESY >>882 1.502 32.127 1.874 1462666 C13NOESY >>883 1.633 32.137 2.010 1581272 C13NOESY >>884 1.635 32.123 1.855 1070511 C13NOESY >>885 1.722 32.148 2.023 3109284 C13NOESY >>886 4.093 29.209 1.723 3256884 C13NOESY >>887 2.932 29.224 1.724 9412789 C13NOESY >>888 2.953 29.620 1.709 11454163 C13NOESY >>889 2.010 29.196 1.728 4117938 C13NOESY >>890 4.094 42.183 2.910 1913114 C13NOESY >>891 2.941 42.115 2.912 129370184 C13NOESY >>892 1.850 42.212 2.910 1118308 C13NOESY >>893 4.211 25.502 1.501 2410079 C13NOESY >>894 4.210 25.508 1.631 2146498 C13NOESY >>895 2.018 25.498 1.504 2327632 C13NOESY >>896 2.010 25.511 1.628 2495528 C13NOESY >>897 1.721 25.514 1.630 7265694 C13NOESY >>898 2.953 25.360 1.511 3682093 C13NOESY >>899 1.706 25.212 1.499 13223544 C13NOESY >>900 4.130 54.189 4.134 13210381 C13NOESY >>901 1.587 54.171 4.137 2909755 C13NOESY >>902 2.012 54.200 4.130 2204201 C13NOESY >>903 0.906 54.234 4.123 1692163 C13NOESY >>904 0.738 54.189 4.136 6560745 C13NOESY >>905 3.273 54.273 4.144 989810 C13NOESY >>906 1.848 54.283 4.174 1850285 C13NOESY >>907 1.750 54.157 4.132 2699334 C13NOESY >>908 4.150 42.216 1.590 1295828 C13NOESY >>909 4.134 42.131 2.036 1198298 C13NOESY >>910 1.578 42.157 2.019 3912232 C13NOESY >>911 2.017 42.188 1.579 3988011 C13NOESY >>912 0.910 42.169 2.025 2317106 C13NOESY >>913 1.764 42.179 2.027 1572946 C13NOESY >>914 0.756 42.143 2.023 2895132 C13NOESY >>915 1.555 42.418 1.583 16337889 C13NOESY >>916 0.879 42.314 1.575 3856578 C13NOESY >>917 0.758 42.166 1.577 3421101 C13NOESY >>918 1.897 26.638 0.918 1711693 C13NOESY >>919 1.464 26.674 0.918 2744544 C13NOESY >>920 3.831 26.632 0.919 2843087 C13NOESY >>921 1.376 26.689 0.918 2273493 C13NOESY >>922 4.137 26.658 0.922 1746948 C13NOESY >>923 1.567 26.665 0.919 3243156 C13NOESY >>924 0.914 26.640 0.919 76014216 C13NOESY >>925 0.725 26.639 0.917 12121295 C13NOESY >>926 1.769 26.751 0.917 5761020 C13NOESY >>927 2.018 26.648 0.918 7644424 C13NOESY >>928 1.837 22.602 0.710 1147223 C13NOESY >>929 4.130 23.017 0.737 8397776 C13NOESY >>930 1.577 23.051 0.738 4565062 C13NOESY >>931 0.894 23.012 0.735 15699905 C13NOESY >>932 0.731 22.987 0.736 161968896 C13NOESY >>933 1.765 23.015 0.735 8850590 C13NOESY >>934 2.017 23.017 0.737 5096912 C13NOESY >>935 1.594 27.283 1.809 1467274 C13NOESY >>936 0.914 26.988 1.778 4180946 C13NOESY >>937 0.732 27.183 1.780 3014570 C13NOESY >>938 1.982 27.243 1.758 1649347 C13NOESY >>939 3.250 63.908 3.246 14057214 C13NOESY >>940 1.865 63.842 3.248 1974376 C13NOESY >>941 1.094 63.890 3.254 2505138 C13NOESY >>942 1.610 63.932 3.253 2467615 C13NOESY >>943 8.885 63.967 3.256 1618975 C13NOESY >>944 2.164 63.930 3.253 2276526 C13NOESY >>945 0.772 63.924 3.252 7660422 C13NOESY >>946 0.890 63.910 3.254 9746940 C13NOESY >>947 4.169 36.394 1.844 1403435 C13NOESY >>948 3.244 36.415 1.868 1836582 C13NOESY >>949 1.090 36.382 1.870 2524910 C13NOESY >>950 1.613 36.410 1.875 2630143 C13NOESY >>951 0.892 36.376 1.872 13094532 C13NOESY >>952 6.965 36.463 1.869 1916908 C13NOESY >>953 3.250 12.435 0.879 1400085 C13NOESY >>954 1.867 12.258 0.880 2442930 C13NOESY >>955 1.868 12.462 0.922 1957716 C13NOESY >>956 1.098 12.454 0.933 4734982 C13NOESY >>957 1.097 12.317 0.880 4037550 C13NOESY >>958 1.096 12.413 0.886 3678052 C13NOESY >>959 1.596 12.228 0.880 3210654 C13NOESY >>960 1.613 12.458 0.925 2808781 C13NOESY >>961 1.609 12.350 0.889 2690885 C13NOESY >>962 0.799 12.148 0.879 167359376 C13NOESY >>963 4.671 12.377 0.880 2138184 C13NOESY >>964 2.296 12.524 0.892 2101914 C13NOESY >>965 1.021 12.462 0.932 3295574 C13NOESY >>966 0.914 12.509 0.882 37891704 C13NOESY >>967 3.874 28.800 1.096 1395068 C13NOESY >>968 6.962 28.809 1.612 1541189 C13NOESY >>969 3.249 28.787 1.093 2166464 C13NOESY >>970 3.251 28.778 1.616 1671814 C13NOESY >>971 1.869 28.804 1.093 1979919 C13NOESY >>972 1.875 28.799 1.623 2897924 C13NOESY >>973 1.090 28.769 1.096 4299124 C13NOESY >>974 1.612 28.813 1.095 8727654 C13NOESY >>975 0.895 28.792 1.096 9855906 C13NOESY >>976 0.899 28.818 1.620 10725339 C13NOESY >>977 1.084 28.805 1.621 10620603 C13NOESY >>978 6.965 17.666 0.892 1168158 C13NOESY >>979 3.248 17.684 0.892 7741966 C13NOESY >>980 1.868 17.684 0.892 16186960 C13NOESY >>981 1.086 17.710 0.892 5091158 C13NOESY >>982 1.615 17.692 0.893 4577747 C13NOESY >>983 8.876 17.740 0.891 1304600 C13NOESY >>984 0.776 17.764 0.896 2887633 C13NOESY >>985 4.651 17.687 0.891 6237928 C13NOESY >>986 0.889 17.686 0.893 229765632 C13NOESY >>987 0.882 44.748 4.525 1685013 C13NOESY >>988 0.884 44.766 3.615 1400908 C13NOESY >>989 8.884 44.782 4.532 1348238 C13NOESY >>990 8.885 44.778 3.615 1248564 C13NOESY >>991 4.524 44.705 3.613 15247822 C13NOESY >>992 3.607 44.700 4.527 14316104 C13NOESY >>993 3.614 44.667 3.609 15288063 C13NOESY >>994 2.919 44.740 3.604 1186760 C13NOESY >>995 1.230 44.718 4.520 1067663 C13NOESY >>996 1.214 44.745 3.613 1169645 C13NOESY >>997 4.519 44.767 4.510 11898292 C13NOESY >>998 7.941 56.373 4.489 998992 C13NOESY >>999 4.488 56.334 4.491 16866414 C13NOESY >>1000 2.124 56.273 4.486 1616115 C13NOESY >>1001 1.895 56.297 4.484 1506580 C13NOESY >>1002 1.652 56.336 4.485 1933484 C13NOESY >>1003 1.720 56.389 4.484 1956559 C13NOESY >>1004 8.401 56.312 4.488 1125500 C13NOESY >>1005 0.778 56.303 4.487 1070275 C13NOESY >>1006 0.880 30.553 2.111 1128686 C13NOESY >>1007 4.477 30.566 2.122 1293413 C13NOESY >>1008 2.111 30.245 2.114 24478918 C13NOESY >>1009 2.101 30.700 1.883 3389610 C13NOESY >>1010 1.890 30.568 2.110 2791593 C13NOESY >>1011 2.994 30.989 2.097 1110795 C13NOESY >>1012 0.776 30.584 2.101 1894330 C13NOESY >>1013 0.781 30.605 1.908 1858924 C13NOESY >>1014 0.702 30.692 1.896 1210155 C13NOESY >>1015 0.782 28.174 1.710 2237340 C13NOESY >>1016 4.476 28.248 1.654 1192783 C13NOESY >>1017 4.475 28.323 1.724 1609343 C13NOESY >>1018 2.118 28.260 1.641 1055941 C13NOESY >>1019 3.049 28.248 1.635 1270039 C13NOESY >>1020 4.495 54.780 4.811 4045038 C13NOESY >>1021 2.161 54.666 4.789 1093704 C13NOESY >>1022 4.774 54.501 4.775 6468686 C13NOESY >>1023 1.003 54.503 4.771 1069442 C13NOESY >>1024 8.200 54.531 4.774 2643494 C13NOESY >>1025 5.151 54.608 4.781 4353190 C13NOESY >>1026 1.540 54.634 4.754 1110810 C13NOESY >>1027 1.205 54.568 4.776 1083795 C13NOESY >>1028 1.574 54.574 4.775 2343200 C13NOESY >>1029 2.135 44.059 1.666 1505065 C13NOESY >>1030 3.000 43.967 1.632 984906 C13NOESY >>1031 4.788 44.090 1.668 2010022 C13NOESY >>1032 4.799 44.081 1.568 1290174 C13NOESY >>1033 4.776 44.024 1.609 1344952 C13NOESY >>1034 1.671 44.067 1.590 6645354 C13NOESY >>1035 0.977 44.109 1.667 2394306 C13NOESY >>1036 8.205 44.026 1.672 1049122 C13NOESY >>1037 1.588 44.085 1.675 11238519 C13NOESY >>1038 0.867 44.093 1.667 4437337 C13NOESY >>1039 0.872 44.092 1.593 2050967 C13NOESY >>1040 2.158 24.932 0.992 1216316 C13NOESY >>1041 4.767 24.774 1.005 4363995 C13NOESY >>1042 1.696 24.777 1.002 9664434 C13NOESY >>1043 0.997 24.781 1.003 312773376 C13NOESY >>1044 0.875 24.820 1.003 22065526 C13NOESY >>1045 1.834 24.779 1.000 2359118 C13NOESY >>1046 2.952 24.813 1.001 2788840 C13NOESY >>1047 1.602 24.759 1.004 12053399 C13NOESY >>1048 4.780 24.947 0.883 2566719 C13NOESY >>1049 0.992 24.904 0.881 12175027 C13NOESY >>1050 8.199 24.871 0.881 1429472 C13NOESY >>1051 1.698 24.579 0.868 2167693 C13NOESY >>1052 1.663 25.066 0.877 12008588 C13NOESY >>1053 0.871 25.120 0.876 789642112 C13NOESY >>1054 4.820 27.344 1.607 2385304 C13NOESY >>1055 0.990 27.440 1.608 4634425 C13NOESY >>1056 8.200 27.381 1.596 1308204 C13NOESY >>1057 5.037 59.529 5.042 8162072 C13NOESY >>1058 1.390 59.551 5.044 1131300 C13NOESY >>1059 0.795 59.597 5.026 2786814 C13NOESY >>1060 9.328 59.599 5.034 3049806 C13NOESY >>1061 8.205 34.469 1.399 1975451 C13NOESY >>1062 5.019 34.487 1.390 1762429 C13NOESY >>1063 1.394 34.467 1.398 14277436 C13NOESY >>1064 0.773 34.466 1.399 5961118 C13NOESY >>1065 8.207 22.237 0.786 1336887 C13NOESY >>1066 5.018 22.217 0.792 5761272 C13NOESY >>1067 1.391 22.217 0.790 7235724 C13NOESY >>1068 9.329 22.194 0.794 2418923 C13NOESY >>1069 6.797 22.205 0.791 4264791 C13NOESY >>1070 4.776 22.529 0.716 1394875 C13NOESY >>1071 8.203 22.529 0.712 2983244 C13NOESY >>1072 5.023 22.556 0.714 5107912 C13NOESY >>1073 1.398 22.552 0.715 7915008 C13NOESY >>1074 9.337 22.530 0.718 1811230 C13NOESY >>1075 5.135 22.577 0.717 2873322 C13NOESY >>1076 2.192 22.483 0.716 2448669 C13NOESY >>1077 1.646 22.581 0.712 5150676 C13NOESY >>1078 1.060 22.560 0.712 6694268 C13NOESY >>1079 0.713 22.514 0.717 184158512 C13NOESY >>1080 5.363 53.539 5.365 12138571 C13NOESY >>1081 1.326 53.531 5.372 2392748 C13NOESY >>1082 1.856 53.580 5.365 1802763 C13NOESY >>1083 1.573 53.499 5.368 1292908 C13NOESY >>1084 0.841 53.561 5.366 7498240 C13NOESY >>1085 9.254 53.555 5.365 4949534 C13NOESY >>1086 5.365 44.191 1.347 1085406 C13NOESY >>1087 5.368 44.235 1.863 1321210 C13NOESY >>1088 1.330 44.262 1.331 1761415 C13NOESY >>1089 1.327 44.224 1.865 4171301 C13NOESY >>1090 1.859 44.255 1.331 5565896 C13NOESY >>1091 1.578 44.196 1.334 1633164 C13NOESY >>1092 0.843 44.262 1.330 5489968 C13NOESY >>1093 0.841 44.263 1.863 4322992 C13NOESY >>1094 9.335 27.211 1.579 1385594 C13NOESY >>1095 5.362 27.294 1.579 1344188 C13NOESY >>1096 1.334 27.245 1.580 2017589 C13NOESY >>1097 0.847 27.458 1.591 16054078 C13NOESY >>1098 0.990 23.748 0.846 2600870 C13NOESY >>1099 5.366 23.766 0.849 7245289 C13NOESY >>1100 5.459 23.783 0.849 4238634 C13NOESY >>1101 2.963 23.759 0.849 2940238 C13NOESY >>1102 1.331 23.770 0.850 8316897 C13NOESY >>1103 1.849 23.779 0.849 3945740 C13NOESY >>1104 1.571 23.785 0.846 11056376 C13NOESY >>1105 0.843 23.783 0.847 225453120 C13NOESY >>1106 9.249 23.768 0.852 2128636 C13NOESY >>1107 1.704 23.774 0.847 5656024 C13NOESY >>1108 9.255 57.184 5.030 1817641 C13NOESY >>1109 5.022 57.137 5.027 20512176 C13NOESY >>1110 2.799 57.113 5.028 2908346 C13NOESY >>1111 3.181 57.166 5.029 2215336 C13NOESY >>1112 7.313 57.145 5.024 2698487 C13NOESY >>1113 8.072 57.152 5.027 1633262 C13NOESY >>1114 0.947 57.142 5.027 3125479 C13NOESY >>1115 5.013 31.486 2.806 1817440 C13NOESY >>1116 2.795 31.455 2.796 2724316 C13NOESY >>1117 3.182 31.415 2.800 3838322 C13NOESY >>1118 7.206 31.405 2.786 1346065 C13NOESY >>1119 0.947 31.424 2.789 1860158 C13NOESY >>1120 4.291 55.140 4.302 13151509 C13NOESY >>1121 1.534 55.185 4.295 3160510 C13NOESY >>1122 1.311 55.149 4.297 3276882 C13NOESY >>1123 1.189 55.098 4.299 1772469 C13NOESY >>1124 1.010 55.130 4.297 2620036 C13NOESY >>1125 8.205 55.178 4.282 1571481 C13NOESY >>1126 4.658 55.141 4.297 4751354 C13NOESY >>1127 1.070 55.077 4.298 1833902 C13NOESY >>1128 9.554 55.208 4.301 1019078 C13NOESY >>1129 0.812 55.108 4.296 2992614 C13NOESY >>1130 4.285 32.655 1.519 2014640 C13NOESY >>1131 4.289 32.662 1.322 2320996 C13NOESY >>1132 1.311 32.662 1.315 7681012 C13NOESY >>1133 1.193 32.651 1.521 3957504 C13NOESY >>1134 1.193 32.654 1.316 4062539 C13NOESY >>1135 1.008 32.670 1.515 2572912 C13NOESY >>1136 1.013 32.637 1.313 2803873 C13NOESY >>1137 2.861 32.641 1.524 1347601 C13NOESY >>1138 0.781 32.620 1.520 1985028 C13NOESY >>1139 1.523 32.646 1.316 11337673 C13NOESY >>1140 0.804 32.663 1.315 1692820 C13NOESY >>1141 1.545 32.676 1.517 6822175 C13NOESY >>1142 1.312 32.644 1.522 12437886 C13NOESY >>1143 4.309 29.416 1.563 1975309 C13NOESY >>1144 1.290 29.379 1.562 5174890 C13NOESY >>1145 1.201 29.340 1.565 13353459 C13NOESY >>1146 1.011 29.384 1.561 9740177 C13NOESY >>1147 2.866 29.388 1.561 14876123 C13NOESY >>1148 0.804 29.395 1.561 3059807 C13NOESY >>1149 1.100 29.380 1.562 2046237 C13NOESY >>1150 1.556 29.374 1.561 287341664 C13NOESY >>1151 4.297 24.429 1.193 2245749 C13NOESY >>1152 4.307 24.549 1.010 2581604 C13NOESY >>1153 1.187 24.448 1.015 13653241 C13NOESY >>1154 1.017 24.444 1.195 15616881 C13NOESY >>1155 2.860 24.440 1.012 1900462 C13NOESY >>1156 8.197 24.795 1.005 3509162 C13NOESY >>1157 3.302 24.375 1.007 1169762 C13NOESY >>1158 0.814 24.468 1.197 1734872 C13NOESY >>1159 1.215 24.662 1.220 152297200 C13NOESY >>1160 1.559 24.642 1.220 22782342 