data_15338 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of Protein YfgJ from Salmonella Typhimurium. Northeast Structural Genomics Target StR86. ; _BMRB_accession_number 15338 _BMRB_flat_file_name bmr15338.str _Entry_type original _Submission_date 2007-06-28 _Accession_date 2007-06-28 _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 Ding Keyang . . 2 Ramelot Theresa A. . 3 Cort John R. . 4 Wang Huang . . 5 Nwosu Chioma . . 6 Cunningham Kellie . . 7 Owens Leah . . 8 Ma Li-Chung . . 9 Xiao Rong . . 10 Liu Jinfeng . . 11 Baran Michael C. . 12 Swapna Gurla V.T. . 13 Acton Thomas B. . 14 Rost Burkhard . . 15 Montelione Gaetano T. . 16 Kennedy Michael A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 spectral_peak_list 4 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 430 "13C chemical shifts" 330 "15N chemical shifts" 74 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-06-19 update BMRB 'added time domain data' 2007-08-02 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR Structure of Protein YfgJ from Salmonella Typhimurium.' _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 Ding Keyang . . 2 Ramelot Theresa A. . 3 Cort John R. . 4 Wang Huang . . 5 Nwosu Chioma . . 6 Cunningham Kellie . . 7 Owens Leah . . 8 Ma Li-Chung . . 9 Xiao Rong . . 10 Liu Jinfeng . . 11 Baran Michael C. . 12 Swapna Gurla V.T. . 13 Acton Thomas B. . 14 Rost Burkhard . . 15 Montelione Gaetano T. . 16 Kennedy Michael A. . 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_assembly _Saveframe_category molecular_system _Mol_system_name 'YfgJ monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label protein $protein 'Zinc ion, 1' $ZN 'Zinc ion, 2' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common protein _Molecular_mass 9164.535 _Mol_thiol_state 'one free and seven bound to zinc' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 81 _Mol_residue_sequence ; MEITCPVCHHALERNGDTAH CETCAKDFSLQALCPDCRQP LQVLKACGAVDYFCQNGHGL ISKKRVNFVISDQLEHHHHH H ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 ILE 4 THR 5 CYS 6 PRO 7 VAL 8 CYS 9 HIS 10 HIS 11 ALA 12 LEU 13 GLU 14 ARG 15 ASN 16 GLY 17 ASP 18 THR 19 ALA 20 HIS 21 CYS 22 GLU 23 THR 24 CYS 25 ALA 26 LYS 27 ASP 28 PHE 29 SER 30 LEU 31 GLN 32 ALA 33 LEU 34 CYS 35 PRO 36 ASP 37 CYS 38 ARG 39 GLN 40 PRO 41 LEU 42 GLN 43 VAL 44 LEU 45 LYS 46 ALA 47 CYS 48 GLY 49 ALA 50 VAL 51 ASP 52 TYR 53 PHE 54 CYS 55 GLN 56 ASN 57 GLY 58 HIS 59 GLY 60 LEU 61 ILE 62 SER 63 LYS 64 LYS 65 ARG 66 VAL 67 ASN 68 PHE 69 VAL 70 ILE 71 SER 72 ASP 73 GLN 74 LEU 75 GLU 76 HIS 77 HIS 78 HIS 79 HIS 80 HIS 81 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-25 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 2JRP "Solution Nmr Structure Of Yfgj From Salmonella Typhimurium Modeled With Two Zn+2 Bound, Northeast Structural Genomics Consortiu" 100.00 81 100.00 100.00 1.33e-51 DBJ BAJ37479 "hypothetical protein STMDT12_C25360 [Salmonella enterica subsp. enterica serovar Typhimurium str. T000240]" 90.12 73 100.00 100.00 7.62e-46 DBJ BAP08460 "conserved hypothetical protein [Salmonella enterica subsp. enterica serovar Typhimurium str. L-3553]" 90.12 73 100.00 100.00 7.62e-46 EMBL CAD02721 "conserved hypothetical protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 90.12 73 98.63 98.63 4.49e-45 EMBL CAR34081 "conserved hypothetical protein [Salmonella enterica subsp. enterica serovar Enteritidis str. P125109]" 90.12 73 100.00 100.00 7.62e-46 EMBL CAR38373 "conserved hypothetical protein [Salmonella enterica subsp. enterica serovar Gallinarum str. 287/91]" 90.12 73 100.00 100.00 7.62e-46 EMBL CAR58447 "conserved hypothetical protein [Salmonella enterica subsp. enterica serovar Paratyphi A str. AKU_12601]" 90.12 73 98.63 98.63 4.49e-45 EMBL CBG25542 "conserved hypothetical protein [Salmonella enterica subsp. enterica serovar Typhimurium str. D23580]" 90.12 73 100.00 100.00 7.62e-46 GB AAL21412 "putative cytoplasmic protein [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 90.12 73 100.00 100.00 7.62e-46 GB AAO68061 "conserved hypothetical protein [Salmonella enterica subsp. enterica serovar Typhi str. Ty2]" 90.12 73 98.63 98.63 4.49e-45 GB AAP83330 "putative cytoplasmic protein [Salmonella enterica subsp. enterica serovar Enteritidis]" 90.12 73 100.00 100.00 7.62e-46 GB AAV76366 "conserved hypothetical protein [Salmonella enterica subsp. enterica serovar Paratyphi A str. ATCC 9150]" 90.12 73 98.63 98.63 4.49e-45 GB AAX66421 "putative cytoplasmic protein [Salmonella enterica subsp. enterica serovar Choleraesuis str. SC-B67]" 90.12 73 100.00 100.00 7.62e-46 PIR AE0821 "conserved hypothetical protein STY2763a [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" 90.12 73 98.63 98.63 4.49e-45 REF NP_457050 "hypothetical protein STY2763a [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 90.12 73 98.63 98.63 4.49e-45 REF NP_461453 "cytoplasmic protein [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 90.12 73 100.00 100.00 7.62e-46 REF WP_000402503 "hypothetical protein [Salmonella enterica]" 90.12 73 98.63 98.63 4.49e-45 REF WP_000406465 "hypothetical protein [Salmonella enterica]" 90.12 73 98.63 100.00 1.63e-45 REF WP_000406466 "hypothetical protein [Salmonella enterica]" 90.12 73 100.00 100.00 7.62e-46 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION ON 3-FOLD CRYSTAL AXIS)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 22 03:38:33 2007 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN N 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $protein . 602 Bacteria . Salmonella typhimurium 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 $protein 'recombinant technology' . Escherichia coli . pET21 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $protein 1 mM '[U-100% 13C; U-100% 15N]' NH4OAc 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' DTT 10 mM 'natural abundance' CaCl2 5 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 95 % . D2O 5 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $protein 1 mM '[U-100% 13C; U-100% 15N]' NH4OAc 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' DTT 10 mM 'natural abundance' CaCl2 5 mM 'natural abundance' NaN3 0.02 % 'natural abundance' D2O 100 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $protein 1.7 mM '[U-5% 13C; U-100% 15N]' NH4OAc 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' DTT 10 mM 'natural abundance' CaCl2 5 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 95 % . D2O 5 % . stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.15.0 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AutoStructure _Saveframe_category software _Name AutoStruct _Version 2.1.1 