C13NOESY >>1161 1.311 24.465 1.018 4355942 C13NOESY >>1162 7.001 56.572 3.215 1093452 C13NOESY >>1163 3.225 56.574 3.219 4704574 C13NOESY >>1164 4.100 56.609 3.217 2809396 C13NOESY >>1165 3.485 56.623 3.220 2765513 C13NOESY >>1166 3.860 56.583 3.222 5674264 C13NOESY >>1167 7.000 63.476 3.476 970163 C13NOESY >>1168 8.197 63.553 3.482 1182515 C13NOESY >>1169 3.215 63.509 4.103 3755393 C13NOESY >>1170 3.216 63.498 3.489 3592725 C13NOESY >>1171 4.098 63.502 4.103 6713188 C13NOESY >>1172 4.099 63.501 3.488 10526919 C13NOESY >>1173 3.484 63.496 4.104 10795866 C13NOESY >>1174 3.484 63.499 3.488 14001323 C13NOESY >>1175 3.858 63.510 4.102 5460494 C13NOESY >>1176 3.861 63.469 3.488 3913009 C13NOESY >>1177 1.129 63.478 4.105 1501745 C13NOESY >>1178 1.125 63.522 3.492 1913978 C13NOESY >>1179 1.959 63.512 4.101 1321297 C13NOESY >>1180 1.959 63.513 3.496 1131369 C13NOESY >>1181 4.281 31.771 2.439 6371574 C13NOESY >>1182 4.282 31.770 1.953 3798677 C13NOESY >>1183 2.432 31.777 2.435 10560803 C13NOESY >>1184 2.432 31.765 1.954 13439624 C13NOESY >>1185 1.950 31.768 2.438 13889070 C13NOESY >>1186 1.967 31.802 1.939 2197437 C13NOESY >>1187 2.190 31.795 2.433 2690214 C13NOESY >>1188 2.198 31.792 1.945 2481460 C13NOESY >>1189 2.110 31.760 2.438 4935484 C13NOESY >>1190 2.114 31.780 1.952 2151953 C13NOESY >>1191 3.858 31.756 2.438 2597251 C13NOESY >>1192 3.861 31.763 1.953 2692736 C13NOESY >>1193 6.996 51.098 3.859 2016261 C13NOESY >>1194 7.357 51.058 3.856 1418537 C13NOESY >>1195 3.218 51.073 3.861 5345936 C13NOESY >>1196 4.098 51.086 3.860 4287314 C13NOESY >>1197 4.282 50.972 3.860 1297659 C13NOESY >>1198 1.954 51.005 3.851 1788904 C13NOESY >>1199 2.176 51.064 3.855 3856138 C13NOESY >>1200 2.121 51.090 3.860 4028622 C13NOESY >>1201 3.856 51.066 3.860 17817558 C13NOESY >>1202 4.280 27.973 2.195 1596141 C13NOESY >>1203 4.283 27.992 2.111 1951045 C13NOESY >>1204 2.434 27.958 2.192 3275214 C13NOESY >>1205 2.435 27.984 2.111 3498742 C13NOESY >>1206 1.949 27.954 2.199 3373915 C13NOESY >>1207 1.955 27.990 2.115 2704439 C13NOESY >>1208 2.205 27.970 2.203 5684534 C13NOESY >>1209 2.195 27.947 2.112 9642630 C13NOESY >>1210 2.104 27.973 2.202 9022005 C13NOESY >>1211 3.858 27.960 2.198 5360164 C13NOESY >>1212 3.859 27.927 2.113 4236234 C13NOESY >>1213 4.312 58.069 4.401 1202800 C13NOESY >>1214 4.409 58.526 4.412 47352992 C13NOESY >>1215 4.032 58.518 4.408 9848105 C13NOESY >>1216 3.880 58.516 4.408 9153505 C13NOESY >>1217 4.403 63.748 4.037 6767778 C13NOESY >>1218 4.405 63.753 3.886 6963040 C13NOESY >>1219 4.036 63.761 4.041 16791326 C13NOESY >>1220 4.036 63.740 3.887 16911754 C13NOESY >>1221 3.882 63.755 4.038 16070579 C13NOESY >>1222 3.883 63.743 3.888 19113358 C13NOESY >>1223 2.992 63.679 3.864 15193397 C13NOESY >>1224 1.552 44.994 3.313 1860601 C13NOESY >>1225 2.860 44.970 3.305 1454269 C13NOESY >>1226 8.200 45.037 3.306 1645753 C13NOESY >>1227 8.205 45.030 4.359 1547898 C13NOESY >>1228 3.309 44.957 3.312 18079658 C13NOESY >>1229 3.307 44.955 4.359 20097460 C13NOESY >>1230 4.355 44.954 3.312 20275838 C13NOESY >>1231 4.357 44.912 4.361 19558946 C13NOESY >>1232 1.561 44.925 4.360 1566752 C13NOESY >>1233 7.245 56.044 4.236 1272021 C13NOESY >>1234 4.238 55.901 4.243 63112048 C13NOESY >>1235 1.412 55.903 4.242 3300261 C13NOESY >>1236 1.311 55.899 4.243 3205883 C13NOESY >>1237 8.732 55.952 4.243 4062139 C13NOESY >>1238 0.804 55.856 4.246 1355338 C13NOESY >>1239 1.651 55.908 4.243 12011500 C13NOESY >>1240 1.082 55.949 4.246 1426094 C13NOESY >>1241 7.252 33.025 1.630 1033003 C13NOESY >>1242 4.236 32.918 1.667 5209046 C13NOESY >>1243 4.240 32.894 1.604 4766967 C13NOESY >>1244 1.601 32.912 1.667 28542006 C13NOESY >>1245 1.412 32.876 1.666 4515990 C13NOESY >>1246 1.408 32.932 1.603 5201935 C13NOESY >>1247 1.311 32.905 1.665 3798326 C13NOESY >>1248 1.657 32.912 1.604 30406058 C13NOESY >>1249 1.312 32.873 1.604 4066231 C13NOESY >>1250 4.242 28.821 1.664 4462714 C13NOESY >>1251 1.412 28.808 1.665 13184162 C13NOESY >>1252 1.315 28.823 1.664 9409480 C13NOESY >>1253 2.990 28.801 1.665 21116648 C13NOESY >>1254 0.999 29.078 1.640 1774349 C13NOESY >>1255 1.660 28.828 1.665 470374688 C13NOESY >>1256 4.238 42.166 2.995 2370978 C13NOESY >>1257 1.317 42.131 2.995 7176555 C13NOESY >>1258 1.037 42.148 2.996 3320803 C13NOESY >>1259 4.242 25.015 1.412 2932307 C13NOESY >>1260 4.242 24.994 1.315 2719849 C13NOESY >>1261 1.405 25.002 1.317 44697044 C13NOESY >>1262 1.313 25.002 1.413 51748748 C13NOESY >>1263 2.995 24.978 1.419 4102447 C13NOESY >>1264 1.018 25.442 1.439 1669381 C13NOESY >>1265 1.656 25.010 1.317 16209597 C13NOESY >>1266 1.657 24.956 1.412 19776620 C13NOESY >>1267 1.313 25.024 1.318 80401720 C13NOESY >>1268 2.984 25.048 1.320 3441672 C13NOESY >>1269 1.415 24.983 1.427 83005872 C13NOESY >>1270 4.293 60.167 4.660 4936932 C13NOESY >>1271 1.300 60.143 4.661 1153638 C13NOESY >>1272 1.871 60.126 4.662 2848661 C13NOESY >>1273 1.594 60.183 4.663 2393986 C13NOESY >>1274 9.567 60.212 4.662 2911477 C13NOESY >>1275 4.931 60.033 4.662 2567154 C13NOESY >>1276 0.824 60.147 4.662 7314324 C13NOESY >>1277 8.739 38.121 1.872 1111644 C13NOESY >>1278 4.652 38.200 1.879 1540143 C13NOESY >>1279 1.878 38.190 1.881 24795020 C13NOESY >>1280 1.603 38.197 1.877 2887841 C13NOESY >>1281 1.087 38.171 1.880 2869032 C13NOESY >>1282 0.825 38.189 1.879 11049432 C13NOESY >>1283 1.023 12.502 0.825 2969035 C13NOESY >>1284 3.249 12.533 0.831 1139829 C13NOESY >>1285 4.664 12.439 0.824 1924744 C13NOESY >>1286 1.867 12.383 0.823 2089660 C13NOESY >>1287 1.616 12.408 0.831 2794086 C13NOESY >>1288 1.099 12.211 0.795 1653400 C13NOESY >>1289 0.797 12.140 0.838 79541920 C13NOESY >>1290 4.294 27.772 1.094 1749372 C13NOESY >>1291 1.307 27.828 1.093 1123749 C13NOESY >>1292 4.661 27.758 1.603 2169000 C13NOESY >>1293 4.658 27.750 1.095 2233860 C13NOESY >>1294 1.877 27.776 1.093 3691506 C13NOESY >>1295 1.601 27.778 1.093 21251506 C13NOESY >>1296 1.085 27.778 1.607 22651322 C13NOESY >>1297 1.088 27.772 1.093 22305152 C13NOESY >>1298 0.813 27.783 1.093 9171940 C13NOESY >>1299 1.872 27.707 1.607 4752194 C13NOESY >>1300 8.732 27.798 1.607 1278072 C13NOESY >>1301 5.360 18.892 0.835 2277408 C13NOESY >>1302 9.254 18.888 0.837 2082227 C13NOESY >>1303 4.286 18.909 0.837 1945683 C13NOESY >>1304 8.723 18.881 0.835 1196876 C13NOESY >>1305 4.656 18.887 0.836 6124470 C13NOESY >>1306 1.593 18.901 0.837 6397196 C13NOESY >>1307 1.085 18.880 0.836 5588636 C13NOESY >>1308 9.563 18.889 0.838 2357454 C13NOESY >>1309 2.957 18.897 0.835 1553024 C13NOESY >>1310 1.702 18.908 0.837 1672608 C13NOESY >>1311 1.872 18.888 0.837 17719366 C13NOESY >>1312 1.324 18.892 0.836 7346792 C13NOESY >>1313 0.831 18.884 0.837 221301776 C13NOESY >>1314 4.928 54.238 4.931 21091848 C13NOESY >>1315 2.190 54.228 4.928 1463938 C13NOESY >>1316 1.137 54.201 4.931 1130210 C13NOESY >>1317 1.038 54.223 4.934 4170588 C13NOESY >>1318 8.744 54.252 4.932 1419758 C13NOESY >>1319 1.956 54.233 4.932 4308572 C13NOESY >>1320 7.216 44.128 2.196 1157996 C13NOESY >>1321 7.209 44.023 1.965 1413041 C13NOESY >>1322 4.931 44.069 2.184 1274408 C13NOESY >>1323 4.929 44.127 1.962 2012648 C13NOESY >>1324 2.196 44.083 1.966 4127194 C13NOESY >>1325 1.124 44.092 2.187 1513356 C13NOESY >>1326 1.134 44.081 1.956 1602702 C13NOESY >>1327 1.959 44.077 2.199 5761661 C13NOESY >>1328 1.969 44.052 1.956 1625803 C13NOESY >>1329 7.218 25.308 1.136 5485250 C13NOESY >>1330 7.015 25.341 1.135 1860828 C13NOESY >>1331 6.824 25.316 1.135 5492707 C13NOESY >>1332 4.095 25.344 1.138 1649350 C13NOESY >>1333 3.486 25.280 1.135 2869313 C13NOESY >>1334 1.657 25.288 1.134 2199245 C13NOESY >>1335 3.021 25.278 1.132 1091436 C13NOESY >>1336 4.928 25.329 1.136 4039273 C13NOESY >>1337 2.190 25.293 1.136 6949992 C13NOESY >>1338 1.130 25.304 1.135 484046080 C13NOESY >>1339 4.345 25.288 1.135 2523133 C13NOESY >>1340 0.063 25.300 1.136 6034936 C13NOESY >>1341 3.726 25.340 1.135 2847865 C13NOESY >>1342 3.236 25.299 1.135 2575955 C13NOESY >>1343 1.958 25.304 1.136 16523032 C13NOESY >>1344 7.224 24.352 1.044 2020419 C13NOESY >>1345 1.398 24.010 1.066 1664772 C13NOESY >>1346 2.992 24.345 1.046 2476764 C13NOESY >>1347 4.927 24.325 1.045 12045603 C13NOESY >>1348 0.065 24.321 1.046 2838097 C13NOESY >>1349 2.188 24.286 1.045 3189590 C13NOESY >>1350 1.040 24.319 1.046 539966720 C13NOESY >>1351 1.959 24.317 1.045 15513391 C13NOESY >>1352 1.659 24.269 1.047 4126648 C13NOESY >>1353 7.224 28.775 1.958 1320051 C13NOESY >>1354 4.928 28.847 1.963 2628988 C13NOESY >>1355 1.128 28.816 1.960 4334886 C13NOESY >>1356 1.038 28.830 1.961 5303965 C13NOESY >>1357 0.846 55.408 5.465 3894036 C13NOESY >>1358 5.463 55.417 5.468 18022290 C13NOESY >>1359 1.828 55.423 5.473 2536984 C13NOESY >>1360 1.709 55.391 5.464 4035548 C13NOESY >>1361 1.338 55.405 5.466 2676000 C13NOESY >>1362 1.528 55.378 5.464 1696441 C13NOESY >>1363 9.234 55.433 5.466 3436782 C13NOESY >>1364 8.756 35.321 1.827 985562 C13NOESY >>1365 5.471 35.386 1.821 2032858 C13NOESY >>1366 5.459 35.336 1.715 1881607 C13NOESY >>1367 1.816 35.373 1.725 10575684 C13NOESY >>1368 1.332 35.353 1.827 1901907 C13NOESY >>1369 1.333 35.354 1.725 1999030 C13NOESY >>1370 1.516 35.301 1.726 1063625 C13NOESY >>1371 1.714 35.362 1.827 13592876 C13NOESY >>1372 0.983 29.651 1.708 3027659 C13NOESY >>1373 1.331 29.637 1.710 7584286 C13NOESY >>1374 0.853 29.664 1.710 6349446 C13NOESY >>1375 1.824 41.844 2.957 3254424 C13NOESY >>1376 1.334 41.830 2.961 6295064 C13NOESY >>1377 1.515 41.882 2.957 6598090 C13NOESY >>1378 2.953 41.864 2.962 411356928 C13NOESY >>1379 1.489 42.201 2.907 3383546 C13NOESY >>1380 1.719 42.206 2.910 10879672 C13NOESY >>1381 1.707 41.870 2.959 21581140 C13NOESY >>1382 2.913 41.763 2.918 512690848 C13NOESY >>1383 5.469 25.243 1.341 1737547 C13NOESY >>1384 5.479 25.224 1.513 1417430 C13NOESY >>1385 1.828 25.247 1.340 2320665 C13NOESY >>1386 1.333 25.269 1.517 9535403 C13NOESY >>1387 1.353 25.113 1.530 7596490 C13NOESY >>1388 1.513 25.283 1.340 10479647 C13NOESY >>1389 0.838 25.321 1.338 2784722 C13NOESY >>1390 0.821 25.287 1.518 1426930 C13NOESY >>1391 1.695 25.215 1.335 10104792 C13NOESY >>1392 1.706 25.331 1.507 14885951 C13NOESY >>1393 1.806 25.002 1.517 7836870 C13NOESY >>1394 4.332 43.750 1.925 4593496 C13NOESY >>1395 1.921 43.758 4.335 5453596 C13NOESY >>1396 1.959 43.925 1.916 1329381 C13NOESY >>1397 4.850 43.739 4.336 2396072 C13NOESY >>1398 4.846 43.771 1.916 1298940 C13NOESY >>1399 7.140 44.005 1.953 1068571 C13NOESY >>1400 1.008 54.676 5.158 1247566 C13NOESY >>1401 8.203 54.607 5.141 1913673 C13NOESY >>1402 1.220 54.638 5.144 3285961 C13NOESY >>1403 5.146 54.611 5.151 27801412 C13NOESY >>1404 1.559 54.593 5.148 7974649 C13NOESY >>1405 8.716 54.643 5.143 4175553 C13NOESY >>1406 8.027 36.663 1.560 1506495 C13NOESY >>1407 5.140 36.632 1.563 6616482 C13NOESY >>1408 1.560 36.641 1.564 84938728 C13NOESY >>1409 1.221 36.643 1.565 10693920 C13NOESY >>1410 8.712 36.647 1.564 1787356 C13NOESY >>1411 0.977 36.662 1.563 2934922 C13NOESY >>1412 2.916 29.300 1.638 7304861 C13NOESY >>1413 1.216 29.307 1.637 7394005 C13NOESY >>1414 1.574 29.300 1.637 81429968 C13NOESY >>1415 4.524 41.750 2.920 1603016 C13NOESY >>1416 3.613 41.776 2.916 2404919 C13NOESY >>1417 0.980 41.774 2.919 4251360 C13NOESY >>1418 0.843 41.834 2.961 10232890 C13NOESY >>1419 5.136 41.802 2.917 1015612 C13NOESY >>1420 1.216 41.748 2.918 9435057 C13NOESY >>1421 1.572 41.759 2.918 17647544 C13NOESY >>1422 4.524 24.679 1.221 1308196 C13NOESY >>1423 3.607 24.682 1.222 1671461 C13NOESY >>1424 4.810 24.722 1.226 961765 C13NOESY >>1425 1.033 24.342 1.246 3149638 C13NOESY >>1426 0.877 24.656 1.220 2539426 C13NOESY >>1427 0.765 24.636 1.228 1405432 C13NOESY >>1428 5.138 24.657 1.223 4891892 C13NOESY >>1429 2.913 24.658 1.221 5049316 C13NOESY >>1430 8.717 24.710 1.222 1907652 C13NOESY >>1431 2.150 24.691 1.227 1086742 C13NOESY >>1432 0.775 24.648 1.249 1876900 C13NOESY >>1433 8.710 62.865 4.150 1286481 C13NOESY >>1434 2.161 62.906 4.154 1178957 C13NOESY >>1435 2.173 62.693 4.159 1214544 C13NOESY >>1436 1.641 62.901 4.158 1843969 C13NOESY >>1437 8.941 62.907 4.150 1218509 C13NOESY >>1438 5.417 62.877 4.153 4971425 C13NOESY >>1439 1.060 62.861 4.156 2944060 C13NOESY >>1440 0.771 62.855 4.154 5615134 C13NOESY >>1441 3.253 36.315 2.171 1423862 C13NOESY >>1442 8.711 36.295 2.171 1628698 C13NOESY >>1443 1.648 36.307 2.174 1166405 C13NOESY >>1444 0.770 36.300 2.173 6508611 C13NOESY >>1445 2.038 14.598 0.803 1398507 C13NOESY >>1446 0.799 14.577 0.779 21490352 C13NOESY >>1447 0.771 14.572 0.803 24186434 C13NOESY >>1448 1.652 14.572 0.788 3209374 C13NOESY >>1449 4.135 14.615 0.799 1089749 C13NOESY >>1450 2.158 14.574 0.781 1956573 C13NOESY >>1451 8.718 29.014 1.658 1383246 C13NOESY >>1452 0.757 29.038 1.655 8466245 C13NOESY >>1453 2.031 18.142 0.775 4492588 C13NOESY >>1454 3.251 18.189 0.774 8141835 C13NOESY >>1455 4.482 18.117 0.778 1468228 C13NOESY >>1456 4.147 18.188 0.775 4472414 C13NOESY >>1457 2.163 18.171 0.774 7540716 C13NOESY >>1458 7.640 18.153 0.775 1031242 C13NOESY >>1459 4.873 18.168 0.775 2311558 C13NOESY >>1460 2.253 18.193 0.773 7334768 C13NOESY >>1461 0.942 18.165 0.773 8114728 C13NOESY >>1462 9.049 18.106 0.782 1065057 C13NOESY >>1463 1.072 18.176 0.773 2870187 C13NOESY >>1464 0.773 18.153 0.777 181477024 C13NOESY >>1465 0.768 62.089 4.652 997182 C13NOESY >>1466 4.644 61.999 4.647 42528336 C13NOESY >>1467 2.292 62.002 4.647 9159208 C13NOESY >>1468 0.975 62.000 4.647 10747140 C13NOESY >>1469 0.890 62.005 4.646 8098280 C13NOESY >>1470 4.645 34.113 2.299 7781196 C13NOESY >>1471 2.303 34.225 2.306 45104244 C13NOESY >>1472 0.974 34.119 2.298 11383386 C13NOESY >>1473 0.886 34.127 2.297 10894297 C13NOESY >>1474 1.655 34.020 2.309 996744 C13NOESY >>1475 1.219 22.229 0.978 2712020 C13NOESY >>1476 0.765 22.216 0.979 2936405 C13NOESY >>1477 8.932 22.225 0.980 1236892 C13NOESY >>1478 4.646 22.124 0.981 13677713 C13NOESY >>1479 2.292 22.117 0.980 17548540 C13NOESY >>1480 8.704 22.151 0.980 1219213 C13NOESY >>1481 3.219 22.211 0.980 2398147 C13NOESY >>1482 1.565 22.195 0.979 5406420 C13NOESY >>1483 4.142 18.795 0.891 1616522 C13NOESY >>1484 8.938 18.805 0.891 2784072 C13NOESY >>1485 4.648 18.814 0.891 4382868 C13NOESY >>1486 2.291 18.810 0.892 14339997 C13NOESY >>1487 0.887 18.809 0.892 219972624 C13NOESY >>1488 7.640 18.776 0.891 1870690 C13NOESY >>1489 1.999 18.788 0.893 1397964 C13NOESY >>1490 1.677 18.812 0.892 6020808 C13NOESY >>1491 1.875 18.820 0.890 4458813 C13NOESY >>1492 5.174 18.793 0.889 1412520 C13NOESY >>1493 1.524 18.831 0.894 3182526 C13NOESY >>1494 3.022 18.765 0.893 1778088 C13NOESY >>1495 5.418 18.797 0.891 3185210 C13NOESY >>1496 8.698 18.787 0.892 1022287 C13NOESY >>1497 3.241 18.801 0.892 2231714 C13NOESY >>1498 0.903 55.519 4.673 8388989 C13NOESY >>1499 1.083 55.500 4.671 1419670 C13NOESY >>1500 1.595 55.555 4.676 1808230 C13NOESY >>1501 7.645 55.586 4.672 1004821 C13NOESY >>1502 2.002 55.541 4.674 4067096 C13NOESY >>1503 1.685 55.515 4.672 2903230 C13NOESY >>1504 3.263 55.569 4.674 1687013 C13NOESY >>1505 8.633 55.583 4.675 2778064 C13NOESY >>1506 1.013 55.542 4.671 1432392 C13NOESY >>1507 1.872 55.527 4.672 6515010 C13NOESY >>1508 4.669 34.901 2.008 2789112 C13NOESY >>1509 4.668 34.834 1.877 3108691 C13NOESY >>1510 2.002 34.825 1.875 10843554 C13NOESY >>1511 1.681 34.850 1.877 3920934 C13NOESY >>1512 3.266 34.859 2.014 2843611 C13NOESY >>1513 3.264 34.893 1.876 3421440 C13NOESY >>1514 1.992 34.569 1.996 25818098 C13NOESY >>1515 1.685 34.890 2.010 3301314 C13NOESY >>1516 1.880 34.909 1.879 9799494 C13NOESY >>1517 0.897 43.620 3.263 3801411 C13NOESY >>1518 4.665 43.722 3.267 3225750 C13NOESY >>1519 2.003 43.678 3.266 6388982 C13NOESY >>1520 1.684 43.663 3.264 10514010 C13NOESY >>1521 3.262 43.681 3.266 238655312 C13NOESY >>1522 3.064 43.454 3.278 3065469 C13NOESY >>1523 2.981 43.519 3.258 3028238 C13NOESY >>1524 1.873 43.691 3.267 15794435 C13NOESY >>1525 2.274 27.244 1.706 1323148 C13NOESY >>1526 4.663 27.126 1.690 2522364 C13NOESY >>1527 4.668 27.065 1.882 2089613 C13NOESY >>1528 1.981 27.144 1.693 4159546 C13NOESY >>1529 2.005 27.076 1.885 4799660 C13NOESY >>1530 1.686 27.048 1.880 13311226 C13NOESY >>1531 3.256 27.099 1.693 4797206 C13NOESY >>1532 3.265 27.070 1.879 4745615 C13NOESY >>1533 0.934 27.341 1.711 5452394 C13NOESY >>1534 1.878 27.077 1.883 22034800 C13NOESY >>1535 1.875 27.100 1.692 21418668 C13NOESY >>1536 1.374 62.938 4.417 1167625 C13NOESY >>1537 4.671 62.928 4.416 1095255 C13NOESY >>1538 4.408 62.927 4.426 6069194 C13NOESY >>1539 2.281 62.950 4.415 5538357 C13NOESY >>1540 8.398 62.936 4.409 1431844 C13NOESY >>1541 4.869 62.944 4.414 6187958 C13NOESY >>1542 0.981 62.943 4.414 7560078 C13NOESY >>1543 1.701 32.196 2.285 1726058 C13NOESY >>1544 1.365 32.084 2.298 1378968 C13NOESY >>1545 4.411 32.123 2.291 4102848 C13NOESY >>1546 2.291 32.086 2.294 17864160 C13NOESY >>1547 1.015 32.124 2.293 7822988 C13NOESY >>1548 0.940 32.115 2.290 7937928 C13NOESY >>1549 8.413 32.199 2.298 1029565 C13NOESY >>1550 4.854 32.057 2.295 1494738 C13NOESY >>1551 4.221 22.573 1.024 3353195 C13NOESY >>1552 1.703 22.541 1.027 3343689 C13NOESY >>1553 1.367 22.556 1.023 11115251 C13NOESY >>1554 8.283 22.503 1.022 1084303 C13NOESY >>1555 3.870 22.558 1.024 8807582 C13NOESY >>1556 3.992 22.551 1.024 5120902 C13NOESY >>1557 1.858 22.516 1.025 1631264 C13NOESY >>1558 8.637 22.552 1.022 2130165 C13NOESY >>1559 4.411 22.544 1.023 7525640 C13NOESY >>1560 2.286 22.545 1.024 13307598 C13NOESY >>1561 1.019 22.555 1.024 223620544 C13NOESY >>1562 8.406 22.565 1.023 1187923 C13NOESY >>1563 4.857 22.544 1.024 3069287 C13NOESY >>1564 4.219 19.255 0.942 1561076 C13NOESY >>1565 1.864 19.247 0.941 2269706 C13NOESY >>1566 3.180 19.279 0.944 2963075 C13NOESY >>1567 1.704 19.280 0.942 7060768 C13NOESY >>1568 1.365 19.308 0.941 2420728 C13NOESY >>1569 3.872 19.281 0.942 3297662 C13NOESY >>1570 8.633 19.254 0.943 2809857 C13NOESY >>1571 4.408 19.268 0.941 3273548 C13NOESY >>1572 2.286 19.277 0.941 13651200 C13NOESY >>1573 4.855 19.274 0.942 1733133 C13NOESY >>1574 0.936 19.271 0.941 296615360 C13NOESY >>1575 0.904 55.663 4.808 1291826 C13NOESY >>1576 4.784 55.847 4.780 13382583 C13NOESY >>1577 2.721 55.594 4.790 1382276 C13NOESY >>1578 2.716 55.782 4.780 1434753 C13NOESY >>1579 4.789 34.049 2.734 1341820 C13NOESY >>1580 4.793 34.008 2.398 1290651 C13NOESY >>1581 2.720 34.026 2.408 3501091 C13NOESY >>1582 2.403 34.048 2.728 3498336 C13NOESY >>1583 1.525 34.104 2.729 2371763 C13NOESY >>1584 1.525 34.061 2.415 2047697 C13NOESY >>1585 2.388 34.215 2.392 201568384 C13NOESY >>1586 4.833 44.988 4.029 1071382 C13NOESY >>1587 4.834 45.089 3.754 1385737 C13NOESY >>1588 4.015 44.946 4.032 3076390 C13NOESY >>1589 4.044 44.975 4.017 2797614 C13NOESY >>1590 4.014 44.950 3.769 7974175 C13NOESY >>1591 3.765 44.941 4.015 8882313 C13NOESY >>1592 1.135 44.959 4.011 1123928 C13NOESY >>1593 1.127 45.016 3.764 1347171 C13NOESY >>1594 4.234 61.850 4.536 1005384 C13NOESY >>1595 1.914 61.739 4.532 2851608 C13NOESY >>1596 1.834 61.744 4.535 4526110 C13NOESY >>1597 3.176 61.753 4.534 2163339 C13NOESY >>1598 1.707 61.733 4.533 3830016 C13NOESY >>1599 0.899 61.563 4.535 2168888 C13NOESY >>1600 4.533 61.729 4.529 16727087 C13NOESY >>1601 4.637 61.738 4.534 8485376 C13NOESY >>1602 1.130 61.734 4.534 8589997 C13NOESY >>1603 1.701 69.633 4.639 1003425 C13NOESY >>1604 4.541 69.478 4.648 6325774 C13NOESY >>1605 4.642 69.482 4.645 21046966 C13NOESY >>1606 1.129 69.486 4.646 9193291 C13NOESY >>1607 1.920 21.727 1.128 1042795 C13NOESY >>1608 1.832 21.702 1.135 2351908 C13NOESY >>1609 3.180 21.688 1.136 5770860 C13NOESY >>1610 1.705 21.704 1.136 2887432 C13NOESY >>1611 0.918 21.526 1.106 3726612 C13NOESY >>1612 4.844 21.730 1.135 2724003 C13NOESY >>1613 3.777 21.737 1.137 1257328 C13NOESY >>1614 4.536 21.724 1.135 13057438 C13NOESY >>1615 4.641 21.705 1.135 19964760 C13NOESY >>1616 1.129 21.707 1.135 361744352 C13NOESY >>1617 4.879 55.206 4.592 2215496 C13NOESY >>1618 4.586 55.186 4.598 20492556 C13NOESY >>1619 2.170 55.194 4.589 4602716 C13NOESY >>1620 1.680 55.199 4.589 6982202 C13NOESY >>1621 1.532 55.228 4.587 3029702 C13NOESY >>1622 1.391 55.197 4.589 4463068 C13NOESY >>1623 4.582 32.443 2.177 3367862 C13NOESY >>1624 4.582 32.443 1.665 2917390 C13NOESY >>1625 2.173 32.443 1.665 10568489 C13NOESY >>1626 1.534 32.443 2.178 3043612 C13NOESY >>1627 1.390 32.443 2.181 2797047 C13NOESY >>1628 1.739 32.735 1.683 5476778 C13NOESY >>1629 1.668 32.443 2.176 11834947 C13NOESY >>1630 4.587 28.693 1.705 3814240 C13NOESY >>1631 2.168 28.664 1.707 2498373 C13NOESY >>1632 1.392 28.698 1.709 6460984 C13NOESY >>1633 1.539 28.677 1.706 8640864 C13NOESY >>1634 4.588 24.792 1.394 3777527 C13NOESY >>1635 2.176 24.823 1.540 4090946 C13NOESY >>1636 2.168 24.786 1.395 3492910 C13NOESY >>1637 1.536 24.805 1.394 17012452 C13NOESY >>1638 1.708 24.862 1.539 11711729 C13NOESY >>1639 0.970 44.870 4.510 2050563 C13NOESY >>1640 0.977 44.868 3.139 2596217 C13NOESY >>1641 5.411 44.909 4.516 1294563 C13NOESY >>1642 1.364 44.871 4.505 3376928 C13NOESY >>1643 1.366 44.875 3.143 3349862 C13NOESY >>1644 4.506 44.864 3.144 7872314 C13NOESY >>1645 3.143 44.889 4.505 8414035 C13NOESY >>1646 3.169 44.850 3.112 1899445 C13NOESY >>1647 5.100 52.180 4.924 1781859 C13NOESY >>1648 4.346 52.247 4.919 1727334 C13NOESY >>1649 3.913 52.117 4.925 1048670 C13NOESY >>1650 4.917 52.163 4.923 7814722 C13NOESY >>1651 1.512 52.175 4.924 3904531 C13NOESY >>1652 8.950 52.168 4.926 963710 C13NOESY >>1653 0.801 18.681 1.520 3972076 SEE_NOTE >>1654 0.477 18.707 1.521 7276995 C13NOESY >>1655 5.099 18.755 1.522 1869614 C13NOESY >>1656 4.392 18.698 1.522 1449505 C13NOESY >>1657 2.719 18.704 1.522 3695191 C13NOESY >>1658 2.409 18.704 1.519 1902227 C13NOESY >>1659 7.686 18.771 1.524 2153698 C13NOESY >>1660 4.916 18.703 1.520 8419620 C13NOESY >>1661 8.951 18.669 1.523 2050019 C13NOESY >>1662 0.959 18.753 1.511 1003792 C13NOESY >>1663 1.386 18.628 1.489 2434595 C13NOESY >>1664 1.515 18.709 1.521 124865424 C13NOESY >>1665 4.755 59.128 4.923 1193663 C13NOESY >>1666 0.757 36.263 2.256 5504072 C13NOESY >>1667 4.419 36.314 2.252 1082429 C13NOESY >>1668 4.872 36.253 2.262 2715762 C13NOESY >>1669 0.971 36.243 2.260 4244436 C13NOESY >>1670 1.368 23.308 0.977 10108343 C13NOESY >>1671 4.411 23.309 0.978 6219806 C13NOESY >>1672 4.871 23.302 0.978 7819092 C13NOESY >>1673 2.256 23.284 0.977 8560498 C13NOESY >>1674 0.709 23.256 0.977 15344276 C13NOESY >>1675 2.024 23.312 0.980 2221976 C13NOESY >>1676 0.778 23.224 1.006 16034793 C13NOESY >>1677 0.945 23.006 0.952 111207568 C13NOESY >>1678 9.042 18.025 0.703 1669330 C13NOESY >>1679 1.424 17.994 0.702 7749420 C13NOESY >>1680 0.509 18.084 0.706 4241906 C13NOESY >>1681 5.118 18.070 0.704 989402 C13NOESY >>1682 4.400 18.018 0.703 1759470 C13NOESY >>1683 2.027 18.009 0.702 1770990 C13NOESY >>1684 0.892 17.824 0.710 5318515 C13NOESY >>1685 1.636 17.953 0.697 1958966 C13NOESY >>1686 8.954 17.989 0.701 1768107 C13NOESY >>1687 4.871 18.005 0.703 3281851 C13NOESY >>1688 2.256 17.994 0.702 6488470 C13NOESY >>1689 0.970 17.997 0.703 12348951 C13NOESY >>1690 0.697 17.992 0.702 106780728 C13NOESY >>1691 0.134 54.498 5.186 1775729 C13NOESY >>1692 1.312 54.577 5.176 1837944 C13NOESY >>1693 9.569 54.573 5.169 1247371 C13NOESY >>1694 4.779 54.577 5.148 4382377 C13NOESY >>1695 0.771 54.691 5.163 3154714 C13NOESY >>1696 5.182 32.681 1.638 1063715 C13NOESY >>1697 1.638 32.670 1.534 2188636 C13NOESY >>1698 3.008 32.443 1.632 1542551 C13NOESY >>1699 0.887 44.334 3.024 1065048 C13NOESY >>1700 0.779 44.437 3.009 1700627 C13NOESY >>1701 3.255 44.408 3.083 1151096 C13NOESY >>1702 3.253 44.452 3.015 1364724 C13NOESY >>1703 1.624 44.436 3.017 1635117 C13NOESY >>1704 1.312 44.506 3.015 1226739 C13NOESY >>1705 1.522 44.452 3.009 2724530 C13NOESY >>1706 5.182 28.396 1.320 1300823 C13NOESY >>1707 5.178 28.524 1.310 1165454 C13NOESY >>1708 1.658 28.805 1.318 5084334 C13NOESY >>1709 1.639 28.392 1.532 1737456 C13NOESY >>1710 3.063 28.597 1.310 1474446 C13NOESY >>1711 3.026 28.377 1.513 1048476 C13NOESY >>1712 3.027 28.481 1.539 993704 