loop_ _Vendor _Address _Electronic_address 'Huang, Tejero, Powers and Montelione' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.1 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version linux9 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_(aliph)_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC (aliph)' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_aromatic_1H-13C_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D aromatic 1H-13C NOESY' _Sample_label $sample_2 save_ save_4D_1H-13C_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 1H-13C NOESY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_(arom)_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC (arom)' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC (aliph)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D aromatic 1H-13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_14 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 1H-13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC (arom)' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 1 M pH 4.5 0.2 pH pressure 1 1 atm temperature 293 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRPipe $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D aromatic 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name protein _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.17 0.02 1 2 1 1 MET HB2 H 2.21 0.02 2 3 1 1 MET HB3 H 2.21 0.02 2 4 1 1 MET C C 171.9 0.2 1 5 1 1 MET CA C 55.1 0.2 1 6 1 1 MET CB C 32.9 0.2 1 7 2 2 GLU H H 8.85 0.02 1 8 2 2 GLU HA H 4.45 0.02 1 9 2 2 GLU HB2 H 1.92 0.02 2 10 2 2 GLU HB3 H 2.02 0.02 2 11 2 2 GLU HG2 H 2.24 0.02 2 12 2 2 GLU HG3 H 2.31 0.02 2 13 2 2 GLU C C 175.4 0.2 1 14 2 2 GLU CA C 55.9 0.2 1 15 2 2 GLU CB C 30.3 0.2 1 16 2 2 GLU CG C 35.4 0.2 1 17 2 2 GLU N N 123.6 0.2 1 18 3 3 ILE H H 8.59 0.02 1 19 3 3 ILE HA H 4.31 0.02 1 20 3 3 ILE HB H 1.61 0.02 1 21 3 3 ILE HD1 H 0.63 0.02 1 22 3 3 ILE HG12 H 1.04 0.02 2 23 3 3 ILE HG13 H 1.54 0.02 2 24 3 3 ILE HG2 H 0.78 0.02 1 25 3 3 ILE C C 175.1 0.2 1 26 3 3 ILE CA C 60.7 0.2 1 27 3 3 ILE CB C 39.5 0.2 1 28 3 3 ILE CD1 C 14.3 0.2 1 29 3 3 ILE CG1 C 26.6 0.2 1 30 3 3 ILE CG2 C 18.4 0.2 1 31 3 3 ILE N N 122.1 0.2 1 32 4 4 THR H H 8.13 0.02 1 33 4 4 THR HA H 4.54 0.02 1 34 4 4 THR HB H 3.62 0.02 1 35 4 4 THR HG2 H 0.92 0.02 1 36 4 4 THR C C 173.0 0.2 1 37 4 4 THR CA C 59.7 0.2 1 38 4 4 THR CB C 71.4 0.2 1 39 4 4 THR CG2 C 21.6 0.2 1 40 4 4 THR N N 116.8 0.2 1 41 5 5 CYS H H 8.70 0.02 1 42 5 5 CYS HA H 3.96 0.02 1 43 5 5 CYS HB2 H 2.79 0.02 2 44 5 5 CYS HB3 H 3.13 0.02 2 45 5 5 CYS CA C 56.8 0.2 1 46 5 5 CYS CB C 32.0 0.2 1 47 5 5 CYS N N 125.6 0.2 1 48 6 6 PRO HA H 4.26 0.02 1 49 6 6 PRO HB2 H 1.93 0.02 2 50 6 6 PRO HB3 H 2.19 0.02 2 51 6 6 PRO HD2 H 3.19 0.02 2 52 6 6 PRO HD3 H 3.54 0.02 2 53 6 6 PRO HG2 H 1.75 0.02 2 54 6 6 PRO HG3 H 1.75 0.02 2 55 6 6 PRO C C 176.0 0.2 1 56 6 6 PRO CA C 63.9 0.2 1 57 6 6 PRO CB C 32.1 0.2 1 58 6 6 PRO CD C 50.5 0.2 1 59 6 6 PRO CG C 27.2 0.2 1 60 7 7 VAL H H 9.21 0.02 1 61 7 7 VAL HA H 3.82 0.02 1 62 7 7 VAL HB H 2.41 0.02 1 63 7 7 VAL HG1 H 0.78 0.02 2 64 7 7 VAL HG2 H 0.93 0.02 2 65 7 7 VAL CA C 64.9 0.2 1 66 7 7 VAL CB C 32.2 0.2 1 67 7 7 VAL CG1 C 21.1 0.02 2 68 7 7 VAL CG2 C 21.2 0.02 2 69 7 7 VAL N N 122.5 0.2 1 70 8 8 CYS HA H 4.56 0.02 1 71 8 8 CYS HB2 H 2.44 0.02 2 72 8 8 CYS HB3 H 3.00 0.02 2 73 8 8 CYS C C 176.8 0.2 1 74 8 8 CYS CA C 58.9 0.2 1 75 8 8 CYS CB C 32.0 0.2 1 76 9 9 HIS H H 7.55 0.02 1 77 9 9 HIS HA H 4.47 0.02 1 78 9 9 HIS HB2 H 3.36 0.02 2 79 9 9 HIS HB3 H 3.47 0.02 2 80 9 9 HIS HD2 H 7.07 0.02 1 81 9 9 HIS CA C 56.9 0.2 1 82 9 9 HIS CB C 25.9 0.2 1 83 9 9 HIS CD2 C 119.5 0.2 1 84 9 9 HIS N N 115.0 0.2 1 85 10 10 HIS HA H 4.79 0.02 1 86 10 10 HIS HB2 H 3.32 0.02 2 87 10 10 HIS HB3 H 3.56 0.02 2 88 10 10 HIS HD2 H 7.47 0.02 1 89 10 10 HIS HE1 H 8.69 0.02 1 90 10 10 HIS C C 174.7 0.2 1 91 10 10 HIS CA C 55.7 0.2 1 92 10 10 HIS CB C 29.8 0.2 1 93 10 10 HIS CD2 C 119.9 0.2 1 94 10 10 HIS CE1 C 135.3 0.2 1 95 11 11 ALA H H 8.79 0.02 1 96 11 11 ALA HA H 4.31 0.02 1 97 11 11 ALA HB H 1.41 0.02 1 98 11 11 ALA C C 177.8 0.2 1 99 11 11 ALA CA C 53.4 0.2 1 100 11 11 ALA CB C 18.6 0.2 1 101 11 11 ALA N N 124.5 0.2 1 102 12 12 LEU H H 8.48 0.02 1 103 12 12 LEU HA H 4.64 0.02 1 104 12 12 LEU HB2 H 1.17 0.02 2 105 12 12 LEU HB3 H 1.45 0.02 2 106 12 12 LEU HD1 H 0.40 0.02 2 107 12 12 LEU HD2 H 0.81 0.02 2 108 12 12 LEU HG H 1.51 0.02 1 109 12 12 LEU C C 176.9 0.2 1 110 12 12 LEU CA C 53.5 0.2 1 111 12 12 LEU CB C 44.1 0.2 1 112 12 12 LEU CD1 C 26.4 0.02 2 113 12 12 LEU CD2 C 24.3 0.02 2 114 12 12 LEU CG C 26.7 0.2 1 115 12 12 LEU N N 121.2 0.2 1 116 13 13 GLU H H 8.60 0.02 1 117 13 13 GLU HA H 4.59 0.02 1 118 13 13 GLU HB2 H 2.12 0.02 2 119 13 13 GLU HB3 H 2.12 0.02 2 120 13 13 GLU HG2 H 2.37 0.02 2 121 13 13 GLU HG3 H 2.47 0.02 2 122 13 13 GLU C C 175.7 0.2 1 123 13 13 GLU CA C 54.7 0.2 1 124 13 13 GLU CB C 30.2 0.2 1 125 13 13 GLU CG C 34.4 0.2 1 126 13 13 GLU N N 120.3 0.2 1 127 14 14 ARG H H 9.01 0.02 1 128 14 14 ARG HA H 4.46 0.02 1 129 14 14 ARG HB2 H 1.44 0.02 2 130 14 14 ARG HB3 H 1.79 0.02 2 131 14 14 ARG HD2 H 2.53 0.02 2 132 14 14 ARG HD3 H 2.56 0.02 2 133 14 14 ARG HG2 H 1.30 0.02 2 134 14 14 ARG HG3 H 1.33 0.02 2 135 14 14 ARG C C 174.9 0.2 1 136 14 14 ARG CA C 56.4 0.2 1 137 14 14 ARG CB C 31.8 0.2 1 138 14 14 ARG CD C 43.0 0.2 1 139 14 14 ARG CG C 27.6 0.2 1 140 14 14 ARG N N 126.5 0.2 1 141 15 15 ASN H H 8.67 0.02 1 142 15 15 ASN HA H 4.85 0.02 1 143 15 15 ASN HB2 H 2.56 0.02 2 144 15 15 ASN HB3 H 2.66 0.02 2 145 15 15 ASN C C 174.9 0.2 1 146 15 15 ASN CA C 52.1 0.2 1 147 15 15 ASN CB C 39.2 0.2 1 148 15 15 ASN N N 125.1 0.2 1 149 16 16 GLY H H 8.88 0.02 1 150 16 16 GLY HA2 H 3.57 0.02 2 151 16 16 GLY HA3 H 4.00 0.02 2 152 16 16 GLY C C 173.7 0.2 1 153 16 16 GLY CA C 47.2 0.2 1 154 16 16 GLY N N 114.4 0.2 1 155 17 17 ASP H H 8.60 0.02 1 156 17 17 ASP HA H 4.60 0.02 1 157 17 17 ASP HB2 H 2.93 0.02 2 158 17 17 ASP HB3 H 2.93 0.02 2 159 17 17 ASP C C 174.8 0.2 1 160 17 17 ASP CA C 53.8 0.2 1 161 17 17 ASP CB C 40.2 0.2 1 162 17 17 ASP N N 126.4 0.2 1 163 18 18 THR H H 7.71 0.02 1 164 18 18 THR HA H 5.12 0.02 1 165 18 18 THR HB H 4.15 0.02 1 166 18 18 THR HG2 H 1.18 0.02 1 167 18 18 THR C C 171.9 0.2 1 168 18 18 THR CA C 60.4 0.2 1 169 18 18 THR CB C 72.3 0.2 1 170 18 18 THR CG2 C 21.4 0.2 1 171 18 18 THR N N 112.3 0.2 1 172 19 19 ALA H H 9.09 0.02 1 173 19 19 ALA HA H 5.25 0.02 1 174 19 19 ALA HB H 1.21 0.02 1 175 19 19 ALA C C 175.0 0.2 1 176 19 19 ALA CA C 50.3 0.2 1 177 19 19 ALA CB C 23.9 0.2 1 178 19 19 ALA N N 123.3 0.2 1 179 20 20 HIS H H 9.13 0.02 1 180 20 20 HIS HA H 5.55 0.02 1 181 20 20 HIS HB2 H 3.15 