C13NOESY >>1713 1.307 28.530 1.533 2645611 C13NOESY >>1714 1.527 28.540 1.310 4643405 C13NOESY >>1715 4.152 49.720 5.417 5397050 C13NOESY >>1716 0.768 49.731 5.419 2912955 C13NOESY >>1717 8.927 49.736 5.414 1144823 C13NOESY >>1718 0.982 49.663 5.419 1494086 C13NOESY >>1719 0.887 49.731 5.416 2387327 C13NOESY >>1720 5.417 49.724 5.419 14582105 C13NOESY >>1721 1.060 49.727 5.421 6085701 C13NOESY >>1722 8.706 49.784 5.417 1873494 C13NOESY >>1723 1.859 24.009 1.065 2213056 C13NOESY >>1724 4.147 23.970 1.064 3615089 C13NOESY >>1725 5.417 23.972 1.064 7744338 C13NOESY >>1726 8.707 23.950 1.068 1654163 C13NOESY >>1727 1.538 24.041 1.063 1144973 C13NOESY >>1728 7.051 23.945 1.065 3426860 C13NOESY >>1729 0.747 23.967 1.065 17348388 C13NOESY >>1730 5.150 23.954 1.061 1432439 C13NOESY >>1731 9.560 24.106 1.052 1343499 C13NOESY >>1732 9.435 54.991 5.167 1446252 C13NOESY >>1733 1.669 54.919 5.170 4282341 C13NOESY >>1734 0.895 33.614 1.737 2172012 C13NOESY >>1735 0.913 33.616 1.698 -9099 C13NOESY >>1736 5.162 33.568 1.747 1896559 C13NOESY >>1737 5.177 33.593 1.689 1646817 C13NOESY >>1738 1.773 33.574 1.681 3018503 C13NOESY >>1739 1.486 33.561 1.750 1869995 C13NOESY >>1740 3.215 33.588 1.743 2143380 C13NOESY >>1741 3.210 33.572 1.693 1684431 C13NOESY >>1742 1.654 33.562 1.757 4467050 C13NOESY >>1743 5.181 43.557 3.244 1234278 C13NOESY >>1744 1.496 43.495 3.202 6109838 C13NOESY >>1745 0.923 43.587 3.200 4680616 C13NOESY >>1746 1.708 43.597 3.199 15175157 C13NOESY >>1747 5.089 28.149 1.627 987188 C13NOESY >>1748 5.161 27.770 1.513 1904400 C13NOESY >>1749 1.498 27.840 1.628 7536512 C13NOESY >>1750 1.634 27.849 1.501 9518880 C13NOESY >>1751 3.211 27.811 1.500 4115549 C13NOESY >>1752 3.223 27.865 1.627 3119750 C13NOESY >>1753 5.167 27.811 1.624 1787843 C13NOESY >>1754 1.745 28.083 1.646 3386389 C13NOESY >>1755 1.616 28.014 1.649 8000550 C13NOESY >>1756 4.206 57.498 4.806 7145539 C13NOESY >>1757 4.845 41.853 2.959 3571657 C13NOESY >>1758 4.845 42.059 2.997 3571384 C13NOESY >>1759 3.271 41.778 2.977 3136368 C13NOESY >>1760 2.978 41.732 3.274 3322398 C13NOESY >>1761 3.010 41.689 3.248 1947166 C13NOESY >>1762 8.102 42.261 2.994 1057951 C13NOESY >>1763 4.838 58.591 4.251 1035997 C13NOESY >>1764 4.247 58.536 4.250 40888940 C13NOESY >>1765 2.205 58.508 4.249 10918564 C13NOESY >>1766 2.436 58.505 4.251 4803399 C13NOESY >>1767 4.245 30.278 2.212 6801276 C13NOESY >>1768 2.206 30.296 2.212 61198236 C13NOESY >>1769 2.434 30.301 2.210 16578949 C13NOESY >>1770 1.493 30.250 2.217 1360990 C13NOESY >>1771 1.503 36.515 2.441 2728339 C13NOESY >>1772 4.856 36.514 2.438 1060692 C13NOESY >>1773 4.246 36.526 2.441 5622233 C13NOESY >>1774 2.208 36.524 2.440 28823444 C13NOESY >>1775 8.136 54.812 4.515 2943056 C13NOESY >>1776 1.989 54.776 4.516 7237025 C13NOESY >>1777 1.505 54.783 4.513 5141028 C13NOESY >>1778 3.076 54.938 4.472 1421830 C13NOESY >>1779 1.815 54.786 4.516 6369915 C13NOESY >>1780 4.509 54.780 4.512 56080900 C13NOESY >>1781 4.506 34.498 1.994 4296096 C13NOESY >>1782 4.504 34.525 1.839 3329992 C13NOESY >>1783 1.991 34.531 1.837 18925444 C13NOESY >>1784 1.829 34.544 1.837 15572885 C13NOESY >>1785 3.051 34.537 1.827 1173503 C13NOESY >>1786 1.834 34.564 1.995 21518016 C13NOESY >>1787 1.505 34.553 1.995 5089044 C13NOESY >>1788 1.518 34.534 1.837 3363546 C13NOESY >>1789 4.510 29.141 1.777 2258240 C13NOESY >>1790 1.998 29.136 1.794 2221785 C13NOESY >>1791 1.769 29.117 1.776 173859808 C13NOESY >>1792 1.512 29.122 1.777 10439297 C13NOESY >>1793 3.052 29.119 1.788 8089952 C13NOESY >>1794 3.015 28.674 1.720 7841174 C13NOESY >>1795 4.520 42.220 3.059 1197960 C13NOESY >>1796 1.988 42.201 3.060 1517612 C13NOESY >>1797 1.768 42.172 3.055 21522546 C13NOESY >>1798 1.508 42.182 3.054 10610603 C13NOESY >>1799 3.051 42.177 3.055 809604608 C13NOESY >>1800 4.515 24.941 1.499 2733594 C13NOESY >>1801 4.523 24.888 1.526 3082500 C13NOESY >>1802 1.985 24.934 1.497 3938273 C13NOESY >>1803 1.985 24.907 1.524 4470876 C13NOESY >>1804 3.043 24.906 1.527 4046600 C13NOESY >>1805 8.144 45.261 3.735 1445203 C13NOESY >>1806 7.947 45.232 3.732 1026378 C13NOESY >>1807 3.729 45.212 3.733 21345616 C13NOESY >>1808 1.026 52.362 4.353 1701899 C13NOESY >>1809 4.346 52.446 4.349 17239910 C13NOESY >>1810 0.778 52.372 4.346 2235620 C13NOESY >>1811 0.061 52.370 4.353 3683570 C13NOESY >>1812 3.734 52.367 4.350 4616640 C13NOESY >>1813 3.246 52.367 4.349 3015387 C13NOESY >>1814 1.117 52.368 4.348 2285096 C13NOESY >>1815 4.336 41.543 0.774 1025666 C13NOESY >>1816 1.144 41.492 1.100 1173360 C13NOESY >>1817 1.116 41.438 0.782 2855514 C13NOESY >>1818 0.781 41.472 1.118 2324806 C13NOESY >>1819 0.735 41.714 0.747 5407957 C13NOESY >>1820 -0.086 41.452 1.111 1195016 C13NOESY >>1821 -0.087 41.475 0.778 1490722 C13NOESY >>1822 0.052 41.617 1.107 987114 C13NOESY >>1823 3.237 24.613 -0.079 1238747 C13NOESY >>1824 4.339 24.631 -0.079 1104348 C13NOESY >>1825 1.111 24.590 -0.081 3173680 C13NOESY >>1826 0.763 24.587 -0.084 2643688 C13NOESY >>1827 -0.088 24.586 -0.082 85551488 C13NOESY >>1828 0.058 24.591 -0.082 6385645 C13NOESY >>1829 1.008 24.563 -0.080 3055966 C13NOESY >>1830 2.193 23.415 0.073 1812321 C13NOESY >>1831 1.959 23.387 0.071 1828608 C13NOESY >>1832 2.986 23.448 0.073 1277052 C13NOESY >>1833 4.346 23.394 0.071 4678190 C13NOESY >>1834 0.776 23.420 0.074 3589876 C13NOESY >>1835 -0.079 23.389 0.071 8151116 C13NOESY >>1836 0.065 23.391 0.071 148309488 C13NOESY >>1837 1.012 23.404 0.070 5661247 C13NOESY >>1838 3.242 23.392 0.069 2175507 C13NOESY >>1839 3.739 23.420 0.073 1484965 C13NOESY >>1840 1.124 23.397 0.071 5534437 C13NOESY >>1841 1.124 27.118 0.998 2028104 C13NOESY >>1842 0.063 27.131 1.001 2554630 C13NOESY >>1843 4.507 62.510 4.515 21510328 C13NOESY >>1844 1.914 62.542 4.506 1554842 C13NOESY >>1845 2.111 62.510 4.518 7703543 C13NOESY >>1846 4.515 32.035 2.109 2784653 C13NOESY >>1847 3.747 32.100 2.134 996659 C13NOESY >>1848 4.349 50.272 3.738 4142733 C13NOESY >>1849 4.343 50.266 3.248 2720046 C13NOESY >>1850 0.067 50.313 3.256 1137061 C13NOESY >>1851 3.732 50.275 3.740 5696644 C13NOESY >>1852 3.739 50.264 3.256 4574272 C13NOESY >>1853 3.252 50.277 3.738 5335328 C13NOESY >>1854 2.157 50.267 3.741 2714640 C13NOESY >>1855 1.902 50.264 3.732 1529875 C13NOESY >>1856 1.926 50.258 3.253 1081041 C13NOESY >>1857 2.147 50.235 3.244 1419502 C13NOESY >>1858 3.740 27.484 2.170 1788174 C13NOESY >>1859 3.737 27.471 1.914 1744297 C13NOESY >>1860 3.235 27.433 2.168 1368406 C13NOESY >>1861 3.254 27.403 2.190 965283 C13NOESY >>1862 3.252 27.370 1.919 1698656 C13NOESY >>1863 1.915 27.447 2.171 5371950 C13NOESY >>1864 2.156 27.454 1.918 7158241 C13NOESY >>1865 3.909 46.314 3.919 9549209 C13NOESY >>1866 3.914 46.314 3.845 10492612 C13NOESY >>1867 3.854 46.307 3.923 10077426 C13NOESY >>1868 2.114 56.974 4.245 6434638 C13NOESY >>1869 2.384 56.986 4.245 5405719 C13NOESY >>1870 7.905 57.009 4.247 1184151 C13NOESY >>1871 7.356 57.005 4.248 1389797 C13NOESY >>1872 4.243 28.855 2.063 3574773 C13NOESY >>1873 2.135 28.823 2.065 18981318 C13NOESY >>1874 2.394 28.831 2.140 6044728 C13NOESY >>1875 2.385 28.798 2.062 5321034 C13NOESY >>1876 1.664 28.851 2.075 1090478 C13NOESY >>1877 4.237 28.838 2.141 3741567 C13NOESY >>1878 4.242 34.218 2.392 6558804 C13NOESY >>1879 2.122 34.219 2.391 11222381 C13NOESY >>1880 7.355 34.292 2.395 1144884 C13NOESY >>1881 4.197 52.437 4.251 3067463 C13NOESY >>1882 4.259 52.442 4.222 3994998 C13NOESY >>1883 0.506 52.450 4.233 3488793 C13NOESY >>1884 7.345 52.448 4.230 1503334 C13NOESY >>1885 4.237 19.150 0.514 2055500 C13NOESY >>1886 0.501 19.128 0.530 10764102 C13NOESY >>1887 0.510 19.143 0.506 13707222 C13NOESY >>1888 7.343 19.062 0.507 999695 C13NOESY >>1889 2.283 57.031 3.553 2063549 C13NOESY >>1890 0.752 57.146 3.558 1239073 C13NOESY >>1891 3.539 57.046 3.543 13161356 C13NOESY >>1892 3.551 57.057 3.582 6650438 C13NOESY >>1893 1.676 57.059 3.548 2897753 C13NOESY >>1894 1.362 57.050 3.551 3230547 C13NOESY >>1895 0.864 57.009 3.548 3027426 C13NOESY >>1896 1.520 57.072 3.548 1935154 C13NOESY >>1897 0.538 57.048 3.550 6646088 C13NOESY >>1898 7.359 41.144 1.684 1091745 C13NOESY >>1899 3.546 41.062 1.684 2372048 C13NOESY >>1900 3.553 41.027 1.365 2125267 C13NOESY >>1901 1.674 41.039 1.370 8161314 C13NOESY >>1902 1.367 41.032 1.682 8853237 C13NOESY >>1903 1.361 41.009 1.350 4533130 C13NOESY >>1904 0.863 41.010 1.681 3904005 C13NOESY >>1905 0.864 41.015 1.369 2575726 C13NOESY >>1906 0.551 41.019 1.682 2321498 C13NOESY >>1907 0.549 41.058 1.367 2204909 C13NOESY >>1908 1.513 41.009 1.678 3086120 C13NOESY >>1909 1.519 41.033 1.370 2214158 C13NOESY >>1910 4.354 25.170 0.873 4897314 C13NOESY >>1911 6.944 25.190 0.868 1033170 C13NOESY >>1912 3.551 25.129 0.873 5037617 C13NOESY >>1913 1.376 25.130 0.873 4602593 C13NOESY >>1914 0.552 25.129 0.871 15810161 C13NOESY >>1915 4.342 23.764 0.559 3278862 C13NOESY >>1916 3.547 23.757 0.560 3826495 C13NOESY >>1917 1.678 23.758 0.562 2374664 C13NOESY >>1918 1.368 23.756 0.559 2731221 C13NOESY >>1919 0.866 23.746 0.560 10179497 C13NOESY >>1920 0.554 23.760 0.560 118804720 C13NOESY >>1921 1.512 23.765 0.560 5285330 C13NOESY >>1922 7.358 26.945 1.523 1214632 C13NOESY >>1923 3.559 26.924 1.525 1444496 C13NOESY >>1924 1.675 26.868 1.524 3815123 C13NOESY >>1925 1.379 26.949 1.521 3777959 C13NOESY >>1926 0.556 26.927 1.523 4778148 C13NOESY >>1927 0.862 27.024 1.516 4925658 C13NOESY >>1928 0.763 45.471 3.465 2493671 C13NOESY >>1929 3.555 45.455 3.511 1387161 C13NOESY >>1930 3.458 45.494 3.463 7105946 C13NOESY >>1931 3.462 45.492 4.169 9065164 C13NOESY >>1932 4.161 45.499 3.464 8274638 C13NOESY >>1933 4.159 45.499 4.153 5769296 C13NOESY >>1934 3.774 53.269 4.719 1338713 C13NOESY >>1935 2.975 53.448 4.709 5948993 C13NOESY >>1936 8.652 53.494 4.709 2203315 C13NOESY >>1937 2.279 42.235 2.970 1020531 C13NOESY >>1938 0.730 42.173 2.974 1630330 C13NOESY >>1939 7.325 42.170 2.950 1192752 C13NOESY >>1940 8.096 42.260 2.974 1115885 C13NOESY >>1941 4.709 42.241 2.971 4190374 C13NOESY >>1942 4.708 42.215 2.993 3965157 C13NOESY >>1943 4.936 57.329 5.744 4447244 C13NOESY >>1944 0.774 57.344 5.744 2109009 C13NOESY >>1945 8.663 57.395 5.749 1060050 C13NOESY >>1946 5.740 57.321 5.743 20121072 C13NOESY >>1947 3.144 57.336 5.742 3482328 C13NOESY >>1948 2.977 57.321 5.741 3559054 C13NOESY >>1949 7.277 57.340 5.742 2480641 C13NOESY >>1950 8.750 57.356 5.740 2297514 C13NOESY >>1951 5.741 40.579 3.155 2226977 C13NOESY >>1952 5.742 40.627 2.973 1896403 C13NOESY >>1953 3.143 40.576 2.981 9424098 C13NOESY >>1954 2.971 40.583 3.151 7920587 C13NOESY >>1955 3.016 40.462 2.946 2027753 C13NOESY >>1956 7.278 40.634 3.146 1339200 C13NOESY >>1957 7.279 40.622 3.165 1323510 C13NOESY >>1958 7.274 40.556 2.981 1604928 C13NOESY >>1959 5.001 58.867 5.004 33030000 C13NOESY >>1960 2.197 58.874 5.004 6257294 C13NOESY >>1961 0.945 58.882 5.006 7257135 C13NOESY >>1962 0.518 58.869 5.003 3072584 C13NOESY >>1963 8.377 58.911 5.006 1466301 C13NOESY >>1964 5.003 35.440 2.201 4029090 C13NOESY >>1965 2.210 35.401 2.207 2937943 C13NOESY >>1966 0.944 35.427 2.205 4172928 C13NOESY >>1967 0.521 35.446 2.206 4103163 C13NOESY >>1968 8.394 35.490 2.211 1033740 C13NOESY >>1969 2.791 22.970 0.950 4134652 C13NOESY >>1970 7.321 22.984 0.950 6374656 C13NOESY >>1971 3.181 22.959 0.949 2460795 C13NOESY >>1972 5.008 22.984 0.950 13399665 C13NOESY >>1973 2.201 22.965 0.951 8447193 C13NOESY >>1974 0.519 22.986 0.950 16513134 C13NOESY >>1975 2.985 22.911 0.950 1446808 C13NOESY >>1976 3.123 18.291 0.524 2033002 C13NOESY >>1977 2.197 18.243 0.524 7098188 C13NOESY >>1978 0.943 18.241 0.524 11974959 C13NOESY >>1979 0.515 18.253 0.524 116697800 C13NOESY >>1980 5.149 18.232 0.523 2242560 C13NOESY >>1981 5.012 18.261 0.522 3654330 C13NOESY >>1982 1.493 55.136 5.113 1181916 C13NOESY >>1983 1.954 55.210 5.133 2518616 C13NOESY >>1984 1.839 55.184 5.130 4099922 C13NOESY >>1985 2.359 55.242 5.134 1405261 C13NOESY >>1986 2.084 55.191 5.139 2484219 C13NOESY >>1987 9.365 55.229 5.132 3258424 C13NOESY >>1988 0.871 55.217 5.124 1215409 C13NOESY >>1989 