0.02 2 182 20 20 HIS HB3 H 3.15 0.02 2 183 20 20 HIS HD2 H 7.09 0.02 1 184 20 20 HIS HE1 H 8.48 0.02 1 185 20 20 HIS C C 173.1 0.2 1 186 20 20 HIS CA C 54.7 0.2 1 187 20 20 HIS CB C 31.9 0.2 1 188 20 20 HIS CD2 C 119.8 0.2 1 189 20 20 HIS CE1 C 135.8 0.2 1 190 20 20 HIS N N 120.0 0.2 1 191 21 21 CYS H H 8.91 0.02 1 192 21 21 CYS HA H 4.70 0.02 1 193 21 21 CYS HB2 H 2.85 0.02 2 194 21 21 CYS HB3 H 2.85 0.02 2 195 21 21 CYS C C 176.4 0.2 1 196 21 21 CYS CA C 57.9 0.2 1 197 21 21 CYS CB C 31.7 0.2 1 198 21 21 CYS N N 129.2 0.2 1 199 22 22 GLU H H 9.03 0.02 1 200 22 22 GLU HA H 4.13 0.02 1 201 22 22 GLU HB2 H 2.16 0.02 2 202 22 22 GLU HB3 H 2.16 0.02 2 203 22 22 GLU HG2 H 2.47 0.02 2 204 22 22 GLU HG3 H 2.47 0.02 2 205 22 22 GLU C C 177.4 0.2 1 206 22 22 GLU CA C 58.2 0.2 1 207 22 22 GLU CB C 29.5 0.2 1 208 22 22 GLU CG C 34.6 0.2 1 209 22 22 GLU N N 128.8 0.2 1 210 23 23 THR H H 8.36 0.02 1 211 23 23 THR HA H 3.92 0.02 1 212 23 23 THR HB H 4.49 0.02 1 213 23 23 THR HG2 H 1.10 0.02 1 214 23 23 THR C C 176.5 0.2 1 215 23 23 THR CA C 66.8 0.2 1 216 23 23 THR CB C 69.1 0.2 1 217 23 23 THR CG2 C 21.7 0.2 1 218 23 23 THR N N 119.8 0.2 1 219 24 24 CYS H H 9.57 0.02 1 220 24 24 CYS HA H 3.88 0.02 1 221 24 24 CYS HB2 H 2.62 0.02 2 222 24 24 CYS HB3 H 2.88 0.02 2 223 24 24 CYS C C 174.9 0.2 1 224 24 24 CYS CA C 62.0 0.2 1 225 24 24 CYS CB C 30.3 0.2 1 226 24 24 CYS N N 123.6 0.2 1 227 25 25 ALA H H 7.72 0.02 1 228 25 25 ALA HA H 3.82 0.02 1 229 25 25 ALA HB H 1.38 0.02 1 230 25 25 ALA C C 175.4 0.2 1 231 25 25 ALA CA C 52.5 0.2 1 232 25 25 ALA CB C 16.0 0.2 1 233 25 25 ALA N N 121.4 0.2 1 234 26 26 LYS H H 6.91 0.02 1 235 26 26 LYS HA H 4.45 0.02 1 236 26 26 LYS HB2 H 1.18 0.02 2 237 26 26 LYS HB3 H 1.18 0.02 2 238 26 26 LYS HD2 H 1.48 0.02 2 239 26 26 LYS HD3 H 1.59 0.02 2 240 26 26 LYS HE2 H 2.81 0.02 2 241 26 26 LYS HE3 H 2.81 0.02 2 242 26 26 LYS HG2 H 0.96 0.02 2 243 26 26 LYS HG3 H 1.08 0.02 2 244 26 26 LYS CA C 54.6 0.2 1 245 26 26 LYS CB C 37.9 0.2 1 246 26 26 LYS CD C 28.7 0.2 1 247 26 26 LYS CE C 41.9 0.2 1 248 26 26 LYS CG C 24.4 0.2 1 249 26 26 LYS N N 116.1 0.2 1 250 27 27 ASP HA H 5.61 0.02 1 251 27 27 ASP HB2 H 2.39 0.02 2 252 27 27 ASP HB3 H 2.47 0.02 2 253 27 27 ASP C C 174.4 0.2 1 254 27 27 ASP CA C 53.0 0.2 1 255 27 27 ASP CB C 44.2 0.2 1 256 28 28 PHE H H 9.20 0.02 1 257 28 28 PHE HA H 4.89 0.02 1 258 28 28 PHE HB2 H 2.47 0.02 2 259 28 28 PHE HB3 H 3.18 0.02 2 260 28 28 PHE HD1 H 7.07 0.02 3 261 28 28 PHE HD2 H 7.07 0.02 3 262 28 28 PHE HE1 H 7.07 0.02 3 263 28 28 PHE HE2 H 7.07 0.02 3 264 28 28 PHE HZ H 7.29 0.02 1 265 28 28 PHE C C 175.5 0.2 1 266 28 28 PHE CA C 56.8 0.2 1 267 28 28 PHE CB C 42.9 0.2 1 268 28 28 PHE CD1 C 131.9 0.02 3 269 28 28 PHE CD2 C 131.9 0.02 3 270 28 28 PHE CE1 C 131.9 0.02 3 271 28 28 PHE CE2 C 131.9 0.02 3 272 28 28 PHE CZ C 131.3 0.2 1 273 28 28 PHE N N 118.1 0.2 1 274 29 29 SER H H 9.07 0.02 1 275 29 29 SER HA H 4.75 0.02 1 276 29 29 SER HB2 H 3.93 0.02 2 277 29 29 SER HB3 H 3.93 0.02 2 278 29 29 SER C C 173.4 0.2 1 279 29 29 SER CA C 58.4 0.2 1 280 29 29 SER CB C 64.1 0.2 1 281 29 29 SER N N 118.4 0.2 1 282 30 30 LEU H H 8.18 0.02 1 283 30 30 LEU HA H 5.20 0.02 1 284 30 30 LEU HB2 H 1.31 0.02 2 285 30 30 LEU HB3 H 1.50 0.02 2 286 30 30 LEU HD1 H 0.44 0.02 2 287 30 30 LEU HD2 H 0.54 0.02 2 288 30 30 LEU HG H 1.35 0.02 1 289 30 30 LEU CA C 53.1 0.2 1 290 30 30 LEU CB C 44.8 0.2 1 291 30 30 LEU CD1 C 25.7 0.02 2 292 30 30 LEU CD2 C 23.7 0.02 2 293 30 30 LEU CG C 26.8 0.2 1 294 30 30 LEU N N 122.2 0.2 1 295 31 31 GLN HA H 4.68 0.02 1 296 31 31 GLN HB2 H 1.83 0.02 2 297 31 31 GLN HB3 H 1.94 0.02 2 298 31 31 GLN HG2 H 2.10 0.02 2 299 31 31 GLN HG3 H 2.23 0.02 2 300 31 31 GLN C C 173.6 0.2 1 301 31 31 GLN CA C 54.2 0.2 1 302 31 31 GLN CB C 31.8 0.2 1 303 31 31 GLN CG C 34.2 0.2 1 304 32 32 ALA H H 8.56 0.02 1 305 32 32 ALA HA H 3.99 0.02 1 306 32 32 ALA HB H 0.95 0.02 1 307 32 32 ALA C C 175.6 0.2 1 308 32 32 ALA CA C 50.9 0.2 1 309 32 32 ALA CB C 20.3 0.2 1 310 32 32 ALA N N 128.1 0.2 1 311 33 33 LEU H H 8.74 0.02 1 312 33 33 LEU HA H 4.56 0.02 1 313 33 33 LEU HB2 H 0.81 0.02 2 314 33 33 LEU HB3 H 1.65 0.02 2 315 33 33 LEU HD1 H 0.70 0.02 2 316 33 33 LEU HD2 H 0.53 0.02 2 317 33 33 LEU HG H 1.45 0.02 1 318 33 33 LEU C C 175.4 0.2 1 319 33 33 LEU CA C 52.7 0.2 1 320 33 33 LEU CB C 44.2 0.2 1 321 33 33 LEU CD1 C 25.7 0.02 2 322 33 33 LEU CD2 C 21.4 0.02 2 323 33 33 LEU CG C 25.9 0.2 1 324 33 33 LEU N N 124.5 0.2 1 325 34 34 CYS H H 8.26 0.02 1 326 34 34 CYS HA H 4.27 0.02 1 327 34 34 CYS HB2 H 2.81 0.02 2 328 34 34 CYS HB3 H 3.23 0.02 2 329 34 34 CYS CA C 56.9 0.2 1 330 34 34 CYS CB C 31.4 0.2 1 331 34 34 CYS N N 123.6 0.2 1 332 35 35 PRO HA H 4.29 0.02 1 333 35 35 PRO HB2 H 1.87 0.02 2 334 35 35 PRO HB3 H 2.33 0.02 2 335 35 35 PRO HD2 H 3.37 0.02 2 336 35 35 PRO HD3 H 4.37 0.02 2 337 35 35 PRO HG2 H 1.74 0.02 2 338 35 35 PRO HG3 H 1.81 0.02 2 339 35 35 PRO C C 176.1 0.2 1 340 35 35 PRO CA C 63.7 0.2 1 341 35 35 PRO CB C 31.6 0.2 1 342 35 35 PRO CD C 51.3 0.2 1 343 35 35 PRO CG C 26.6 0.2 1 344 36 36 ASP H H 8.98 0.02 1 345 36 36 ASP HA H 4.60 0.02 1 346 36 36 ASP HB2 H 1.15 0.02 2 347 36 36 ASP HB3 H 1.74 0.02 2 348 36 36 ASP C C 176.5 0.2 1 349 36 36 ASP CA C 56.4 0.2 1 350 36 36 ASP CB C 40.1 0.2 1 351 36 36 ASP N N 122.2 0.2 1 352 37 37 CYS H H 7.84 0.02 1 353 37 37 CYS HA H 5.00 0.02 1 354 37 37 CYS HB2 H 2.99 0.02 2 355 37 37 CYS HB3 H 3.32 0.02 2 356 37 37 CYS C C 175.4 0.2 1 357 37 37 CYS CA C 58.4 0.2 1 358 37 37 CYS CB C 32.3 0.2 1 359 37 37 CYS N N 116.0 0.2 1 360 38 38 ARG H H 7.88 0.02 1 361 38 38 ARG HA H 4.05 0.02 1 362 38 38 ARG HB2 H 2.03 0.02 2 363 38 38 ARG HB3 H 2.03 0.02 2 364 38 38 ARG HD2 H 3.07 0.02 2 365 38 38 ARG HD3 H 3.07 0.02 2 366 38 38 ARG HG2 H 1.43 0.02 2 367 38 38 ARG HG3 H 1.52 0.02 2 368 38 38 ARG C C 173.7 0.2 1 369 38 38 ARG CA C 58.1 0.2 1 370 38 38 ARG CB C 27.4 0.2 1 371 38 38 ARG CD C 42.8 0.2 1 372 38 38 ARG CG C 27.7 0.2 1 373 38 38 ARG N N 117.7 0.2 1 374 39 39 GLN H H 7.72 0.02 1 375 39 39 GLN HA H 4.71 0.02 1 376 39 39 GLN HB2 H 2.14 0.02 2 377 39 39 GLN HB3 H 2.14 0.02 2 378 39 39 GLN HG2 H 2.44 0.02 2 379 39 39 GLN HG3 H 2.44 0.02 2 380 39 39 GLN CA C 53.9 0.2 1 381 39 39 GLN CB C 28.1 0.2 1 382 39 39 GLN CG C 34.0 0.2 1 383 39 39 GLN N N 117.5 0.2 1 384 40 40 PRO HA H 4.57 0.02 1 385 40 40 PRO HB2 H 1.93 0.02 2 386 40 40 PRO HB3 H 2.30 0.02 2 387 40 40 PRO HD2 H 3.64 0.02 2 388 40 40 PRO HD3 H 3.85 0.02 2 389 40 40 PRO HG2 H 1.78 0.02 2 390 40 40 PRO HG3 H 2.16 0.02 2 391 40 40 PRO C C 176.6 0.2 1 392 40 40 PRO CA C 63.7 0.2 1 393 40 40 PRO CB C 31.9 0.2 1 394 40 40 PRO CD C 50.8 0.2 1 395 40 40 PRO CG C 27.8 0.2 1 396 41 41 LEU H H 8.17 0.02 1 397 41 41 LEU HA H 4.46 0.02 1 398 41 41 LEU HB2 H 1.46 0.02 2 399 41 41 LEU HB3 H 1.46 0.02 2 400 41 41 LEU HD1 H 0.50 0.02 2 401 41 41 LEU HD2 H 0.80 0.02 2 402 41 41 LEU HG H 1.59 0.02 1 403 41 41 LEU C C 177.2 0.2 1 404 41 41 LEU CA C 54.0 0.2 1 405 41 41 LEU CB C 43.2 0.2 1 406 41 41 LEU CD1 C 27.9 0.02 2 407 41 41 LEU CD2 C 25.2 0.02 2 408 41 41 LEU CG C 27.9 0.2 1 409 41 41 LEU N N 124.1 0.2 1 410 42 42 GLN H H 9.24 0.02 1 411 42 42 GLN HA H 4.49 0.02 1 412 42 42 GLN HB2 H 2.13 0.02 2 413 42 42 GLN HB3 H 2.35 0.02 2 414 42 42 GLN HG2 H 2.26 0.02 2 415 42 42 GLN HG3 H 2.47 0.02 2 416 42 42 GLN C C 175.0 0.2 1 417 42 42 GLN CA C 55.3 0.2 1 418 42 42 GLN CB C 29.6 0.2 1 419 42 42 GLN CG C 33.7 0.2 1 420 42 42 GLN N N 122.1 0.2 1 421 43 43 VAL H H 8.60 0.02 1 422 43 43 VAL HA H 4.26 0.02 1 423 43 43 VAL HB H 1.95 0.02 1 424 43 43 VAL HG1 H 0.67 0.02 2 425 43 43 VAL HG2 H 0.98 0.02 2 426 43 43 VAL C C 175.5 0.2 1 427 43 43 VAL CA C 62.1 0.2 1 428 43 43 VAL CB C 32.0 0.2 1 429 43 43 VAL CG1 C 21.4 0.02 2 430 43 43 VAL CG2 C 20.8 0.02 2 431 43 43 VAL N N 126.4 0.2 1 432 44 44 LEU H H 8.94 0.02 1 433 44 44 LEU HA H 4.51 0.02 1 434 44 44 LEU HB2 H 1.25 0.02 2 435 44 44 LEU HB3 H 1.46 0.02 2 436 44 44 LEU HD1 H 0.54 0.02 2 437 44 44 LEU HD2 H 0.58 0.02 2 438 44 44 LEU HG H 1.32 0.02 1 439 44 44 LEU C C 175.5 0.2 1 440 44 44 LEU CA C 53.4 0.2 1 441 44 44 LEU CB C 42.8 0.2 1 442 44 44 LEU CD1 C 25.3 0.02 2 443 44 44 LEU CD2 C 23.2 0.02 2 444 44 44 LEU CG C 26.7 0.2 1 445 44 44 LEU N N 130.2 0.2 1 446 45 45 LYS H H 8.52 0.02 1 447 45 45 LYS HA H 4.83 0.02 1 448 45 45 LYS HB2 H 1.66 0.02 2 449 45 45 LYS HB3 H 1.75 0.02 2 450 45 45 LYS HD2 H 1.62 0.02 2 451 45 45 LYS HD3 H 1.62 0.02 2 452 45 45 LYS HE2 H 2.87 0.02 2 453 45 45 LYS HE3 H 2.87 0.02 2 454 45 45 LYS HG2 H 1.25 0.02 2 455 45 45 LYS HG3 H 1.34 0.02 2 456 45 45 LYS C C 175.6 0.2 1 457 45 45 LYS CA C 55.7 0.2 1 458 45 45 LYS CB C 33.5 0.2 1 459 45 45 LYS CD C 29.2 0.2 1 460 45 45 LYS CE C 41.9 0.2 1 461 45 45 LYS CG C 25.2 0.2 1 462 45 45 LYS N N 123.7 0.2 1 463 46 46 ALA H H 8.22 0.02 1 464 46 46 ALA HA H 4.54 0.02 1 465 46 46 ALA HB H 1.29 0.02 1 466 46 46 ALA C C 176.9 0.2 1 467 46 46 ALA CA C 51.9 0.2 1 468 46 46 ALA CB C 20.7 0.2 1 469 46 46 ALA N N 126.4 0.2 1 470 47 47 CYS H H 9.20 0.02 1 471 47 47 CYS HA H 4.08 0.02 1 472 47 47 CYS HB2 H 2.88 0.02 2 473 47 47 CYS HB3 H 3.07 0.02 2 474 47 47 CYS C C 175.1 0.2 1 475 47 47 CYS CA C 59.7 0.2 1 476 47 47 CYS CB C 25.8 0.2 1 477 47 47 CYS N N 120.4 0.2 1 478 48 48 GLY H H 8.62 0.02 1 479 48 48 GLY HA2 H 3.67 0.02 2 480 48 48 GLY HA3 H 4.07 0.02 2 481 48 48 GLY C C 173.1 0.2 1 482 48 48 GLY CA C 45.5 0.2 1 483 48 48 GLY N N 109.0 0.2 1 484 49 49 ALA H H 7.82 0.02 1 485 49 49 ALA HA H 4.62 0.02 1 486 49 49 ALA HB H 1.38 0.02 1 487 49 49 ALA C C 176.0 0.2 1 488 49 49 ALA CA C 51.0 0.2 1 489 49 49 ALA CB C 21.3 0.2 1 490 49 49 ALA N N 124.0 0.2 1 491 50 50 VAL H H 8.10 0.02 1 492 50 50 VAL HA H 4.56 0.02 1 493 50 50 VAL HB H 1.79 0.02 1 494 50 50 VAL HG1 H 0.55 0.02 2 495 50 50 VAL HG2 H 0.73 0.02 2 496 50 50 VAL C C 174.3 0.2 1 497 50 50 VAL CA C 61.4 0.2 1 498 50 50 VAL CB C 33.8 0.2 1 499 50 50 VAL CG1 C 21.1 0.02 2 500 50 50 VAL CG2 C 20.8 0.02 2 501 50 50 VAL N N 119.6 0.2 1 502 51 51 ASP H H 8.64 0.02 1 503 51 51 ASP HA H 5.03 0.02 1 504 51 51 ASP HB2 H 2.41 0.02 2 505 51 51 ASP HB3 H 2.53 0.02 2 506 51 51 ASP C C 173.0 0.2 1 507 51 51 ASP CA C 52.0 0.2 1 508 51 51 ASP CB C 43.9 0.2 1 509 51 51 ASP N N 124.9 0.2 1 510 52 52 TYR H H 8.95 0.02 1 511 52 52 TYR HA H 5.15 0.02 1 512 52 52 TYR HB2 H 2.72 0.02 2 513 52 52 TYR HB3 H 2.91 0.02 2 514 52 52 TYR HD1 H 6.92 0.02 3 515 52 52 TYR HD2 H 6.92 0.02 3 516 52 52 TYR HE1 H 6.74 0.02 3 517 52 52 TYR HE2 H 6.74 0.02 3 518 52 52 TYR C C 174.5 0.2 1 519 52 52 TYR CA C 57.3 0.2 1 520 52 52 TYR CB C 41.2 0.2 1 521 52 52 TYR CD1 C 133.1 0.02 3 522 52 52 TYR CD2 C 133.1 0.02 3 523 52 52 TYR CE1 C 117.5 0.02 3 524 52 52 TYR CE2 C 117.5 0.02 3 525 52 52 TYR N N 118.5 0.2 1 526 53 53 PHE H H 9.25 0.02 1 527 53 53 PHE HA H 5.04 0.02 1 528 53 53 PHE HB2 H 2.63 0.02 2 529 53 53 PHE HB3 H 2.93 0.02 2 530 53 53 PHE HD1 H 6.94 0.02 3 531 53 53 PHE HD2 H 6.94 0.02 3 532 53 53 PHE HE1 H 7.28 0.02 3 533 53 53 PHE HE2 H 7.28 0.02 3 534 53 53 PHE C C 173.2 0.2 1 535 53 53 PHE CA C 56.4 0.2 1 536 53 53 PHE CB C 44.3 0.2 1 537 53 53 PHE CD1 C 131.5 0.02 3 538 53 53 PHE CD2 C 131.5 0.02 3 539 53 53 PHE CE1 C 131.5 0.02 3 540 53 53 PHE CE2 C 131.5 0.02 3 541 53 53 PHE N N 123.1 0.2 1 542 54 54 CYS H H 9.16 0.02 1 543 54 54 CYS HA H 4.69 0.02 1 544 54 54 CYS HB2 H 2.74 0.02 2 545 54 54 CYS HB3 H 2.74 0.02 2 546 54 54 CYS C C 175.7 0.2 1 547 54 54 CYS CA C 58.2 0.2 1 548 54 54 CYS CB C 29.6 0.2 1 549 54 54 CYS N N 130.8 0.2 1 550 55 55 GLN H H 9.26 0.02 1 551 55 55 GLN HA H 4.30 0.02 1 552 55 55 GLN HB2 H 2.12 0.02 2 553 55 55 GLN HB3 H 2.33 0.02 2 554 55 55 GLN HG2 H 2.51 0.02 2 555 55 55 GLN HG3 H 2.51 0.02 2 556 55 55 GLN C C 174.4 0.2 1 557 55 55 GLN CA C 56.9 0.2 1 558 55 55 GLN CB C 28.9 0.2 1 559 55 55 GLN CG C 34.2 0.2 1 560 55 55 GLN N N 129.0 0.2 1 561 56 56 ASN H H 9.10 0.02 1 562 56 56 ASN HA H 4.86 0.02 1 563 56 56 ASN HB2 H 2.54 0.02 2 564 56 56 ASN HB3 H 2.99 0.02 2 565 56 56 ASN C C 174.1 0.2 1 566 56 56 ASN CA C 52.1 0.2 1 567 56 56 ASN CB C 39.5 0.2 1 568 56 56 ASN N N 122.3 0.2 1 569 57 57 GLY H H 7.18 0.02 1 570 57 57 GLY HA2 H 3.45 0.02 2 571 57 57 GLY HA3 H 4.00 0.02 2 572 57 57 GLY C C 175.8 0.2 1 573 57 57 GLY CA C 45.1 0.2 1 574 57 57 GLY N N 104.2 0.2 1 575 58 58 HIS H H 7.38 0.02 1 576 58 58 HIS HA H 4.62 0.02 1 577 58 58 HIS HB2 H 2.99 0.02 2 578 58 58 HIS HB3 H 3.36 0.02 2 579 58 58 HIS C C 174.1 0.2 1 580 58 58 HIS CA C 59.6 0.2 1 581 58 58 HIS CB C 30.1 0.2 1 582 58 58 HIS N N 116.0 0.2 1 583 59 59 GLY H H 7.61 0.02 1 584 59 59 GLY HA2 H 2.93 0.02 2 585 59 59 GLY HA3 H 3.70 0.02 2 586 59 59 GLY C C 173.1 0.2 1 587 59 59 GLY CA C 45.5 0.2 1 588 59 59 GLY N N 108.0 0.2 1 589 60 60 LEU H H 8.45 0.02 1 590 60 60 LEU HA H 4.62 0.02 1 591 60 60 LEU HB2 H 1.65 0.02 2 592 60 60 LEU HB3 H 1.65 0.02 2 593 60 60 LEU HD1 H 0.93 0.02 2 594 60 60 LEU HD2 H 0.93 0.02 2 595 60 60 LEU HG H 1.65 0.02 1 596 60 60 LEU C C 176.8 0.2 1 597 60 60 LEU CA C 55.7 0.2 1 598 60 60 LEU CB C 42.2 0.2 1 599 60 60 LEU CD1 C 24.7 0.02 2 600 60 60 LEU CD2 C 24.7 0.02 2 601 60 60 LEU CG C 27.4 0.2 1 602 60 60 LEU N N 124.3 0.2 1 603 61 61 ILE H H 8.74 0.02 1 604 61 61 ILE HA H 4.20 0.02 1 605 61 61 ILE HB H 1.80 0.02 1 606 61 61 ILE HD1 H 0.59 0.02 1 607 61 61 ILE HG12 H 1.19 0.02 2 608 61 61 ILE HG13 H 1.81 0.02 2 609 61 61 ILE HG2 H 0.74 0.02 1 610 61 61 ILE C C 175.5 0.2 1 611 61 61 ILE CA C 57.0 0.2 1 612 