5.003 55.139 5.125 1128762 C13NOESY >>1990 2.731 33.454 1.874 1955636 C13NOESY >>1991 1.333 33.646 1.961 1178851 C13NOESY >>1992 5.133 33.598 1.954 2603137 C13NOESY >>1993 5.146 33.603 1.850 2466784 C13NOESY >>1994 1.946 33.554 1.851 7003512 C13NOESY >>1995 1.846 33.565 1.953 8608022 C13NOESY >>1996 2.367 33.615 1.955 2515446 C13NOESY >>1997 2.370 33.647 1.848 1925141 C13NOESY >>1998 2.086 33.545 1.955 2418347 C13NOESY >>1999 2.089 33.533 1.849 2829428 C13NOESY >>2000 2.152 33.641 1.854 1845740 C13NOESY >>2001 0.857 33.602 1.955 1686037 C13NOESY >>2002 1.485 37.236 2.090 1493186 C13NOESY >>2003 5.018 37.367 2.370 1018963 C13NOESY >>2004 5.139 37.306 2.368 3038708 C13NOESY >>2005 5.137 37.299 2.090 3401942 C13NOESY >>2006 1.952 37.293 2.370 4892588 C13NOESY >>2007 1.955 37.321 2.097 4948104 C13NOESY >>2008 1.842 37.299 2.369 4536364 C13NOESY >>2009 1.842 37.330 2.092 4672631 C13NOESY >>2010 2.365 37.313 2.369 46646784 C13NOESY >>2011 2.365 37.304 2.092 21889204 C13NOESY >>2012 2.085 37.304 2.369 24412670 C13NOESY >>2013 2.085 37.310 2.099 18807460 C13NOESY >>2014 0.833 37.313 2.367 1753226 C13NOESY >>2015 0.825 37.314 2.093 1573158 C13NOESY >>2016 9.342 60.497 4.966 834521 C13NOESY >>2017 4.969 60.524 4.972 7469108 C13NOESY >>2018 0.699 60.545 4.968 1630295 C13NOESY >>2019 1.550 60.541 4.975 1249857 C13NOESY >>2020 0.780 60.504 4.973 3013138 C13NOESY >>2021 1.423 39.250 1.822 1028626 C13NOESY >>2022 1.074 39.163 1.823 1090706 C13NOESY >>2023 9.356 39.090 1.813 1041844 C13NOESY >>2024 0.687 39.151 1.821 2785786 C13NOESY >>2025 0.779 39.173 1.828 3384543 C13NOESY >>2026 0.856 39.121 1.815 1346628 C13NOESY >>2027 0.963 14.030 0.679 2333504 C13NOESY >>2028 5.011 13.992 0.675 1093504 C13NOESY >>2029 1.830 14.058 0.684 2663023 C13NOESY >>2030 0.681 14.051 0.681 50729184 C13NOESY >>2031 0.862 14.042 0.683 8636365 C13NOESY >>2032 1.534 14.043 0.679 4138065 C13NOESY >>2033 2.025 14.022 0.682 2250082 C13NOESY >>2034 0.505 14.045 0.680 2648752 C13NOESY >>2035 0.774 14.067 0.675 7791312 C13NOESY >>2036 5.100 28.232 1.497 998772 C13NOESY >>2037 5.001 27.925 1.542 1143259 C13NOESY >>2038 0.688 28.105 0.862 4335610 C13NOESY >>2039 0.690 28.122 1.544 5428784 C13NOESY >>2040 0.858 28.048 1.541 4529017 C13NOESY >>2041 1.529 28.108 0.851 3149698 C13NOESY >>2042 0.798 27.978 1.541 4788217 C13NOESY >>2043 1.444 18.127 0.780 2028715 C13NOESY >>2044 4.987 18.136 0.778 3163523 C13NOESY >>2045 0.857 18.177 0.776 19899632 C13NOESY >>2046 1.568 18.157 0.776 6065904 C13NOESY >>2047 1.835 18.135 0.780 7490227 C13NOESY >>2048 5.159 62.146 4.407 2021644 C13NOESY >>2049 1.715 62.190 4.409 1108781 C13NOESY >>2050 2.135 62.139 4.414 1418715 C13NOESY >>2051 0.911 62.168 4.406 2604639 C13NOESY >>2052 0.812 62.119 4.414 2153025 C13NOESY >>2053 8.528 62.214 4.405 1278732 C13NOESY >>2054 4.463 62.148 4.403 1951402 C13NOESY >>2055 1.540 62.206 4.406 1135227 C13NOESY >>2056 4.412 34.147 2.153 1242919 C13NOESY >>2057 0.913 34.185 2.145 4062568 C13NOESY >>2058 0.822 34.162 2.150 3841814 C13NOESY >>2059 1.591 34.112 2.140 1846986 C13NOESY >>2060 4.412 21.463 0.919 5132901 C13NOESY >>2061 2.142 21.468 0.917 12838029 C13NOESY >>2062 8.531 21.539 0.919 1074072 C13NOESY >>2063 4.529 21.485 0.913 3035450 C13NOESY >>2064 5.158 20.412 0.820 975746 C13NOESY >>2065 1.678 20.530 0.817 4262957 C13NOESY >>2066 1.843 20.586 0.816 1377899 C13NOESY >>2067 5.000 20.457 0.812 1349476 C13NOESY >>2068 9.075 20.542 0.812 1032479 C13NOESY >>2069 4.406 20.534 0.818 3188407 C13NOESY >>2070 2.140 20.546 0.817 9843179 C13NOESY >>2071 0.815 20.569 0.815 154214288 C13NOESY >>2072 1.573 20.532 0.816 7006475 C13NOESY >>2073 0.754 20.896 0.858 4921896 C13NOESY >>2074 0.793 54.832 4.476 4935184 C13NOESY >>2075 8.519 54.878 4.480 1127032 C13NOESY >>2076 1.563 54.800 4.479 5799384 C13NOESY >>2077 4.470 42.385 1.580 2457577 C13NOESY >>2078 4.460 42.395 1.556 2027510 C13NOESY >>2079 1.579 42.403 1.538 13004295 C13NOESY >>2080 4.470 25.217 0.867 2675213 C13NOESY >>2081 1.565 25.088 0.880 20978800 C13NOESY >>2082 4.478 23.965 0.795 6902660 C13NOESY >>2083 0.797 23.930 0.803 271307424 C13NOESY >>2084 0.817 23.775 0.811 211544800 C13NOESY >>2085 1.568 23.921 0.802 12561350 C13NOESY >>2086 2.147 27.380 1.604 1269191 C13NOESY >>2087 4.472 27.503 1.582 1592067 C13NOESY >>2088 0.891 56.586 4.289 1382901 C13NOESY >>2089 1.586 56.648 4.260 1100970 C13NOESY >>2090 4.282 56.593 4.285 73772752 C13NOESY >>2091 1.966 56.585 4.282 4472128 C13NOESY >>2092 4.276 31.062 1.965 3074161 C13NOESY >>2093 4.280 31.034 1.851 2478730 C13NOESY >>2094 1.851 31.064 1.964 26478548 C13NOESY >>2095 2.155 31.040 1.851 4544677 C13NOESY >>2096 1.962 31.057 1.967 27973764 C13NOESY >>2097 1.955 31.030 1.857 19431838 C13NOESY >>2098 0.888 36.488 2.190 2319257 C13NOESY >>2099 0.964 36.530 2.127 993842 C13NOESY >>2100 4.284 36.530 2.192 1821373 C13NOESY >>2101 4.288 36.488 2.135 1648633 C13NOESY >>2102 1.961 36.555 2.188 7475004 C13NOESY >>2103 1.964 36.524 2.129 5445102 C13NOESY >>2104 1.856 36.562 2.191 5142178 C13NOESY >>2105 1.846 36.529 2.129 4009390 C13NOESY >>2106 2.173 36.534 2.129 57940112 C13NOESY >>2107 2.138 36.542 2.189 61182688 C13NOESY >>2108 4.843 132.963 6.940 710758 C13NOESY >>2109 1.910 123.043 6.998 405499 C13NOESY >>2110 4.234 114.021 7.354 917610 C13NOESY >>2111 0.787 130.765 7.047 826756 C13NOESY >>2112 4.860 118.351 6.866 2130367 C13NOESY >>2113 1.010 132.896 7.271 719060 C13NOESY >>2114 0.852 126.561 7.312 510697 C13NOESY >>2115 0.764 132.950 6.940 461650 C13NOESY >>2116 8.492 132.942 6.941 780434 C13NOESY >>2117 5.066 132.926 6.944 1578547 C13NOESY >>2118 2.874 132.986 6.940 1337055 C13NOESY >>2119 2.718 132.988 6.941 1397466 C13NOESY >>2120 6.940 132.980 6.940 24027482 C13NOESY >>2121 6.566 132.953 6.942 4908048 C13NOESY >>2122 1.752 132.937 6.940 450192 C13NOESY >>2123 2.086 133.002 6.941 323108 C13NOESY >>2124 0.541 132.902 6.939 612808 C13NOESY >>2125 0.881 133.074 6.939 515286 C13NOESY >>2126 2.731 117.989 6.568 453398 C13NOESY >>2127 6.937 117.920 6.571 5773620 C13NOESY >>2128 6.566 117.910 6.568 32483906 C13NOESY >>2129 4.854 117.937 6.570 2646487 C13NOESY >>2130 -0.071 117.907 6.571 325375 C13NOESY >>2131 0.530 117.864 6.570 699310 C13NOESY >>2132 0.875 117.950 6.569 488390 C13NOESY >>2133 5.014 126.663 7.323 1406871 C13NOESY >>2134 2.799 126.559 7.325 341883 C13NOESY >>2135 7.321 126.664 7.325 14130077 C13NOESY >>2136 11.475 126.664 7.326 2012723 C13NOESY >>2137 8.073 126.658 7.325 674160 C13NOESY >>2138 2.959 126.668 7.325 751092 C13NOESY >>2139 0.953 126.659 7.325 1707786 C13NOESY >>2140 0.684 126.546 7.312 333577 C13NOESY >>2141 3.208 120.536 7.225 513959 C13NOESY >>2142 7.218 120.628 7.226 3567228 C13NOESY >>2143 6.971 120.456 7.225 789086 C13NOESY >>2144 6.817 120.616 7.226 1400723 C13NOESY >>2145 2.209 120.478 7.226 449659 C13NOESY >>2146 1.129 120.619 7.240 495837 C13NOESY >>2147 1.955 120.582 7.225 572376 C13NOESY >>2148 6.985 122.933 6.994 7723576 C13NOESY >>2149 7.346 122.904 6.995 2186851 C13NOESY >>2150 6.834 122.948 6.995 1867211 C13NOESY >>2151 3.234 122.896 6.996 860008 C13NOESY >>2152 4.130 122.854 6.980 392042 C13NOESY >>2153 3.493 122.853 6.986 313162 C13NOESY >>2154 2.192 122.907 6.987 429264 C13NOESY >>2155 2.114 123.116 6.967 309084 C13NOESY >>2156 3.864 122.916 6.994 974513 C13NOESY >>2157 7.234 114.026 7.352 854585 C13NOESY >>2158 6.988 114.018 7.354 2940121 C13NOESY >>2159 7.350 114.040 7.355 17108348 C13NOESY >>2160 6.858 113.951 7.350 439214 C13NOESY >>2161 3.238 114.078 7.365 386396 C13NOESY >>2162 2.144 113.997 7.354 435738 C13NOESY >>2163 3.854 113.994 7.350 786166 C13NOESY >>2164 0.544 114.030 7.354 524881 C13NOESY >>2165 7.222 120.526 6.823 1518804 C13NOESY >>2166 6.984 120.502 6.825 875521 C13NOESY >>2167 6.823 120.495 6.823 3593386 C13NOESY >>2168 3.231 120.554 6.825 481959 C13NOESY >>2169 1.145 120.487 6.830 517068 C13NOESY >>2170 0.931 120.585 6.825 373954 C13NOESY >>2171 0.939 128.285 6.792 385832 C13NOESY >>2172 2.800 128.538 6.807 371600 C13NOESY >>2173 1.031 128.279 6.792 392705 C13NOESY >>2174 6.790 128.389 6.793 9948502 C13NOESY >>2175 7.039 128.371 6.795 3587455 C13NOESY >>2176 0.779 128.377 6.793 1319837 C13NOESY >>2177 2.209 131.836 7.150 599528 C13NOESY >>2178 1.956 131.895 7.148 782837 C13NOESY >>2179 1.067 131.878 7.131 267401 C13NOESY >>2180 9.439 131.948 7.139 838776 C13NOESY >>2181 4.845 132.035 7.152 640515 C13NOESY >>2182 3.274 131.868 7.144 1041523 C13NOESY >>2183 2.985 131.937 7.148 917614 C13NOESY >>2184 7.139 131.914 7.144 13837536 C13NOESY >>2185 7.054 131.926 7.144 2697686 C13NOESY >>2186 0.055 131.907 7.142 339740 C13NOESY >>2187 1.742 130.804 7.056 304935 C13NOESY >>2188 2.211 130.857 7.053 435520 C13NOESY >>2189 0.750 130.854 7.052 672837 C13NOESY >>2190 9.227 130.723 7.043 341353 C13NOESY >>2191 1.945 130.966 7.053 369492 C13NOESY >>2192 1.052 130.824 7.043 728287 C13NOESY >>2193 6.791 130.769 7.048 2657502 C13NOESY >>2194 7.131 130.928 7.055 2278750 C13NOESY >>2195 7.042 130.801 7.038 9000917 C13NOESY >>2196 1.825 132.910 7.272 533723 C13NOESY >>2197 1.607 132.876 7.279 422172 C13NOESY >>2198 1.486 132.985 7.265 771972 C13NOESY >>2199 4.926 132.890 7.271 366556 C13NOESY >>2200 0.785 133.035 7.270 788119 C13NOESY >>2201 8.652 132.960 7.269 953671 C13NOESY >>2202 5.730 132.909 7.271 1080426 C13NOESY >>2203 3.142 132.927 7.270 1220162 C13NOESY >>2204 2.985 132.962 7.269 1326307 C13NOESY >>2205 7.265 132.937 7.270 45974836 C13NOESY >>2206 6.863 132.931 7.270 10648226 C13NOESY >>2207 8.758 132.799 7.268 508992 C13NOESY >>2208 1.826 118.383 6.869 778294 C13NOESY >>2209 1.484 118.353 6.866 917572 C13NOESY >>2210 2.719 118.279 6.869 328327 C13NOESY >>2211 0.797 118.375 6.866 1949693 C13NOESY >>2212 1.020 118.387 6.866 3110498 C13NOESY >>2213 5.722 118.337 6.866 667726 C13NOESY >>2214 3.118 118.274 6.867 377035 C13NOESY >>2215 2.985 118.375 6.868 577415 C13NOESY >>2216 7.265 118.363 6.866 17988014 C13NOESY >>2217 6.864 118.355 6.867 141964160 C13NOESY >>3001 1.451 14.004 0.783 1911554 Added_Back >>3002 1.472 36.473 2.281 1300664 Added_Back >>#* >>#File History: /farm/users/dasnyder/PfR48/AutoStructureRuns/DAS.I.147/c13noesy.DAS.I.147.pks >># >>#/farm/software/AutoPeak/bin/create_peak_list.pl - C13NOESY /farm/users/dasnyder/PfR48/AutoStructureRuns/DAS.I.147/c13noesy.DAS.I.147.pks >># >># union of 148 and 148.1 peak lists >>; >> >>save_ >> ; save_ save_peak_list_4 _Saveframe_category spectral_peak_list _Details . _Experiment_label . _Number_of_spectral_dimensions . _Sample_label $sample_PfR48.NC.RX.7.85 _Sample_conditions_label $Sample_condition_list_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_4 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_4 >> _Spectral_peak_list.Entry_ID 6173 >> _Spectral_peak_list.ID 4 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_PfR48.NC.RX.7.85 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $Sample_condition_list_1 >> _Spectral_peak_list.Experiment_ID . >> _Spectral_peak_list.Experiment_name . >> _Spectral_peak_list.Number_of_spectral_dimensions . >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >>#Index 1Dim 2Dim 3Dim Intensity Workbook >>1 121.168 8.193 8.388 380775 N15_NOESY >>2 120.467 1.827 8.744 1446461 N15_NOESY >>3 122.517 0.986 7.927 869336 N15_NOESY >>4 107.942 3.899 8.340 415745 N15_NOESY >>5 122.252 1.951 8.504 808212 N15_NOESY >>6 126.915 5.167 8.504 367461 N15_NOESY >>7 115.888 2.165 7.673 229930 N15_NOESY >>8 117.311 4.470 7.886 324465 N15_NOESY >>9 117.215 4.472 7.276 302816 N15_NOESY >>10 126.093 7.989 7.988 3621219 N15_NOESY >>11 122.077 8.036 8.033 2226466 N15_NOESY >>12 119.781 8.232 8.233 1950679 N15_NOESY >>13 122.350 8.111 8.111 1902673 N15_NOESY >>14 112.641 6.864 6.685 1892481 N15_NOESY >>15 112.518 8.005 8.004 1558545 N15_NOESY >>16 120.424 4.845 7.249 1544885 N15_NOESY >>17 129.547 10.187 10.188 1389694 N15_NOESY >>18 122.129 7.772 7.768 1333563 N15_NOESY >>19 112.687 6.863 6.592 1307771 N15_NOESY >>20 112.632 7.484 7.305 1256955 N15_NOESY >>21 112.962 4.846 7.629 1176497 N15_NOESY >>22 122.241 4.845 8.502 1162296 N15_NOESY >>23 111.546 4.845 8.194 1075573 N15_NOESY >>24 122.076 8.287 8.286 986856 N15_NOESY >>25 112.677 7.487 7.664 945805 N15_NOESY >>26 112.963 4.848 6.998 942776 N15_NOESY >>27 112.679 7.485 7.214 900948 N15_NOESY >>28 112.219 6.922 6.645 896598 N15_NOESY >>29 112.666 4.846 6.865 847640 N15_NOESY >>30 112.214 4.846 7.602 835515 N15_NOESY >>31 105.993 4.838 8.139 744884 N15_NOESY >>32 112.646 7.487 6.686 738363 N15_NOESY >>33 113.729 6.929 6.927 333353 N15_NOESY >>34 112.222 4.846 6.920 639061 N15_NOESY >>35 112.678 7.485 6.591 609651 N15_NOESY >>36 126.874 5.021 9.122 584403 N15_NOESY >>37 124.086 4.845 8.540 574111 N15_NOESY >>38 122.484 7.672 9.133 560199 N15_NOESY >>39 117.285 8.123 7.946 522812 N15_NOESY >>40 125.469 3.078 8.103 521488 N15_NOESY >>41 114.337 1.011 9.218 479641 N15_NOESY >>42 117.414 8.645 8.382 470131 N15_NOESY >>43 117.925 7.630 7.456 713295 N15_NOESY >>44 129.545 7.197 8.065 461202 N15_NOESY >>45 122.343 1.705 8.436 442144 N15_NOESY >>46 112.241 7.598 6.644 405432 N15_NOESY >>47 112.887 4.847 8.281 400228 N15_NOESY >>48 124.536 4.846 8.207 396531 N15_NOESY >>49 112.266 7.600 7.420 705404 N15_NOESY >>50 122.135 8.495 8.325 372350 N15_NOESY >>51 123.517 4.849 8.132 368913 N15_NOESY >>52 115.951 4.854 7.673 1922548 N15_NOESY >># 53 124.935 4.843 8.562 982895 SEE_NOTE >>54 121.250 0.800 8.393 726856 N15_NOESY >>55 115.994 9.133 7.672 557532 N15_NOESY >>56 107.925 4.845 8.334 513267 N15_NOESY >>57 125.463 4.586 8.101 936691 N15_NOESY >>58 122.360 4.566 8.433 584722 N15_NOESY >>59 109.684 4.834 7.750 251049 N15_NOESY >>60 112.035 6.920 7.192 577396 N15_NOESY >>61 112.264 7.603 6.739 535671 N15_NOESY >>62 112.683 6.507 7.483 249595 N15_NOESY >>63 112.530 6.304 7.484 215661 N15_NOESY >>64 112.967 7.001 6.816 539661 N15_NOESY >>65 112.715 6.867 7.043 1008046 N15_NOESY >>66 112.652 7.491 7.049 344546 N15_NOESY >>67 125.345 1.563 9.253 342451 N15_NOESY >>68 119.787 5.167 8.807 2310606 N15_NOESY >>69 119.803 1.733 8.808 847933 N15_NOESY >>70 119.800 1.538 8.812 383866 N15_NOESY >>71 119.798 8.808 8.808 5874830 N15_NOESY >>72 119.761 4.677 8.805 429728 N15_NOESY >>73 119.745 2.029 8.812 526274 N15_NOESY >>74 119.723 1.446 8.813 466479 N15_NOESY >>75 119.766 1.073 8.811 548170 N15_NOESY >>76 119.796 9.344 8.808 511720 N15_NOESY >>77 119.810 4.371 8.808 210291 N15_NOESY >>78 119.800 0.857 8.808 545784 N15_NOESY >>79 119.755 0.951 8.814 526426 N15_NOESY >>80 123.831 4.672 8.865 2720765 N15_NOESY >>81 123.846 2.021 8.866 1080947 N15_NOESY >>82 123.819 8.866 8.865 8647750 N15_NOESY >>83 123.834 5.170 8.867 771477 N15_NOESY >>84 123.848 1.855 8.866 2148021 N15_NOESY >>85 123.841 1.475 8.866 784775 N15_NOESY >>86 123.851 8.671 8.866 436104 N15_NOESY >>87 123.841 0.976 8.865 1082736 N15_NOESY >>88 123.825 1.596 8.867 753167 N15_NOESY >>89 107.026 1.482 8.663 547088 N15_NOESY >>90 107.025 8.663 8.661 7044504 N15_NOESY >>91 107.015 3.127 8.661 906759 N15_NOESY >>92 107.011 0.520 8.661 1098331 N15_NOESY >>93 107.020 1.849 8.661 1189766 N15_NOESY >>94 107.021 5.167 8.661 3264135 N15_NOESY >>95 118.911 3.125 8.165 1093711 N15_NOESY >>96 118.902 5.133 8.166 1171052 N15_NOESY >>97 118.894 8.168 8.167 6137304 N15_NOESY >>98 118.890 4.892 8.165 579276 N15_NOESY >>99 118.897 1.772 8.168 1144358 N15_NOESY >>100 118.883 0.782 8.167 1744572 N15_NOESY >>101 118.888 0.515 8.170 991942 N15_NOESY >>102 118.887 9.209 8.168 606616 N15_NOESY >>103 118.838 4.842 8.169 626155 N15_NOESY >>104 118.863 1.010 8.171 427752 N15_NOESY >>105 118.925 8.661 8.167 400160 N15_NOESY >>106 126.732 4.932 8.664 1699053 N15_NOESY >>107 126.724 8.666 8.664 5142595 N15_NOESY >>108 126.669 3.769 8.665 394909 N15_NOESY >>109 126.725 2.286 8.664 1114228 N15_NOESY >>110 126.723 0.520 8.664 780286 N15_NOESY >>111 126.737 0.749 8.665 2483936 N15_NOESY >>112 128.937 3.764 9.078 1004957 N15_NOESY >>113 128.921 0.514 9.073 612438 N15_NOESY >>114 128.931 9.075 9.076 2105260 N15_NOESY >>115 128.929 4.392 9.074 356191 N15_NOESY >>116 128.950 0.768 9.078 761752 N15_NOESY >>117 128.913 1.630 9.077 448386 N15_NOESY >>118 128.892 1.481 9.080 732694 N15_NOESY >>119 128.983 7.412 9.074 505601 N15_NOESY >>120 128.955 4.857 9.075 332500 N15_NOESY >>121 108.428 9.078 7.409 937299 N15_NOESY >>122 108.464 0.782 7.411 597802 N15_NOESY >>123 108.493 1.480 7.411 1001011 N15_NOESY >>124 108.461 7.412 7.410 4407630 N15_NOESY >>125 108.436 3.785 7.407 523037 N15_NOESY >>126 108.484 8.764 7.411 415682 N15_NOESY >>127 108.461 1.752 7.412 591381 N15_NOESY >>128 108.460 0.518 7.410 827773 N15_NOESY >>129 108.422 4.371 7.406 790372 N15_NOESY >>130 121.194 4.342 8.464 1829011 N15_NOESY >>131 121.166 3.810 8.463 775154 N15_NOESY >>132 121.188 3.699 8.465 446872 N15_NOESY >>133 121.150 5.064 8.463 495657 N15_NOESY >>134 121.153 2.884 8.467 418669 N15_NOESY >>135 121.228 2.711 8.461 543861 N15_NOESY >>136 121.105 0.866 8.461 320378 N15_NOESY >>137 121.217 0.544 8.467 448886 N15_NOESY >>138 121.148 8.465 8.463 6890938 N15_NOESY >>139 124.060 4.446 8.538 400985 N15_NOESY >>140 123.988 1.801 8.545 579148 N15_NOESY >>141 124.023 5.063 8.540 1296065 N15_NOESY >>142 124.044 8.541 8.541 3172334 N15_NOESY >>143 124.029 1.484 8.541 721503 N15_NOESY >>144 124.993 4.440 8.562 1036519 N15_NOESY >>145 125.056 4.571 8.555 254159 N15_NOESY >>146 125.038 1.603 8.563 414080 N15_NOESY >>147 124.960 8.561 8.560 1576763 N15_NOESY >>148 124.967 1.794 8.559 639204 N15_NOESY >>149 124.930 1.468 8.555 289340 N15_NOESY >>150 118.069 1.815 8.490 690192 N15_NOESY >>151 118.040 1.599 8.483 460708 N15_NOESY >>152 118.079 8.490 8.487 5013149 N15_NOESY >>153 118.063 4.000 8.487 544199 N15_NOESY >>154 118.037 3.863 8.487 678540 N15_NOESY >>155 118.104 4.844 8.492 2417204 N15_NOESY >>156 118.047 4.567 8.485 2308305 N15_NOESY >>157 123.389 4.202 8.624 142058 N15_NOESY >>158 123.496 4.539 8.689 735713 N15_NOESY >>159 123.532 8.688 8.688 6818350 N15_NOESY >>160 123.510 1.850 8.687 1750655 N15_NOESY >>161 118.326 1.847 8.521 612383 N15_NOESY >>162 118.391 2.060 8.525 530057 N15_NOESY >>163 118.381 1.956 8.524 752124 N15_NOESY >>164 118.345 2.274 8.524 597189 N15_NOESY >>165 118.341 7.989 8.519 407737 N15_NOESY >>166 118.368 4.192 8.526 1197909 N15_NOESY >>167 118.315 8.521 8.516 3691868 N15_NOESY >>168 117.461 8.511 7.981 402267 N15_NOESY >>169 117.452 4.212 7.984 959981 N15_NOESY >>170 117.401 1.975 7.983 318936 N15_NOESY >>171 117.438 7.986 7.982 3296520 N15_NOESY >>172 117.471 4.681 7.983 733463 N15_NOESY >>173 117.467 2.900 7.980 415601 N15_NOESY >>174 117.489 2.736 7.988 504486 N15_NOESY >>175 112.962 4.682 7.635 249315 N15_NOESY >>176 113.102 4.692 7.002 140220 N15_NOESY >>177 112.975 2.892 7.629 939432 N15_NOESY >>178 112.943 2.894 6.997 506184 N15_NOESY >>179 112.965 2.737 7.630 964915 N15_NOESY >>180 112.984 2.742 6.997 639214 N15_NOESY >>181 112.935 7.631 7.629 12384149 N15_NOESY >>182 112.979 7.632 6.998 9459531 N15_NOESY >>183 112.972 6.999 7.629 9506804 N15_NOESY >>184 112.950 7.000 6.998 15285605 N15_NOESY >>185 119.790 4.683 8.385 474296 N15_NOESY >>186 119.797 8.385 8.380 348048 N15_NOESY >>187 119.776 4.252 8.381 346189 N15_NOESY >>188 119.826 1.848 8.379 358466 N15_NOESY >>189 119.908 2.203 8.382 252143 N15_NOESY >>190 112.630 4.224 7.484 76215 N15_NOESY >>191 112.867 4.257 6.858 76962 N15_NOESY >>192 112.737 1.842 7.484 210511 N15_NOESY >>193 112.659 7.488 7.486 33557956 N15_NOESY >>194 112.672 7.487 6.863 15022982 N15_NOESY >>195 112.674 6.866 7.485 16817246 N15_NOESY >>196 112.660 6.865 6.862 40339632 N15_NOESY >>197 112.634 2.006 7.487 238952 N15_NOESY >>198 112.669 2.192 7.486 1409739 N15_NOESY >>199 112.706 2.190 6.863 603129 N15_NOESY >>200 117.910 4.678 8.206 312455 N15_NOESY >>201 117.918 3.207 8.206 319990 N15_NOESY >>202 117.997 3.065 8.203 333451 N15_NOESY >>203 118.111 4.846 8.221 2489242 N15_NOESY >>204 118.223 4.245 8.227 983429 N15_NOESY >>205 118.273 8.231 8.229 4182092 N15_NOESY >>206 122.316 8.440 8.437 2265309 N15_NOESY >>207 111.858 4.843 6.760 459509 N15_NOESY >>208 111.860 4.841 7.407 448080 N15_NOESY >>209 111.803 2.749 6.760 745186 N15_NOESY >>210 111.813 2.746 7.408 983954 N15_NOESY >>211 111.805 6.762 6.759 8370594 N15_NOESY >>212 111.827 6.761 7.408 6028082 N15_NOESY >>213 111.831 7.409 6.759 6145280 N15_NOESY >>214 111.803 7.409 7.408 6705745 N15_NOESY >>215 112.192 6.917 6.738 1281984 N15_NOESY >>216 111.655 7.279 6.727 209231 N15_NOESY >>217 117.334 2.745 8.353 305406 N15_NOESY >>218 117.377 8.346 8.353 3476407 N15_NOESY >>219 117.324 3.142 8.351 501015 N15_NOESY >>220 117.381 4.827 8.353 1913671 N15_NOESY >>221 111.742 6.598 7.246 148677 N15_NOESY >>222 111.910 2.791 7.224 165979 N15_NOESY >>223 111.759 6.770 7.233 267926 N15_NOESY >>224 111.556 3.139 6.897 526441 N15_NOESY >>225 111.576 3.131 7.257 420483 N15_NOESY >>226 111.575 2.531 6.900 384240 N15_NOESY >>227 111.609 2.518 7.260 280842 N15_NOESY >>228 111.557 6.899 7.259 2314023 N15_NOESY >>229 111.570 7.260 6.897 3165402 N15_NOESY >>230 111.555 7.261 7.258 2065944 N15_NOESY >>231 120.900 4.558 8.332 290182 N15_NOESY >>232 120.736 4.836 8.287 1243752 N15_NOESY >>233 120.716 8.292 8.288 5352438 N15_NOESY >>234 120.744 5.093 8.288 388269 N15_NOESY >>235 120.720 1.958 8.289 928347 N15_NOESY >>236 120.706 0.919 8.286 887885 N15_NOESY >>237 123.691 0.919 9.084 535769 N15_NOESY >>238 123.681 0.778 9.084 1011056 N15_NOESY >>239 123.679 9.084 9.083 4629370 N15_NOESY >>240 123.659 1.852 9.080 386421 N15_NOESY >>241 123.691 1.744 9.088 472189 N15_NOESY >>242 123.682 9.562 9.087 397371 N15_NOESY >>243 123.677 5.086 9.083 2363200 N15_NOESY >>244 123.942 7.420 8.762 407267 N15_NOESY >>245 124.101 8.521 8.747 203726 N15_NOESY >>246 123.921 8.762 8.761 3603278 N15_NOESY >>247 123.952 4.759 8.759 211378 N15_NOESY >>248 123.970 0.124 8.762 226013 N15_NOESY >>249 123.870 0.501 8.762 449482 N15_NOESY >>250 123.931 9.078 8.781 222531 N15_NOESY >>251 123.912 5.068 8.762 1464632 N15_NOESY >>252 123.913 1.748 8.760 971674 N15_NOESY >>253 123.975 0.767 8.759 770281 N15_NOESY >>254 126.867 4.746 9.048 1706516 N15_NOESY >>255 126.979 4.877 9.048 750625 N15_NOESY >>256 126.873 1.428 9.048 1190352 N15_NOESY >>257 126.856 5.168 9.047 407339 N15_NOESY >>258 126.863 0.495 9.049 1513058 N15_NOESY >>259 127.095 9.043 9.043 6265651 N15_NOESY >>260 127.182 8.168 9.205 764605 N15_NOESY >>261 127.202 0.781 9.206 1609123 N15_NOESY >>262 127.200 9.072 9.209 750623 N15_NOESY >>263 127.186 4.874 9.206 2007244 N15_NOESY >>264 127.194 0.509 9.205 1598564 N15_NOESY >>265 127.185 9.207 9.205 5568842 N15_NOESY >>266 127.206 5.112 9.208 469537 N15_NOESY >>267 127.207 2.141 9.205 917425 N15_NOESY >>268 127.194 1.650 9.204 1188390 N15_NOESY >>269 127.171 4.376 9.209 197346 N15_NOESY >>270 127.204 1.485 9.206 773488 N15_NOESY >>271 127.785 3.125 8.865 582894 N15_NOESY >>272 127.809 5.139 8.860 610708 N15_NOESY >>273 127.795 4.819 8.865 1283572 N15_NOESY >>274 127.818 4.096 8.867 645774 N15_NOESY >>275 127.783 1.009 8.864 1216264 N15_NOESY >>276 127.803 8.863 8.863 4366607 N15_NOESY >>277 127.794 1.711 8.864 1411608 N15_NOESY >>278 114.923 4.099 8.817 1702334 N15_NOESY >>279 114.939 1.787 8.816 497166 N15_NOESY >>280 114.891 1.614 8.814 588061 N15_NOESY >>281 114.918 4.471 8.818 1751586 N15_NOESY >>282 114.892 2.969 8.819 609651 N15_NOESY >>283 114.928 2.694 8.817 636905 N15_NOESY >>284 114.933 7.006 8.818 776180 N15_NOESY >>285 114.918 1.008 8.816 737102 N15_NOESY >>286 114.910 8.821 8.819 5553572 N15_NOESY >>287 119.669 4.466 7.006 648549 N15_NOESY >>288 119.682 7.007 7.004 7400978 N15_NOESY >>289 119.682 4.143 7.006 654748 N15_NOESY >>290 119.673 1.951 7.004 1328013 N15_NOESY >>291 119.697 0.976 7.001 688367 N15_NOESY >>292 119.678 0.869 7.005 1199795 N15_NOESY >>293 119.689 8.814 7.004 1188283 N15_NOESY >>294 122.470 4.159 8.802 3125092 N15_NOESY >>295 122.433 1.985 8.796 492484 N15_NOESY >>296 122.497 0.974 8.802 1085279 N15_NOESY >>297 122.506 0.878 8.803 748863 N15_NOESY >>298 122.467 8.803 8.802 6570177 N15_NOESY >>299 122.482 5.412 8.800 720670 N15_NOESY >>300 122.472 3.112 8.802 903473 N15_NOESY >>301 122.461 2.614 8.800 1030233 N15_NOESY >>302 122.465 7.327 8.802 1935926 N15_NOESY >>303 122.467 4.848 8.803 803563 N15_NOESY >>304 117.246 3.102 7.877 619252 N15_NOESY >>305 117.286 3.106 7.275 526923 N15_NOESY >>306 117.218 2.619 7.878 941548 N15_NOESY >>307 117.243 2.616 7.274 635588 N15_NOESY >>308 117.218 7.880 7.879 5052288 N15_NOESY >>309 117.271 7.882 7.276 4941438 N15_NOESY >>310 117.260 7.277 7.879 4781891 N15_NOESY >>311 117.220 7.278 7.277 6641472 N15_NOESY >>312 117.254 4.844 7.878 405937 N15_NOESY >>313 109.574 4.158 7.329 857659 N15_NOESY >>314 109.576 0.979 7.328 2106548 N15_NOESY >>315 109.573 8.804 7.328 2440368 N15_NOESY >>316 109.587 5.416 7.328 929486 N15_NOESY >>317 109.579 7.329 7.328 15042233 N15_NOESY >>318 109.584 4.859 7.329 1628601 N15_NOESY >>319 109.594 4.354 7.328 387490 N15_NOESY >>320 109.571 3.931 7.328 579742 N15_NOESY >>321 109.574 2.165 7.331 780581 N15_NOESY >>322 109.578 1.991 7.328 1284418 N15_NOESY >>323 109.569 8.133 7.329 384659 N15_NOESY >>324 109.601 1.369 7.331 497451 N15_NOESY >>325 109.600 4.503 7.327 764486 N15_NOESY >>326 109.569 3.130 7.329 1127991 N15_NOESY >>327 123.467 7.338 8.692 330900 N15_NOESY >>328 123.502 4.861 8.688 3530398 N15_NOESY >>329 123.516 4.351 8.689 1342391 N15_NOESY >>330 123.512 3.943 8.689 1017341 N15_NOESY >>331 123.509 4.234 8.688 1076664 N15_NOESY >>332 123.533 1.919 8.689 1824268 N15_NOESY >>333 123.537 1.717 8.692 923041 N15_NOESY >>334 123.544 9.157 8.690 877544 N15_NOESY >>335 123.405 7.643 8.697 177298 N15_NOESY >>336 123.535 3.166 8.687 440684 N15_NOESY >>337 123.496 1.369 8.692 248159 N15_NOESY >>338 120.502 4.850 9.158 1739402 N15_NOESY >>339 120.529 4.356 9.155 595457 N15_NOESY >>340 120.504 8.688 9.156 1243583 N15_NOESY >>341 120.451 4.230 9.155 421253 N15_NOESY >>342 120.480 1.712 9.155 526304 N15_NOESY >>343 120.503 9.156 9.155 7488716 N15_NOESY >>344 120.501 4.003 9.156 1492402 N15_NOESY >>345 120.506 2.145 9.156 2010458 N15_NOESY >>346 120.521 2.458 9.157 557482 N15_NOESY >>347 120.491 2.280 9.157 697065 N15_NOESY >>348 120.509 7.627 9.154 1166084 N15_NOESY >>349 120.506 1.944 9.155 2315328 N15_NOESY >>350 118.247 7.330 7.622 626180 N15_NOESY >>351 118.216 4.847 7.626 981436 N15_NOESY >>352 118.206 4.367 7.627 216048 N15_NOESY >>353 118.299 9.154 7.624 1078490 N15_NOESY >>354 118.253 4.083 7.624 1423452 N15_NOESY >>355 118.280 8.133 7.625 2028691 N15_NOESY >>356 118.179 1.368 7.627 522711 N15_NOESY >>357 118.258 2.161 7.625 2258758 N15_NOESY >>358 118.226 1.983 7.625 2547315 N15_NOESY >>359 118.250 2.417 7.625 1310599 N15_NOESY >>360 118.152 2.284 7.626 1627525 N15_NOESY >>361 123.556 0.979 8.131 2194630 N15_NOESY >>362 123.592 7.330 8.130 577250 N15_NOESY >>363 123.505 4.220 8.129 812539 N15_NOESY >>364 123.538 7.627 8.130 2514283 N15_NOESY >>365 123.530 4.082 8.130 665123 N15_NOESY >>366 123.548 2.165 8.131 1000277 N15_NOESY >>367 123.542 1.990 8.130 1305078 N15_NOESY >>368 123.526 2.423 8.125 368476 N15_NOESY >>369 123.555 2.280 8.131 469460 N15_NOESY >>370 123.539 8.131 8.130 15112547 N15_NOESY >>371 123.534 3.829 8.130 1414941 N15_NOESY >>372 123.544 1.369 8.130 4137020 N15_NOESY >>373 123.551 8.287 8.132 1062957 N15_NOESY >>374 123.478 4.511 8.131 248498 N15_NOESY >>375 112.900 4.215 8.277 378926 N15_NOESY >>376 112.906 7.618 8.282 420201 N15_NOESY >>377 112.887 8.131 8.279 2222625 N15_NOESY >>378 112.904 1.366 8.280 1738579 N15_NOESY >>379 112.893 8.280 8.279 15246279 N15_NOESY >>380 112.903 3.869 8.279 2070664 N15_NOESY >>381 112.882 7.123 8.280 1677646 N15_NOESY >>382 112.856 7.873 8.281 548151 N15_NOESY >>383 112.892 4.000 8.279 3979596 N15_NOESY >>384 112.895 1.005 8.279 1567218 N15_NOESY >>385 119.079 8.280 7.120 1536211 N15_NOESY >>386 119.066 3.861 7.121 781787 N15_NOESY >>387 119.079 4.005 7.120 990199 N15_NOESY >>388 119.073 7.123 7.121 13455098 N15_NOESY >>389 119.084 4.204 7.120 1911016 N15_NOESY >>390 119.079 2.014 7.121 2049064 N15_NOESY >>391 119.069 1.853 7.120 2461896 N15_NOESY >>392 119.068 1.499 7.122 1469584 N15_NOESY >>393 119.075 1.627 7.121 2435575 N15_NOESY >>394 119.075 7.874 7.121 2047400 N15_NOESY >>395 119.061 0.743 7.116 375986 N15_NOESY >>396 118.995 6.971 7.124 596440 N15_NOESY >>397 115.669 3.841 7.870 591073 N15_NOESY >>398 115.655 7.125 7.874 1598107 N15_NOESY >>399 115.666 7.876 7.874 8421191 N15_NOESY >>400 115.665 4.151 7.874 1096568 N15_NOESY >>401 115.680 1.598 7.874 1328324 N15_NOESY >>402 115.671 0.914 7.874 1387831 N15_NOESY >>403 115.688 0.750 7.874 1164006 N15_NOESY >>404 115.667 1.771 7.874 2032619 N15_NOESY >>405 115.672 6.961 7.874 2177430 N15_NOESY >>406 115.668 2.015 7.875 1924009 N15_NOESY >>407 118.431 3.864 6.958 583357 N15_NOESY >>408 118.445 7.876 6.959 2759978 N15_NOESY >>409 118.469 4.154 6.959 681296 N15_NOESY >>410 118.455 2.007 6.959 723816 N15_NOESY >>411 118.438 6.961 6.958 14635111 N15_NOESY >>412 118.452 3.248 6.959 1133908 N15_NOESY >>413 118.439 1.871 6.958 4380338 N15_NOESY >>414 118.435 1.098 6.958 1985919 N15_NOESY >>415 118.441 1.612 6.958 2866182 N15_NOESY >>416 118.446 0.898 6.959 3418591 N15_NOESY >>417 118.442 0.765 6.959 950248 N15_NOESY >>418 115.963 3.249 8.874 1576294 N15_NOESY >>419 115.966 0.892 8.874 1308569 N15_NOESY >>420 115.958 8.878 8.876 3602460 N15_NOESY >>421 115.969 4.519 8.874 1027596 N15_NOESY >>422 115.972 3.614 8.877 1117468 N15_NOESY >>423 115.949 7.941 8.872 819573 N15_NOESY >>424 115.960 2.178 8.871 536146 N15_NOESY >>425 115.965 0.770 8.876 874478 N15_NOESY >>426 118.633 3.259 7.938 771193 N15_NOESY >>427 118.610 8.867 7.938 1141755 N15_NOESY >>428 118.638 3.605 7.939 521055 N15_NOESY >>429 118.624 7.939 7.938 9730983 N15_NOESY >>430 118.632 2.152 7.938 1763544 N15_NOESY >>431 118.626 1.878 7.939 1371548 N15_NOESY >>432 118.628 1.682 7.939 1809262 N15_NOESY >>433 118.602 8.696 7.935 439752 N15_NOESY >>434 118.624 0.777 7.938 1971896 N15_NOESY >>435 118.632 4.493 7.939 1493550 N15_NOESY >>436 121.242 7.934 8.397 328697 N15_NOESY >>437 121.269 4.478 8.396 2035367 N15_NOESY >>438 121.271 2.119 8.396 1053007 N15_NOESY >>439 121.348 1.895 8.400 532172 N15_NOESY >>440 121.269 8.396 8.396 5908068 N15_NOESY >>441 121.290 1.627 8.396 2025843 N15_NOESY >>442 121.182 0.995 8.394 340877 N15_NOESY >>443 121.310 0.872 8.399 613482 N15_NOESY >>444 120.818 4.779 8.189 2574424 N15_NOESY >>445 120.836 1.607 8.189 1391279 N15_NOESY >>446 120.828 1.008 8.189 1170962 N15_NOESY >>447 120.811 8.191 8.190 7417873 N15_NOESY >>448 120.830 5.058 8.192 558298 N15_NOESY >>449 120.810 1.393 8.189 1109902 N15_NOESY >>450 120.821 9.226 8.188 824628 N15_NOESY >>451 120.819 5.121 8.191 606789 N15_NOESY >>452 120.813 0.754 8.190 1274170 N15_NOESY >>453 124.819 5.030 9.322 2693443 N15_NOESY >>454 124.882 5.361 9.320 509602 N15_NOESY >>455 124.865 1.342 9.321 685962 N15_NOESY >>456 124.677 9.334 9.331 7896832 N15_NOESY >>457 124.767 1.566 9.326 1368991 N15_NOESY >>458 124.616 1.831 9.337 1805894 N15_NOESY >>459 124.802 0.818 9.324 2025338 N15_NOESY >>460 125.400 5.362 9.250 2649528 N15_NOESY >>461 125.360 1.335 9.251 676875 N15_NOESY >>462 125.368 1.867 9.251 554078 N15_NOESY >>463 125.398 9.250 9.250 6837898 N15_NOESY >>464 125.379 5.019 9.251 701739 N15_NOESY >>465 125.374 2.795 9.249 723474 N15_NOESY >>466 125.406 3.182 9.249 879697 N15_NOESY >>467 125.386 0.848 9.250 1768433 N15_NOESY >>468 125.393 9.558 9.248 348915 N15_NOESY >>469 125.357 2.186 9.252 319331 N15_NOESY >>470 133.901 11.471 11.456 5244102 N15_NOESY >>471 133.892 2.972 11.453 937633 N15_NOESY >>472 133.934 0.506 11.459 445671 N15_NOESY >>473 133.896 7.330 11.449 618463 N15_NOESY >>474 129.531 5.016 8.064 3121769 N15_NOESY >>475 129.556 2.794 8.062 325685 N15_NOESY >>476 129.547 3.188 8.064 288638 N15_NOESY >>477 129.532 8.064 8.063 9399694 N15_NOESY >>478 129.526 4.305 8.064 622310 N15_NOESY >>479 129.535 1.526 8.064 1674372 N15_NOESY >>480 129.540 1.314 8.063 1324073 N15_NOESY >>481 129.494 0.961 8.064 566945 N15_NOESY >>482 129.512 0.824 8.065 419543 N15_NOESY >>483 124.506 7.244 8.207 404679 N15_NOESY >>484 124.537 4.304 8.209 3026148 N15_NOESY >>485 124.524 1.550 8.206 630834 N15_NOESY >>486 124.552 1.320 8.207 438939 N15_NOESY >>487 124.544 1.167 8.210 506297 N15_NOESY >>488 124.515 1.021 8.207 660662 N15_NOESY >>489 124.533 8.208 8.208 7828120 N15_NOESY >>490 124.550 3.234 8.208 764433 N15_NOESY >>491 124.554 4.107 8.208 655611 N15_NOESY >>492 124.553 3.491 8.209 1175022 N15_NOESY >>493 124.585 3.858 8.207 383977 N15_NOESY >>494 124.529 4.663 8.208 638076 N15_NOESY >>495 124.537 0.814 8.209 439857 N15_NOESY >>496 124.494 9.548 8.206 362474 N15_NOESY >>497 111.550 1.198 8.194 377500 N15_NOESY >>498 111.530 7.769 8.192 441425 N15_NOESY >>499 111.556 8.196 8.194 17166764 N15_NOESY >>500 111.563 3.308 8.193 3547557 N15_NOESY >>501 111.562 4.362 8.194 3169024 N15_NOESY >>502 111.562 7.250 8.193 3011341 N15_NOESY >>503 111.577 1.587 8.194 526126 N15_NOESY >>504 120.427 8.198 7.247 3815915 N15_NOESY >>505 120.427 3.308 7.247 1074015 N15_NOESY >>506 120.427 4.350 7.247 1203073 N15_NOESY >>507 120.422 7.249 7.247 21063630 N15_NOESY >>508 120.420 4.243 7.246 1995958 N15_NOESY >>509 120.419 1.630 7.247 4509586 N15_NOESY >>510 120.432 1.408 7.247 1114398 N15_NOESY >>511 120.396 1.320 7.247 893327 N15_NOESY >>512 120.476 8.718 7.247 477690 N15_NOESY >>513 125.594 4.240 8.717 5067129 N15_NOESY >>514 125.589 1.338 8.714 477558 N15_NOESY >>515 125.592 8.718 8.717 11827589 N15_NOESY >>516 125.591 4.665 8.717 758863 N15_NOESY >>517 125.597 1.873 8.717 3112863 N15_NOESY >>518 125.595 0.827 8.717 1426006 N15_NOESY >>519 125.586 1.088 8.718 1154526 N15_NOESY >>520 125.595 1.624 8.717 2324710 N15_NOESY >>521 131.570 9.250 9.556 692564 N15_NOESY >>522 131.573 4.298 9.555 567592 N15_NOESY >>523 131.573 4.663 9.554 2633608 N15_NOESY >>524 131.574 0.834 9.553 1619422 N15_NOESY >>525 131.566 9.556 9.554 6709763 N15_NOESY >>526 131.561 4.927 9.553 472749 N15_NOESY >>527 131.560 2.189 9.554 998145 N15_NOESY >>528 131.575 1.093 9.554 736212 N15_NOESY >>529 131.585 8.725 9.557 507713 N15_NOESY >>530 131.569 1.953 9.553 1273962 N15_NOESY >>531 120.506 0.858 8.747 515672 N15_NOESY >>532 120.465 4.927 8.743 2749744 N15_NOESY >>533 120.451 2.198 8.743 524566 N15_NOESY >>534 120.473 1.960 8.747 1274021 N15_NOESY >>535 120.458 1.052 8.746 735174 N15_NOESY >>536 120.492 8.748 8.747 9871423 N15_NOESY >>537 120.475 5.463 8.748 598452 N15_NOESY >>538 120.483 1.730 8.745 1553486 N15_NOESY >>539 120.470 1.339 8.740 463156 N15_NOESY >>540 120.453 1.519 8.745 972557 N15_NOESY >>541 114.391 8.192 9.218 652482 N15_NOESY >>542 114.346 1.375 9.219 570459 N15_NOESY >>543 114.368 5.462 9.219 2464160 N15_NOESY >>544 114.402 1.714 9.218 724009 N15_NOESY >>545 114.372 9.221 9.219 6641785 N15_NOESY >>546 114.369 4.339 9.220 792490 N15_NOESY >>547 114.375 1.932 9.219 897215 N15_NOESY >>548 114.393 0.848 9.219 655063 N15_NOESY >>549 118.863 0.754 8.011 566341 N15_NOESY >>550 118.861 4.340 8.012 1884159 N15_NOESY >>551 118.872 1.937 8.013 1702664 N15_NOESY >>552 118.854 8.015 8.012 13381143 N15_NOESY >>553 118.849 5.143 8.011 1098386 N15_NOESY >>554 118.861 1.563 8.012 2737349 N15_NOESY >>555 118.823 1.218 8.017 582151 N15_NOESY >>556 118.875 1.053 8.011 670129 N15_NOESY >>557 118.881 4.845 8.014 654144 N15_NOESY >>558 118.859 8.693 8.012 1529555 N15_NOESY >>559 124.536 4.766 8.691 250075 N15_NOESY >>560 124.391 5.141 8.695 2077557 N15_NOESY >>561 124.419 1.216 8.697 728315 N15_NOESY >>562 124.350 8.693 8.691 4445434 N15_NOESY >>563 124.451 4.142 8.691 465011 N15_NOESY >>564 124.396 2.175 8.697 1110431 N15_NOESY >>565 124.377 1.625 8.693 1066437 N15_NOESY >>566 124.382 0.761 8.694 1969005 N15_NOESY >>567 122.673 4.144 8.933 1335196 N15_NOESY >>568 122.666 0.768 8.933 1087788 N15_NOESY >>569 122.659 8.934 8.933 3129360 N15_NOESY >>570 122.676 4.652 8.934 567406 N15_NOESY >>571 122.666 0.885 