61 61 ILE CB C 37.4 0.2 1 613 61 61 ILE CD1 C 9.3 0.2 1 614 61 61 ILE CG1 C 26.9 0.2 1 615 61 61 ILE CG2 C 18.0 0.2 1 616 61 61 ILE N N 128.5 0.2 1 617 62 62 SER H H 8.49 0.02 1 618 62 62 SER HA H 4.38 0.02 1 619 62 62 SER HB2 H 3.79 0.02 2 620 62 62 SER HB3 H 4.08 0.02 2 621 62 62 SER C C 176.5 0.2 1 622 62 62 SER CA C 58.3 0.2 1 623 62 62 SER CB C 63.5 0.2 1 624 62 62 SER N N 121.7 0.2 1 625 63 63 LYS H H 9.04 0.02 1 626 63 63 LYS HA H 3.91 0.02 1 627 63 63 LYS HB2 H 2.05 0.02 2 628 63 63 LYS HB3 H 2.12 0.02 2 629 63 63 LYS HD2 H 1.93 0.02 2 630 63 63 LYS HD3 H 1.93 0.02 2 631 63 63 LYS HE2 H 3.17 0.02 2 632 63 63 LYS HE3 H 3.17 0.02 2 633 63 63 LYS HG2 H 1.71 0.02 2 634 63 63 LYS HG3 H 1.71 0.02 2 635 63 63 LYS C C 178.2 0.2 1 636 63 63 LYS CA C 60.3 0.2 1 637 63 63 LYS CB C 32.0 0.2 1 638 63 63 LYS CD C 29.3 0.2 1 639 63 63 LYS CE C 42.1 0.2 1 640 63 63 LYS CG C 25.3 0.2 1 641 63 63 LYS N N 126.0 0.2 1 642 64 64 LYS H H 8.09 0.02 1 643 64 64 LYS HA H 4.19 0.02 1 644 64 64 LYS HB2 H 1.82 0.02 2 645 64 64 LYS HB3 H 1.82 0.02 2 646 64 64 LYS HD2 H 1.69 0.02 2 647 64 64 LYS HD3 H 1.69 0.02 2 648 64 64 LYS HE2 H 2.99 0.02 2 649 64 64 LYS HE3 H 2.99 0.02 2 650 64 64 LYS HG2 H 1.45 0.02 2 651 64 64 LYS HG3 H 1.45 0.02 2 652 64 64 LYS C C 177.0 0.2 1 653 64 64 LYS CA C 58.0 0.2 1 654 64 64 LYS CB C 32.3 0.2 1 655 64 64 LYS CD C 29.0 0.2 1 656 64 64 LYS CE C 41.8 0.2 1 657 64 64 LYS CG C 25.0 0.2 1 658 64 64 LYS N N 115.4 0.2 1 659 65 65 ARG H H 7.96 0.02 1 660 65 65 ARG HA H 4.28 0.02 1 661 65 65 ARG HB2 H 1.63 0.02 2 662 65 65 ARG HB3 H 1.89 0.02 2 663 65 65 ARG HD2 H 3.15 0.02 2 664 65 65 ARG HD3 H 3.31 0.02 2 665 65 65 ARG HG2 H 1.46 0.02 2 666 65 65 ARG HG3 H 1.46 0.02 2 667 65 65 ARG C C 176.0 0.2 1 668 65 65 ARG CA C 55.9 0.2 1 669 65 65 ARG CB C 32.0 0.2 1 670 65 65 ARG CD C 43.3 0.2 1 671 65 65 ARG CG C 28.6 0.2 1 672 65 65 ARG N N 116.6 0.2 1 673 66 66 VAL H H 6.81 0.02 1 674 66 66 VAL HA H 2.80 0.02 1 675 66 66 VAL HB H 1.35 0.02 1 676 66 66 VAL HG1 H -0.60 0.02 2 677 66 66 VAL HG2 H 0.23 0.02 2 678 66 66 VAL C C 174.5 0.2 1 679 66 66 VAL CA C 65.0 0.2 1 680 66 66 VAL CB C 32.0 0.2 1 681 66 66 VAL CG1 C 20.9 0.02 2 682 66 66 VAL CG2 C 22.6 0.02 2 683 66 66 VAL N N 119.6 0.2 1 684 67 67 ASN H H 7.27 0.02 1 685 67 67 ASN HA H 4.84 0.02 1 686 67 67 ASN HB2 H 2.35 0.02 2 687 67 67 ASN HB3 H 2.56 0.02 2 688 67 67 ASN HD21 H 6.78 0.02 2 689 67 67 ASN HD22 H 7.14 0.02 2 690 67 67 ASN C C 173.2 0.2 1 691 67 67 ASN CA C 51.2 0.2 1 692 67 67 ASN CB C 39.1 0.2 1 693 67 67 ASN N N 123.5 0.2 1 694 67 67 ASN ND2 N 109.2 0.2 1 695 68 68 PHE H H 8.18 0.02 1 696 68 68 PHE HA H 5.17 0.02 1 697 68 68 PHE HB2 H 2.71 0.02 2 698 68 68 PHE HB3 H 2.71 0.02 2 699 68 68 PHE HD1 H 6.95 0.02 3 700 68 68 PHE HD2 H 6.95 0.02 3 701 68 68 PHE HE1 H 7.22 0.02 3 702 68 68 PHE HE2 H 7.22 0.02 3 703 68 68 PHE HZ H 7.00 0.02 1 704 68 68 PHE C C 175.3 0.2 1 705 68 68 PHE CA C 58.0 0.2 1 706 68 68 PHE CB C 41.1 0.2 1 707 68 68 PHE CD1 C 131.5 0.02 3 708 68 68 PHE CD2 C 131.5 0.02 3 709 68 68 PHE CE1 C 131.5 0.02 3 710 68 68 PHE CE2 C 131.5 0.02 3 711 68 68 PHE CZ C 129.4 0.2 1 712 68 68 PHE N N 123.3 0.2 1 713 69 69 VAL H H 8.66 0.02 1 714 69 69 VAL HA H 4.52 0.02 1 715 69 69 VAL HB H 2.07 0.02 1 716 69 69 VAL HG1 H 0.80 0.02 2 717 69 69 VAL HG2 H 0.78 0.02 2 718 69 69 VAL C C 175.1 0.2 1 719 69 69 VAL CA C 59.2 0.2 1 720 69 69 VAL CB C 35.1 0.2 1 721 69 69 VAL CG1 C 21.4 0.02 2 722 69 69 VAL CG2 C 19.5 0.02 2 723 69 69 VAL N N 116.5 0.2 1 724 70 70 ILE H H 8.48 0.02 1 725 70 70 ILE HA H 4.35 0.02 1 726 70 70 ILE HB H 1.68 0.02 1 727 70 70 ILE HD1 H 0.38 0.02 1 728 70 70 ILE HG12 H 0.84 0.02 2 729 70 70 ILE HG13 H 1.35 0.02 2 730 70 70 ILE HG2 H 0.83 0.02 1 731 70 70 ILE C C 176.4 0.2 1 732 70 70 ILE CA C 61.3 0.2 1 733 70 70 ILE CB C 38.2 0.2 1 734 70 70 ILE CD1 C 13.0 0.2 1 735 70 70 ILE CG1 C 27.8 0.2 1 736 70 70 ILE CG2 C 17.8 0.2 1 737 70 70 ILE N N 123.1 0.2 1 738 71 71 SER H H 8.77 0.02 1 739 71 71 SER HA H 4.55 0.02 1 740 71 71 SER HB2 H 3.73 0.02 2 741 71 71 SER HB3 H 3.73 0.02 2 742 71 71 SER C C 174.2 0.2 1 743 71 71 SER CA C 57.7 0.2 1 744 71 71 SER CB C 64.1 0.2 1 745 71 71 SER N N 122.2 0.2 1 746 72 72 ASP H H 8.47 0.02 1 747 72 72 ASP HA H 4.72 0.02 1 748 72 72 ASP HB2 H 2.73 0.02 2 749 72 72 ASP HB3 H 2.73 0.02 2 750 72 72 ASP C C 176.1 0.2 1 751 72 72 ASP CA C 54.2 0.2 1 752 72 72 ASP CB C 41.2 0.2 1 753 72 72 ASP N N 122.7 0.2 1 754 73 73 GLN H H 8.49 0.02 1 755 73 73 GLN HA H 4.31 0.02 1 756 73 73 GLN HB2 H 1.95 0.02 2 757 73 73 GLN HB3 H 2.07 0.02 2 758 73 73 GLN HG2 H 2.30 0.02 2 759 73 73 GLN HG3 H 2.30 0.02 2 760 73 73 GLN C C 176.0 0.2 1 761 73 73 GLN CA C 56.1 0.2 1 762 73 73 GLN CB C 29.2 0.2 1 763 73 73 GLN CG C 33.8 0.2 1 764 73 73 GLN N N 120.3 0.2 1 765 74 74 LEU H H 8.25 0.02 1 766 74 74 LEU HA H 4.25 0.02 1 767 74 74 LEU HB2 H 1.45 0.02 2 768 74 74 LEU HB3 H 1.54 0.02 2 769 74 74 LEU HD1 H 0.85 0.02 2 770 74 74 LEU HD2 H 0.81 0.02 2 771 74 74 LEU HG H 1.53 0.02 1 772 74 74 LEU C C 177.1 0.2 1 773 74 74 LEU CA C 55.2 0.2 1 774 74 74 LEU CB C 42.1 0.2 1 775 74 74 LEU CD1 C 24.9 0.02 2 776 74 74 LEU CD2 C 23.3 0.02 2 777 74 74 LEU CG C 27.0 0.2 1 778 74 74 LEU N N 123.0 0.2 1 779 75 75 GLU H H 8.26 0.02 1 780 75 75 GLU HA H 4.17 0.02 1 781 75 75 GLU HB2 H 1.87 0.02 2 782 75 75 GLU HB3 H 1.87 0.02 2 783 75 75 GLU HG2 H 2.16 0.02 2 784 75 75 GLU HG3 H 2.21 0.02 2 785 75 75 GLU C C 176.2 0.2 1 786 75 75 GLU CA C 56.3 0.2 1 787 75 75 GLU CB C 29.8 0.2 1 788 75 75 GLU CG C 35.3 0.2 1 789 75 75 GLU N N 120.7 0.2 1 790 76 76 HIS H H 8.48 0.02 1 791 76 76 HIS HA H 4.61 0.02 1 792 76 76 HIS HB2 H 3.11 0.02 2 793 76 76 HIS HB3 H 3.11 0.02 2 794 76 76 HIS C C 174.2 0.2 1 795 76 76 HIS CA C 55.1 0.2 1 796 76 76 HIS CB C 28.7 0.2 1 797 76 76 HIS N N 119.1 0.2 1 798 77 77 HIS H H 8.54 0.02 1 799 77 77 HIS HA H 4.62 0.02 1 800 77 77 HIS HB2 H 3.15 0.02 2 801 77 77 HIS HB3 H 3.15 0.02 2 802 77 77 HIS C C 174.1 0.2 1 803 77 77 HIS CA C 55.3 0.2 1 804 77 77 HIS CB C 28.9 0.2 1 805 77 77 HIS N N 118.7 0.2 1 806 78 78 HIS H H 8.63 0.02 1 807 78 78 HIS HA H 4.66 0.02 1 808 78 78 HIS HB2 H 3.16 0.02 2 809 78 78 HIS HB3 H 3.16 0.02 2 810 78 78 HIS C C 174.1 0.2 1 811 78 78 HIS CA C 55.2 0.2 1 812 78 78 HIS CB C 29.1 0.2 1 813 78 78 HIS N N 119.5 0.2 1 814 79 79 HIS H H 8.69 0.02 1 815 79 79 HIS HA H 4.66 0.02 1 816 79 79 HIS HB2 H 3.15 0.02 2 817 79 79 HIS HB3 H 3.15 0.02 2 818 79 79 HIS C C 173.9 0.2 1 819 79 79 HIS CA C 55.2 0.2 1 820 79 79 HIS CB C 29.1 0.2 1 821 79 79 HIS N N 120.4 0.2 1 822 80 80 HIS H H 8.59 0.02 1 823 80 80 HIS HA H 4.63 0.02 1 824 80 80 HIS HB2 H 3.21 0.02 2 825 80 80 HIS HB3 H 3.21 0.02 2 826 80 80 HIS C C 173.4 0.2 1 827 80 80 HIS CA C 55.4 0.2 1 828 80 80 HIS CB C 29.3 0.2 1 829 80 80 HIS N N 120.6 0.2 1 830 81 81 HIS H H 8.41 0.02 1 831 81 81 HIS HA H 4.43 0.02 1 832 81 81 HIS CA C 57.0 0.2 1 833 81 81 HIS CB C 29.4 0.2 1 834 81 81 HIS N N 125.6 0.2 1 stop_ save_ save_spectral_peak_list_1 _Saveframe_category spectral_peak_list _Details . _Experiment_label '3D 1H-15N NOESY' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 1H H 2 15N N 3 1H HN stop_ _Sample_label $sample_1 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_1 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_1 >> _Spectral_peak_list.Entry_ID 15338 >> _Spectral_peak_list.ID 1 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 11 >> _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >> w1 w2 w3 Data Height >> >> 123.637 4.796 8.855 1179526 >> 122.134 1.576 8.592 1037262 >> 122.605 8.359 9.209 904487 >> 122.099 5.184 9.241 845273 >> 122.139 1.954 9.241 319540 >> 124.932 8.130 8.638 232180 >> 124.983 0.704 8.634 396798 >> 126.351 2.320 8.597 338878 >> 123.347 1.328 9.087 268239 >> 118.490 2.432 9.068 211474 >> 122.208 0.503 8.185 194049 >> 121.523 4.267 8.483 2020578 >> 120.633 4.798 8.591 3665997 >> 122.177 4.338 8.980 511859 >> 116.029 2.807 7.846 181430 >> 116.013 1.713 7.841 228597 >> 117.785 2.796 7.887 179780 >> 117.720 1.475 7.881 277530 >> 117.509 2.793 7.721 286530 >> 122.143 8.652 9.244 321666 >> 122.130 4.663 9.239 329141 >> 120.381 4.802 9.202 239882 >> 109.055 8.194 8.610 271299 >> 118.555 2.686 8.945 431173 >> 115.977 3.394 7.382 321611 >> 108.003 9.151 7.613 224105 >> 108.042 7.180 7.611 244334 >> 108.025 2.761 7.611 812002 >> 128.554 5.036 8.749 358766 >> 126.054 2.089 9.037 1482901 >> 115.403 3.832 8.087 274389 >> 116.507 9.243 8.662 308698 >> 116.503 2.650 8.666 244154 >> 123.000 8.461 8.241 451340 >> 123.048 4.871 8.254 224317 >> 119.060 4.797 8.487 1375526 >> 119.058 3.057 8.484 697775 >> 118.707 4.795 8.543 2280124 >> 119.483 4.795 8.628 2414992 >> 120.380 4.797 8.687 2624749 >> 125.619 4.800 8.412 1027442 >> 110.324 7.376 6.607 5164369 >> 110.323 6.602 7.380 6285368 >> 110.221 2.463 7.380 312496 >> 110.176 2.270 7.382 247538 >> 111.881 7.579 6.862 5391356 >> 111.875 6.861 7.583 5776882 >> 111.834 2.508 7.583 381038 >> 112.250 7.599 6.967 4187119 >> 112.104 2.231 7.605 471487 >> 112.216 2.226 6.966 197078 >> 112.885 7.426 6.902 5777898 >> 112.874 6.899 7.424 6191649 >> 112.800 2.429 7.423 387800 >> 112.596 7.556 6.846 6015115 >> 112.557 7.543 6.916 4734812 >> 112.585 6.876 7.560 8424386 >> 112.432 2.301 7.556 369716 >> 112.421 2.685 7.571 265208 >> 115.716 7.724 7.178 4251129 >> 115.706 7.177 7.729 4242663 >> 115.563 2.989 7.730 504436 >> 115.563 2.512 7.728 263742 >> 115.652 2.991 7.175 241418 >> 110.398 2.248 6.606 101333 >> 110.246 2.448 6.608 148523 >> 115.621 3.313 7.729 184498 >> 115.689 3.330 7.177 110658 >> 112.869 2.443 6.902 127660 >> 111.839 2.500 6.863 151362 >> 112.242 2.122 6.966 136674 >> 115.006 8.367 7.556 575684 >> 114.997 3.587 7.557 168763 >> 114.975 3.387 7.557 195905 >> 123.672 2.813 8.260 769556 >> 123.675 3.233 8.259 754863 >> 123.656 1.618 8.259 399640 >> 129.013 0.809 9.256 170646 >> 124.118 0.953 8.168 161002 >> 122.071 2.324 9.242 635516 >> 122.106 1.816 9.241 257431 >> 122.078 0.941 9.237 177031 >> 130.837 1.801 9.164 150564 >> 123.472 4.334 7.272 147400 >> 122.221 0.407 8.769 131101 >> 120.359 7.595 8.488 198717 >> 119.076 8.000 8.477 253513 >> 124.440 7.261 8.738 133171 >> 123.738 7.723 8.258 177046 >> 116.741 8.609 8.130 95540 >> 126.442 9.196 8.211 149403 >> 122.691 8.755 8.461 217617 >> 122.554 4.277 9.216 163460 >> 115.965 4.581 7.846 112369 >> 116.013 4.043 7.843 179343 >> 117.771 5.000 7.884 113741 >> 116.588 4.142 7.965 251828 >> 125.590 4.315 8.699 187607 >> 130.790 7.631 9.172 104262 >> 115.045 3.020 7.551 183997 >> 116.005 3.240 7.841 429145 >> 123.643 4.166 8.855 2475615 >> 123.679 2.213 8.853 735323 >> 123.648 4.449 8.853 522766 >> 123.617 1.910 8.855 898032 >> 123.615 2.004 8.852 581143 >> 122.130 4.446 8.591 3038700 >> 122.117 1.942 8.592 252453 >> 122.100 2.018 8.593 319993 >> 122.161 2.242 8.593 255482 >> 122.123 4.326 8.593 717965 >> 122.083 0.644 8.588 137835 >> 122.133 1.037 8.589 509493 >> 122.103 0.776 8.590 313725 >> 122.173 8.138 8.589 282237 >> 116.775 4.304 8.126 3398466 >> 116.750 1.595 8.127 327880 >> 116.771 0.788 8.130 456899 >> 116.782 4.531 8.126 476790 >> 116.774 3.610 8.124 380559 >> 116.754 0.919 8.128 493678 >> 116.726 0.385 8.124 155958 >> 125.656 4.533 8.700 1497438 >> 125.664 3.603 8.698 602133 >> 125.590 3.981 8.697 382264 >> 125.679 2.782 8.699 806877 >> 125.654 3.135 8.699 803788 >> 125.556 0.392 8.696 160636 >> 125.616 0.814 8.698 253560 >> 125.679 1.510 8.701 389972 >> 122.505 3.152 9.209 240237 >> 122.625 3.537 9.211 341426 >> 122.506 1.764 9.215 333466 >> 122.595 3.818 9.211 491628 >> 122.570 2.405 9.210 1047283 >> 122.480 0.800 9.215 385479 >> 122.581 0.928 9.211 759000 >> 122.590 7.539 9.204 205881 >> 115.036 8.681 7.557 314621 >> 114.977 2.781 7.556 275028 >> 115.009 3.135 7.554 645904 >> 115.045 2.424 7.550 157128 >> 115.015 4.464 7.555 1531048 >> 124.513 0.921 8.784 248540 >> 124.534 4.777 8.791 2088696 >> 124.528 3.315 8.790 937699 >> 124.532 3.539 8.790 409017 >> 124.518 4.301 8.791 799630 >> 124.526 1.397 8.790 2304196 >> 121.332 4.548 8.473 785466 >> 121.220 4.302 8.475 2211214 >> 121.196 1.180 8.475 358841 >> 121.203 1.457 8.477 1333725 >> 121.193 0.401 8.476 213148 >> 120.318 1.175 8.596 740519 >> 120.353 1.445 8.593 336606 >> 120.309 0.808 8.595 336591 >> 120.335 2.395 8.590 252966 >> 120.326 2.106 8.595 1193918 >> 120.342 9.126 8.596 406405 >> 120.358 4.613 8.596 2569225 >> 126.502 8.606 9.002 361038 >> 126.526 4.580 9.003 3344860 >> 126.556 2.347 8.999 177268 >> 126.523 4.445 9.000 581081 >> 126.537 1.431 9.002 957101 >> 126.516 1.783 9.002 959987 >> 126.523 1.297 9.002 424714 >> 125.122 4.451 8.665 2218616 >> 124.983 1.431 8.646 438743 >> 125.083 1.292 8.659 647548 >> 125.117 2.671 8.663 416139 >> 125.157 7.709 8.665 225068 >> 125.136 5.243 8.667 483286 >> 124.979 1.779 8.649 360257 >> 125.119 4.840 8.659 464971 >> 124.996 2.547 8.653 661874 >> 114.409 1.321 8.872 292656 >> 114.410 4.841 8.872 2568540 >> 114.439 2.560 8.871 246743 >> 114.415 3.563 8.872 1776840 >> 114.412 3.999 8.872 971963 >> 126.335 3.564 8.604 708330 >> 126.316 3.997 8.605 1897659 >> 126.312 2.933 8.605 685168 >> 126.325 7.709 8.605 1018839 >> 112.215 3.993 7.711 277538 >> 112.242 8.614 7.708 1045307 >> 112.268 4.599 7.709 424436 >> 112.199 2.936 7.701 163626 >> 112.243 5.121 7.709 608333 >> 112.262 4.146 7.709 424196 >> 112.225 1.174 7.712 436969 >> 112.185 0.442 7.704 205196 >> 123.377 