8.934 1661967 N15_NOESY >>572 122.673 7.630 8.933 1368726 N15_NOESY >>573 122.667 5.410 8.935 702070 N15_NOESY >>574 122.634 8.691 8.943 468819 N15_NOESY >>575 122.595 1.652 8.934 418103 N15_NOESY >>576 117.690 0.771 7.630 1957831 N15_NOESY >>577 117.675 8.933 7.629 2963651 N15_NOESY >>578 117.700 0.889 7.629 3268526 N15_NOESY >>579 117.666 8.662 7.628 620494 N15_NOESY >>580 117.691 1.540 7.632 766216 N15_NOESY >>581 117.622 5.412 7.631 425767 N15_NOESY >>582 117.890 7.630 7.627 15725113 N15_NOESY >>583 117.681 4.658 7.630 1781533 N15_NOESY >>584 117.734 1.878 7.629 1254545 N15_NOESY >>585 117.723 1.651 7.628 1050914 N15_NOESY >>586 117.621 7.638 8.649 392804 N15_NOESY >>587 117.537 4.667 8.647 3801480 N15_NOESY >>588 117.626 1.993 8.647 964462 N15_NOESY >>589 117.597 1.879 8.647 2214069 N15_NOESY >>590 117.591 1.684 8.647 845318 N15_NOESY >>591 117.392 8.646 8.644 14196599 N15_NOESY >>592 117.605 4.407 8.646 697349 N15_NOESY >>593 117.593 2.284 8.647 946258 N15_NOESY >>594 117.518 8.419 8.647 517927 N15_NOESY >>595 117.601 0.936 8.647 4154300 N15_NOESY >>596 124.036 4.406 8.397 1875110 N15_NOESY >>597 124.043 2.283 8.397 1600224 N15_NOESY >>598 124.048 0.976 8.397 1500852 N15_NOESY >>599 124.037 8.397 8.396 6056519 N15_NOESY >>600 124.051 2.719 8.394 936244 N15_NOESY >>601 124.064 2.399 8.399 777634 N15_NOESY >>602 124.038 4.852 8.397 1975910 N15_NOESY >>603 124.076 0.739 8.397 255119 N15_NOESY >>604 124.048 9.044 8.397 390395 N15_NOESY >>605 124.079 8.643 8.399 223118 N15_NOESY >>606 124.058 1.516 8.398 570922 N15_NOESY >>607 114.954 4.833 8.618 2324976 N15_NOESY >>608 114.956 8.616 8.615 1264943 N15_NOESY >>609 114.967 4.016 8.619 700937 N15_NOESY >>610 114.962 3.772 8.617 949563 N15_NOESY >>611 111.112 4.844 8.946 1228971 N15_NOESY >>612 111.093 4.020 8.940 488780 N15_NOESY >>613 111.125 3.766 8.944 469818 N15_NOESY >>614 111.077 8.943 8.940 578499 N15_NOESY >>615 111.151 4.529 8.941 229870 N15_NOESY >>616 111.088 1.139 8.942 302961 N15_NOESY >>617 111.069 9.139 8.941 317655 N15_NOESY >>618 122.505 8.946 9.132 835801 N15_NOESY >>619 122.492 9.134 9.133 6400848 N15_NOESY >>620 122.472 2.173 9.132 865216 N15_NOESY >>621 122.492 1.673 9.133 1583582 N15_NOESY >>622 122.507 1.535 9.131 767432 N15_NOESY >>623 122.510 1.384 9.134 658511 N15_NOESY >>624 122.498 7.991 9.132 1477368 N15_NOESY >>625 122.478 4.570 9.132 1152962 N15_NOESY >>626 106.870 1.377 7.988 570485 N15_NOESY >>627 106.884 0.978 7.992 382320 N15_NOESY >>628 106.881 9.133 7.989 1380776 N15_NOESY >>629 106.869 7.991 7.989 6203726 N15_NOESY >>630 106.879 4.517 7.989 1297975 N15_NOESY >>631 106.884 3.138 7.988 1295496 N15_NOESY >>632 106.882 7.673 7.989 1850306 N15_NOESY >>633 106.856 1.526 7.988 518783 N15_NOESY >>634 115.941 0.987 7.674 385567 N15_NOESY >>635 115.940 1.374 7.676 323357 N15_NOESY >>636 115.943 7.992 7.672 2026615 N15_NOESY >>637 115.932 4.510 7.672 667354 N15_NOESY >>638 115.955 3.136 7.673 610843 N15_NOESY >>639 115.949 7.673 7.673 11750758 N15_NOESY >>640 115.948 1.522 7.672 3579647 N15_NOESY >>641 115.927 8.947 7.674 342557 N15_NOESY >>642 108.602 0.495 8.947 414932 N15_NOESY >>643 108.590 5.116 8.958 268182 N15_NOESY >>644 108.629 4.386 8.953 455632 N15_NOESY >>645 108.600 1.522 8.948 1741608 N15_NOESY >>646 108.594 8.951 8.948 5510644 N15_NOESY >>647 108.595 0.971 8.948 728345 N15_NOESY >>648 108.595 0.703 8.948 1676748 N15_NOESY >>649 108.595 4.900 8.948 1765648 N15_NOESY >>650 118.434 0.755 9.041 1073174 N15_NOESY >>651 118.435 7.630 9.044 587358 N15_NOESY >>652 118.414 4.407 9.042 476857 N15_NOESY >>653 118.468 8.398 9.045 399975 N15_NOESY >>654 118.433 4.869 9.044 1477778 N15_NOESY >>655 118.443 2.261 9.043 1656268 N15_NOESY >>656 118.419 0.968 9.043 958442 N15_NOESY >>657 118.440 9.043 9.043 5631099 N15_NOESY >>658 118.441 5.166 9.045 487689 N15_NOESY >>659 118.426 1.528 9.043 1124440 N15_NOESY >>660 118.415 1.624 9.043 839669 N15_NOESY >>661 126.497 0.765 9.559 927332 N15_NOESY >>662 126.519 4.746 9.562 306770 N15_NOESY >>663 126.491 5.169 9.558 2300369 N15_NOESY >>664 126.485 9.558 9.557 6276034 N15_NOESY >>665 126.469 5.405 9.559 388146 N15_NOESY >>666 126.495 1.055 9.557 1322226 N15_NOESY >>667 126.491 9.070 9.561 875439 N15_NOESY >>668 126.504 1.522 9.557 575208 N15_NOESY >>669 122.294 0.763 8.688 402744 N15_NOESY >>670 122.309 8.014 8.692 1177083 N15_NOESY >>671 122.343 4.148 8.692 749507 N15_NOESY >>672 122.303 0.902 8.691 1006374 N15_NOESY >>673 122.314 5.406 8.692 2480186 N15_NOESY >>674 122.305 1.045 8.692 1446092 N15_NOESY >>675 122.292 8.692 8.692 7112925 N15_NOESY >>676 122.305 5.159 8.691 712094 N15_NOESY >>677 122.286 1.712 8.692 1495006 N15_NOESY >>678 128.782 5.159 9.438 1633338 N15_NOESY >>679 128.789 1.648 9.432 506964 N15_NOESY >>680 128.781 9.437 9.437 3793548 N15_NOESY >>681 128.784 4.844 9.437 661383 N15_NOESY >>682 128.805 3.263 9.436 541726 N15_NOESY >>683 128.757 2.969 9.439 672192 N15_NOESY >>684 128.763 7.064 9.437 411574 N15_NOESY >>685 121.224 4.848 8.972 1479519 N15_NOESY >>686 121.208 8.973 8.972 1110446 N15_NOESY >>687 121.222 4.247 8.968 442399 N15_NOESY >>688 121.207 2.210 8.972 850277 N15_NOESY >>689 121.179 2.440 8.965 592269 N15_NOESY >>690 117.272 4.843 8.125 1705934 N15_NOESY >>691 117.267 3.274 8.122 656885 N15_NOESY >>692 117.271 2.967 8.125 371627 N15_NOESY >>693 117.245 8.970 8.121 684262 N15_NOESY >>694 117.263 4.242 8.122 1131687 N15_NOESY >>695 117.261 2.209 8.122 1667283 N15_NOESY >>696 117.267 2.444 8.124 645997 N15_NOESY >>697 117.268 4.519 8.123 1467353 N15_NOESY >>698 117.259 1.989 8.123 1032192 N15_NOESY >>699 117.260 1.828 8.122 1663632 N15_NOESY >>700 117.252 1.506 8.122 1184271 N15_NOESY >>701 117.260 8.125 8.123 14162164 N15_NOESY >>702 105.972 4.517 8.137 2981728 N15_NOESY >>703 105.987 1.993 8.138 1111482 N15_NOESY >>704 105.979 1.824 8.138 946608 N15_NOESY >>705 105.964 1.500 8.137 435597 N15_NOESY >>706 105.965 3.734 8.138 3120654 N15_NOESY >>707 105.965 7.931 8.137 712029 N15_NOESY >>708 105.963 8.138 8.137 10707088 N15_NOESY >>709 122.545 3.732 7.924 2367083 N15_NOESY >>710 122.366 7.919 7.913 6714696 N15_NOESY >>711 122.526 4.319 7.922 553951 N15_NOESY >>712 122.536 1.097 7.923 983820 N15_NOESY >>713 122.521 0.767 7.922 609594 N15_NOESY >>714 122.565 0.060 7.921 413433 N15_NOESY >>715 107.951 4.526 8.352 378661 N15_NOESY >>716 107.973 2.126 8.343 255573 N15_NOESY >>717 107.934 8.342 8.340 781496 N15_NOESY >>718 118.280 3.879 8.231 971062 N15_NOESY >>719 118.308 2.395 8.230 642131 N15_NOESY >>720 118.302 7.906 8.224 475023 N15_NOESY >>721 118.286 2.102 8.230 1353712 N15_NOESY >>722 112.355 2.841 6.902 125784 N15_NOESY >>723 112.200 6.554 7.601 240322 N15_NOESY >>724 112.258 4.253 6.911 85193 N15_NOESY >>725 112.133 2.128 7.596 208533 N15_NOESY >>726 112.212 2.163 6.918 185494 N15_NOESY >>727 112.217 7.603 7.600 18029932 N15_NOESY >>728 112.223 7.601 6.918 11122126 N15_NOESY >>729 112.220 6.922 7.601 10006978 N15_NOESY >>730 112.199 6.920 6.918 28735780 N15_NOESY >>731 112.193 2.395 7.601 1013954 N15_NOESY >>732 112.241 2.392 6.921 431028 N15_NOESY >>733 112.585 0.472 6.929 179542 N15_NOESY >>734 111.916 7.395 7.592 320955 N15_NOESY >>735 121.970 2.130 7.897 376412 N15_NOESY >>736 122.163 7.904 7.902 7379301 N15_NOESY >>737 122.013 0.506 7.898 1612170 N15_NOESY >>738 122.026 7.346 7.899 1258877 N15_NOESY >>739 122.029 4.234 7.898 1874831 N15_NOESY >>740 117.404 7.900 7.341 1163858 N15_NOESY >>741 117.401 4.225 7.344 936521 N15_NOESY >>742 117.400 7.346 7.344 8731482 N15_NOESY >>743 117.377 3.548 7.343 753050 N15_NOESY >>744 117.417 1.676 7.344 1781730 N15_NOESY >>745 117.410 1.367 7.344 1198341 N15_NOESY >>746 117.430 0.872 7.344 629576 N15_NOESY >>747 117.400 1.524 7.344 1362924 N15_NOESY >>748 117.416 0.528 7.342 1108471 N15_NOESY >>749 113.114 3.531 8.717 483699 N15_NOESY >>750 113.078 8.710 8.707 610819 N15_NOESY >>751 113.022 4.199 8.738 200366 N15_NOESY >>752 113.145 8.096 8.720 237615 N15_NOESY >>753 112.995 0.536 8.707 211685 N15_NOESY >>754 120.642 2.285 8.091 1632082 N15_NOESY >>755 120.654 0.526 8.092 930908 N15_NOESY >>756 120.638 0.743 8.091 1333393 N15_NOESY >>757 120.656 11.470 8.095 241929 N15_NOESY >>758 120.649 3.516 8.091 1081338 N15_NOESY >>759 120.625 4.184 8.091 978768 N15_NOESY >>760 120.643 8.093 8.091 14212249 N15_NOESY >>761 120.648 4.710 8.091 1407333 N15_NOESY >>762 120.645 2.965 8.091 3704984 N15_NOESY >>763 120.633 8.681 8.092 1701349 N15_NOESY >>764 116.944 0.774 8.638 422856 N15_NOESY >>765 116.954 8.090 8.636 571670 N15_NOESY >>766 117.067 4.707 8.637 4435326 N15_NOESY >>767 117.142 8.639 8.639 15368702 N15_NOESY >>768 117.014 5.727 8.637 890800 N15_NOESY >>769 116.997 3.139 8.636 1598762 N15_NOESY >>770 116.969 7.237 8.639 418917 N15_NOESY >>771 116.996 2.974 8.636 4521705 N15_NOESY >>772 111.248 0.765 8.746 630621 N15_NOESY >>773 111.269 5.727 8.744 2599029 N15_NOESY >>774 111.276 3.144 8.743 956537 N15_NOESY >>775 111.293 2.975 8.745 654755 N15_NOESY >>776 111.275 8.742 8.743 6141889 N15_NOESY >>777 111.266 4.986 8.745 804331 N15_NOESY >>778 111.255 0.944 8.742 621979 N15_NOESY >>779 111.282 0.521 8.743 1900577 N15_NOESY >>780 118.548 1.347 8.376 203533 N15_NOESY >>781 118.493 5.003 8.379 1922691 N15_NOESY >>782 118.500 2.203 8.378 1495009 N15_NOESY >>783 118.475 0.936 8.377 720888 N15_NOESY >>784 118.524 0.526 8.382 595293 N15_NOESY >>785 118.501 8.380 8.378 4964782 N15_NOESY >>786 118.509 1.952 8.384 701287 N15_NOESY >>787 118.487 1.844 8.382 726122 N15_NOESY >>788 118.512 2.376 8.383 335983 N15_NOESY >>789 118.503 9.324 8.381 689908 N15_NOESY >>790 118.506 0.799 8.376 515458 N15_NOESY >>791 124.538 8.798 9.344 589156 N15_NOESY >>792 124.822 8.373 9.325 721135 N15_NOESY >>793 124.678 2.096 9.338 413302 N15_NOESY >>794 124.674 9.058 9.348 378776 N15_NOESY >>795 124.514 5.136 9.344 2433624 N15_NOESY >>796 127.291 8.413 9.035 273092 N15_NOESY >>797 127.355 4.951 9.037 1266337 N15_NOESY >>798 127.293 1.570 9.034 534615 N15_NOESY >>799 127.339 4.372 9.038 338418 N15_NOESY >>800 127.348 2.138 9.036 932458 N15_NOESY >>801 127.311 0.806 9.037 2011888 N15_NOESY >>802 126.926 9.044 8.509 211727 N15_NOESY >>803 126.897 4.379 8.504 2094230 N15_NOESY >>804 126.878 2.126 8.503 571642 N15_NOESY >>805 126.879 0.908 8.504 1103924 N15_NOESY >>806 126.864 8.506 8.505 6675482 N15_NOESY >>807 126.875 1.562 8.505 2371826 N15_NOESY >>808 126.874 0.834 8.504 1028202 N15_NOESY >>809 122.231 4.478 8.502 1949015 N15_NOESY >>810 122.214 0.815 8.501 666300 N15_NOESY >>811 122.224 1.566 8.500 1103822 N15_NOESY >>812 122.252 4.294 8.501 691115 N15_NOESY >>813 122.234 1.848 8.502 1104513 N15_NOESY >>814 122.218 2.159 8.502 553565 N15_NOESY >>815 122.233 8.506 8.503 8733018 N15_NOESY >>816 125.469 8.104 8.102 10369800 N15_NOESY >>#* >># >># Notes: >># >># Removed peak (#53) never assigned in p. 144.6 run but which becomes assigned then >># unassigned in p. 147 run - didn't look so bad, but not so good either >># >># Previous history: >># >>#File History: /farm/users/dasnyder/PfR48/AutoStructureRuns/DAS.I.147/n15noesy.DAS.I.147.pks >># >>#/farm/software/AutoPeak/bin/concatenate.pl /farm/users/dasnyder/PfR48/AutoStructureRuns/DAS.I.147/n15noesy.DAS.I.147.pks - n15noesy.high.dups.pks n15noesy.non.dups.pks >># >># >># >>#Comments: n15noesy.high.dups.pks >>#-------------------------------------------------------------------------------- >>#File History: n15noesy.high.dups.pks >># >>#/farm/software/AutoPeak/bin/extract_duplicates.pl n15noesy.pks high - n15noesy.high.dups.pks 0.01 0.01 0.01 >># >>#/farm/software/AutoPeak/bin/create_peak_list.pl - N15_NOESY n15noesy.pks >># >># >>#Comments: n15noesy.non.dups.pks >>#-------------------------------------------------------------------------------- >>#File History: n15noesy.non.dups.pks >># >>#/farm/software/AutoPeak/bin/extract_duplicates.pl n15noesy.pks exc - n15noesy.non.dups.pks 0.01 0.01 0.01 >># >>#/farm/software/AutoPeak/bin/create_peak_list.pl - N15_NOESY n15noesy.pks >># >># >>; >> >>save_ >> ; save_