5.116 9.085 1780913 >> 123.370 4.143 9.085 798655 >> 123.347 5.248 9.089 379244 >> 123.370 1.200 9.085 955928 >> 120.047 8.607 9.126 357741 >> 119.988 2.099 9.138 205048 >> 119.975 4.440 9.136 206019 >> 119.983 5.243 9.132 1521256 >> 119.982 1.202 9.133 629699 >> 120.057 5.553 9.134 332063 >> 119.971 3.142 9.131 936804 >> 129.194 0.809 8.912 202335 >> 129.159 5.553 8.908 2011342 >> 129.149 3.139 8.908 226497 >> 129.179 4.700 8.910 335787 >> 129.152 2.849 8.910 794642 >> 129.176 6.910 8.908 274022 >> 128.818 0.811 9.035 165411 >> 128.778 4.695 9.032 1914335 >> 128.867 2.844 9.031 156010 >> 128.768 4.122 9.033 600542 >> 128.778 2.155 9.032 1572324 >> 128.802 2.466 9.033 541025 >> 128.769 8.366 9.032 587505 >> 119.853 9.026 8.364 442696 >> 119.831 2.147 8.364 301072 >> 119.817 3.902 8.368 335357 >> 119.831 4.486 8.369 628742 >> 119.812 9.577 8.363 345067 >> 123.682 8.361 9.577 445805 >> 123.642 4.485 9.577 552055 >> 123.687 1.099 9.575 216572 >> 123.671 3.894 9.580 350589 >> 123.661 2.618 9.576 407400 >> 123.655 2.868 9.578 404490 >> 123.646 7.720 9.580 445378 >> 121.378 4.129 7.716 181374 >> 121.378 9.572 7.717 735187 >> 121.413 2.625 7.716 188389 >> 121.409 3.825 7.717 2089761 >> 121.406 1.374 7.716 570108 >> 121.403 6.906 7.716 680458 >> 121.410 2.866 7.713 258123 >> 116.008 8.907 6.905 186234 >> 116.078 2.857 6.909 302174 >> 116.027 7.707 6.908 342057 >> 116.039 3.832 6.909 488851 >> 116.043 4.458 6.909 226179 >> 116.058 1.165 6.908 388698 >> 118.085 1.198 9.199 256442 >> 118.089 5.598 9.202 1927608 >> 118.088 4.888 9.199 291588 >> 118.104 3.177 9.204 306491 >> 118.122 7.059 9.199 368897 >> 118.096 2.453 9.199 978733 >> 118.383 4.884 9.070 1758153 >> 118.401 3.178 9.067 456240 >> 118.409 4.757 9.070 585210 >> 118.398 3.920 9.070 1089647 >> 118.331 0.837 9.067 198227 >> 122.202 5.137 8.186 609451 >> 122.193 4.748 8.185 2161178 >> 122.180 3.927 8.183 534036 >> 122.183 1.487 8.180 680555 >> 122.164 1.346 8.181 870941 >> 128.132 4.675 8.556 1347832 >> 128.043 1.830 8.553 153664 >> 128.082 2.225 8.550 147345 >> 128.135 3.999 8.558 252927 >> 128.110 0.948 8.556 823876 >> 124.441 3.985 8.733 1254357 >> 124.453 0.938 8.738 304580 >> 124.505 4.561 8.734 292260 >> 124.459 0.800 8.736 370210 >> 124.474 1.642 8.736 415666 >> 124.439 0.519 8.733 231864 >> 124.548 1.455 8.734 408953 >> 124.465 -0.606 8.735 235473 >> 124.452 5.159 8.730 207514 >> 123.701 4.552 8.258 1446626 >> 123.679 0.523 8.256 365371 >> 123.675 0.800 8.260 653381 >> 122.172 3.364 8.979 213886 >> 122.154 4.598 8.978 464557 >> 122.162 1.150 8.980 970372 >> 122.170 1.756 8.980 845443 >> 122.168 7.847 8.979 1176502 >> 115.991 8.977 7.841 832691 >> 115.998 1.153 7.840 368458 >> 115.991 4.995 7.839 334295 >> 116.062 2.987 7.839 218113 >> 117.738 4.043 7.884 1497522 >> 117.773 2.021 7.884 299725 >> 117.718 3.235 7.885 415045 >> 117.543 8.262 7.720 216802 >> 117.512 4.038 7.721 379162 >> 117.522 4.708 7.724 361274 >> 117.520 2.139 7.721 1037583 >> 117.525 2.425 7.721 715225 >> 117.531 3.233 7.721 753263 >> 124.136 4.569 8.168 1913779 >> 124.148 2.283 8.166 162745 >> 124.158 0.518 8.169 540712 >> 124.186 0.799 8.168 205167 >> 124.107 1.565 8.164 780682 >> 124.107 1.459 8.164 916256 >> 122.089 4.459 9.242 1816009 >> 122.088 0.803 9.241 505002 >> 122.098 1.465 9.244 779829 >> 122.084 2.122 9.242 664810 >> 122.102 0.531 9.241 314678 >> 122.078 1.323 9.245 324455 >> 126.361 4.485 8.597 2373328 >> 126.353 2.447 8.597 277031 >> 126.359 4.264 8.596 462617 >> 126.363 1.946 8.598 991520 >> 126.389 0.661 8.594 250905 >> 126.374 0.981 8.598 841460 >> 130.185 4.259 8.947 2565151 >> 130.190 0.657 8.947 602853 >> 130.175 0.973 8.948 283245 >> 130.203 4.510 8.949 455316 >> 130.199 1.465 8.946 757542 >> 130.191 0.568 8.947 538555 >> 130.184 1.308 8.946 783644 >> 130.146 2.409 8.960 152659 >> 130.185 5.145 8.947 219754 >> 130.220 8.621 8.947 423724 >> 123.712 4.508 8.515 2592320 >> 123.714 0.579 8.512 346756 >> 123.743 4.819 8.510 649487 >> 123.685 1.658 8.514 996470 >> 123.708 1.288 8.514 852965 >> 126.349 4.829 8.214 2842036 >> 126.321 1.744 8.213 338722 >> 126.360 4.535 8.213 1061709 >> 126.352 1.292 8.214 1068519 >> 126.439 7.801 8.216 501008 >> 120.340 8.215 9.198 178552 >> 120.402 4.529 9.198 2661739 >> 120.401 1.289 9.199 741024 >> 120.406 4.077 9.198 2309966 >> 120.398 2.877 9.196 359017 >> 120.390 3.077 9.204 342284 >> 120.389 8.616 9.197 686964 >> 108.992 9.196 8.615 503828 >> 108.924 2.876 8.616 286387 >> 108.972 3.068 8.618 257000 >> 108.964 3.663 8.616 1872921 >> 109.000 7.805 8.616 846852 >> 108.967 4.074 8.616 2154899 >> 123.965 8.221 7.818 499783 >> 123.954 8.619 7.816 875912 >> 123.973 3.659 7.815 387651 >> 123.965 4.071 7.816 527596 >> 123.961 4.618 7.813 932393 >> 123.967 1.373 7.815 1710630 >> 119.615 4.613 8.101 3492683 >> 119.614 1.375 8.102 1265587 >> 119.622 1.787 8.101 1249382 >> 119.649 0.551 8.100 382082 >> 119.630 0.725 8.102 781716 >> 124.952 4.550 8.638 2528056 >> 124.957 0.546 8.636 644910 >> 124.925 5.019 8.635 483089 >> 124.936 2.409 8.638 727703 >> 124.984 8.926 8.639 341214 >> 118.542 0.937 8.945 349359 >> 118.484 0.513 8.944 173430 >> 118.543 5.022 8.945 1841821 >> 118.529 2.434 8.947 425435 >> 118.554 2.547 8.945 882979 >> 118.539 2.909 8.946 798910 >> 118.534 6.902 8.946 585317 >> 123.147 1.436 9.252 332375 >> 123.046 4.260 9.242 149456 >> 123.048 0.541 9.244 207588 >> 123.116 5.131 9.246 1689631 >> 123.083 6.908 9.246 198651 >> 123.134 2.625 9.246 676380 >> 123.107 2.918 9.247 861976 >> 130.837 0.803 9.167 278694 >> 130.738 0.578 9.171 153502 >> 130.849 5.035 9.164 1160430 >> 130.856 2.915 9.164 254164 >> 130.842 4.680 9.165 288208 >> 130.830 2.736 9.166 659007 >> 129.010 4.684 9.258 1232325 >> 128.991 4.306 9.260 446159 >> 128.988 2.112 9.259 560709 >> 129.015 2.333 9.258 374077 >> 128.966 2.508 9.259 531506 >> 122.289 4.709 9.100 200516 >> 122.364 4.306 9.100 325325 >> 122.428 2.121 9.102 191184 >> 122.358 4.853 9.096 478388 >> 122.355 2.528 9.099 758930 >> 122.355 2.987 9.098 611983 >> 122.355 7.180 9.098 600184 >> 122.409 7.385 9.105 174812 >> 104.307 4.306 7.182 152767 >> 104.231 9.093 7.183 608714 >> 104.251 4.854 7.183 389285 >> 104.264 2.997 7.180 136341 >> 104.239 3.447 7.181 958068 >> 104.236 4.001 7.180 557962 >> 104.305 7.362 7.179 460759 >> 115.993 2.752 7.382 477186 >> 115.915 9.107 7.380 149540 >> 115.948 7.187 7.385 686889 >> 115.956 3.997 7.383 186527 >> 115.979 4.631 7.383 368093 >> 115.989 2.969 7.383 632830 >> 116.034 7.603 7.382 571828 >> 108.000 7.384 7.612 632953 >> 108.046 4.609 7.610 194594 >> 108.030 2.921 7.611 1431389 >> 108.031 3.701 7.611 671318 >> 124.368 2.920 8.448 683311 >> 124.385 3.692 8.449 1386116 >> 124.357 4.618 8.446 426624 >> 124.307 0.936 8.450 276945 >> 124.313 1.657 8.449 2305905 >> 128.564 2.910 8.743 138108 >> 128.557 4.612 8.748 1770455 >> 128.562 1.660 8.749 582133 >> 128.585 0.930 8.747 278309 >> 128.550 4.215 8.748 333917 >> 128.550 0.581 8.749 177291 >> 128.588 1.184 8.745 209614 >> 128.556 0.753 8.748 244106 >> 128.551 1.805 8.749 1079949 >> 121.719 4.217 8.488 3126031 >> 121.675 0.590 8.486 378531 >> 121.668 0.736 8.488 815549 >> 121.649 4.380 8.486 838135 >> 121.679 3.781 8.485 1166816 >> 121.719 4.098 8.488 1203950 >> 126.046 4.378 9.037 2945035 >> 126.037 4.079 9.037 574232 >> 126.043 3.906 9.036 985125 >> 126.054 1.704 9.038 601299 >> 126.046 8.084 9.037 626458 >> 115.506 4.355 8.087 241785 >> 115.401 9.032 8.087 605177 >> 115.412 3.892 8.088 312857 >> 115.404 2.068 8.087 534409 >> 115.398 4.181 8.089 1030662 >> 115.396 1.821 8.089 1628608 >> 115.407 1.439 8.088 721755 >> 116.567 0.741 7.971 175451 >> 116.539 3.794 7.967 229385 >> 116.588 4.260 7.966 707797 >> 116.605 1.618 7.966 1124090 >> 116.578 1.869 7.968 543649 >> 116.570 1.475 7.968 572738 >> 116.589 6.809 7.966 1391788 >> 116.586 0.223 7.967 184454 >> 119.575 0.736 6.813 236394 >> 119.598 3.906 6.807 268150 >> 119.531 1.843 6.804 153837 >> 119.574 7.963 6.805 1450674 >> 119.576 4.261 6.806 327880 >> 119.553 1.628 6.807 223837 >> 119.571 2.783 6.805 576313 >> 119.576 1.345 6.806 1572824 >> 119.544 -0.602 6.810 280419 >> 119.575 0.231 6.807 1351121 >> 123.471 8.726 7.259 167425 >> 123.476 1.668 7.265 139127 >> 123.484 3.365 7.263 197282 >> 123.440 0.502 7.263 142728 >> 123.497 0.753 7.261 148226 >> 123.475 2.787 7.266 1672807 >> 123.422 1.348 7.278 152651 >> 123.469 -0.602 7.266 592868 >> 123.449 0.227 7.266 166807 >> 123.476 4.835 7.268 361627 >> 123.463 2.345 7.265 659153 >> 123.478 2.550 7.266 524839 >> 109.210 2.325 6.785 117576 >> 109.228 2.346 7.140 175168 >> 109.256 2.553 6.784 137193 >> 109.089 2.547 7.136 247805 >> 109.254 6.779 7.137 5091992 >> 109.247 7.135 6.784 4988484 >> 109.197 0.760 6.784 180265 >> 109.216 0.772 7.134 123113 >> 123.411 -0.604 8.187 160442 >> 123.285 4.834 8.182 1976464 >> 123.231 5.160 8.180 444648 >> 123.279 2.703 8.181 857307 >> 123.282 6.926 8.182 335489 >> 116.545 3.987 8.661 203301 >> 116.520 5.164 8.664 1849093 >> 116.520 4.528 8.666 417440 >> 116.545 2.054 8.669 292572 >> 116.513 0.780 8.664 887780 >> 123.138 2.060 8.475 957052 >> 123.120 4.354 8.474 463369 >> 123.178 1.667 8.472 1435235 >> 123.152 1.347 8.474 590443 >> 122.917 4.531 8.470 2454486 >> 123.074 0.806 8.476 1023326 >> 122.222 5.186 8.768 346020 >> 122.216 0.528 8.765 172079 >> 122.202 4.344 8.766 2086946 >> 122.197 1.675 8.768 170321 >> 122.212 0.819 8.766 635725 >> 122.211 4.533 8.765 524229 >> 122.216 3.725 8.765 773936 >> 122.341 8.449 8.765 386556 >> 122.694 3.722 8.461 589915 >> 122.690 4.718 8.465 710487 >> 122.674 2.720 8.464 1310156 >> 120.300 4.712 8.488 1845129 >> 120.300 2.720 8.489 624944 >> 120.236 4.308 8.490 797729 >> 120.257 1.938 8.489 959196 >> 120.303 2.071 8.488 664776 >> 120.282 2.290 8.488 555338 >> 122.936 4.295 8.254 1938725 >> 122.951 1.932 8.250 250154 >> 122.944 2.062 8.249 179114 >> 122.941 2.297 8.253 312915 >> 123.038 0.832 8.257 154362 >> 122.947 1.529 8.254 1606201 >> 120.733 4.248 8.258 1999322 >> 120.791 1.448 8.257 461201 >> 120.738 0.830 8.255 136005 >> 120.756 2.176 8.258 328754 >> 120.727 1.870 8.259 1426952 >> 119.056 4.163 8.485 1975483 >> 119.125 1.869 8.483 382710 >> 119.033 4.609 8.484 771336 >> 118.694 3.089 8.542 405541 >> 118.677 4.614 8.543 1061550 >> 119.525 4.631 8.618 593856 >> 119.407 3.134 8.628 365043 >> 120.351 4.643 8.682 568112 >> 120.360 3.163 8.685 259479 >> 120.573 3.191 8.594 275695 >> 125.653 4.620 8.408 704557 >> 125.641 3.197 8.410 249325 >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 1H 1 H . 6898.236 . . . 15338 1 >> 2 15N 15 N . 2000.000 . . . 15338 1 >> 3 1H 1 HN . 10787.487 . . . 15338 1 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_2 _Saveframe_category spectral_peak_list _Details . _Experiment_label '3D 1H-13C NOESY' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 1H H 2 13C C 3 1H 'Aliphatic H' stop_ _Sample_label $sample_1 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_2 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_2 >> _Spectral_peak_list.Entry_ID 15338 >> _Spectral_peak_list.ID 2 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 12 >> _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY' >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >> w1 w2 w3 Data Height >> >> 52.983 8.211 5.604 1008580 >> 53.190 9.243 5.190 3197217 >> 56.350 8.745 5.046 917215 >> 57.616 2.685 5.163 2131710 >> 58.384 7.675 5.001 1193116 >> 64.174 8.765 3.755 1477480 >> 64.123 1.820 3.757 803016 >> 64.274 0.801 3.760 638882 >> 61.470 1.266 4.563 601556 >> 52.656 8.443 3.825 633840 >> 45.562 7.262 2.928 1020008 >> 45.562 7.267 3.701 882030 >> 14.540 2.614 0.631 1090405 >> 58.223 7.049 4.127 1326032 >> 58.319 1.671 4.378 437590 >> 58.524 2.834 4.380 702613 >> 55.111 2.611 4.172 1009918 >> 39.215 7.572 2.556 654985 >> 43.343 7.107 3.310 2228280 >> 25.872 1.320 0.439 4436860 >> 25.765 2.571 0.438 1602708 >> 23.826 2.640 0.540 792405 >> 37.865 8.216 1.179 872902 >> 54.484 8.208 4.458 6263698 >> 55.239 7.226 4.628 840148 >> 59.597 7.144 4.623 1893273 >> 39.531 7.727 2.990 2653527 >> 37.370 2.915 1.805 823570 >> 65.012 8.395 3.820 532820 >> 45.542 1.290 3.694 547615 >> 44.862 9.245 1.308 535387 >> 44.233 8.213 2.485 1232108 >> 44.223 8.215 2.397 1215025 >> 42.981 7.288 2.559 1327404 >> 42.889 7.118 3.070 1662671 >> 42.965 0.437 2.535 1325994 >> 42.231 6.923 1.654 572098 >> 42.194 7.271 1.660 392908 >> 41.916 2.054 2.992 380593 >> 42.180 0.675 1.540 471935 >> 41.831 1.962 2.866 540304 >> 41.776 0.804 2.814 662348 >> 41.389 1.808 2.919 723959 >> 41.338 0.230 2.906 633825 >> 41.250 1.824 2.715 790040 >> 39.195 7.568 2.679 692701 >> 39.132 6.816 2.554 351053 >> 34.606 7.045 2.471 886818 >> 34.222 7.584 2.509 1322118 >> 34.177 7.601 2.236 1195416 >> 33.840 0.941 2.296 400374 >> 34.149 7.602 2.111 801813 >> 33.873 7.553 2.298 1454758 >> 33.986 7.415 2.440 2157674 >> 33.719 7.383 2.269 800897 >> 32.301 7.666 2.982 3052968 >> 31.866 9.244 1.821 871209 >> 31.363 8.259 3.234 1756527 >> 31.345 8.261 2.813 1821988 >> 31.337 7.866 3.236 1632497 >> 31.314 7.862 2.813 774867 >> 31.330 7.726 3.237 1503176 >> 31.353 7.726 2.812 1016397 >> 31.359 0.803 3.239 1530314 >> 31.358 3.233 2.812 6465064 >> 31.360 2.811 3.239 6497300 >> 29.743 2.925 2.341 870678 >> 29.765 2.923 2.130 696585 >> 29.779 2.642 2.327 457072 >> 29.583 7.616 2.718 803983 >> 28.850 7.968 1.593 657396 >> 28.816 7.114 1.455 645678 >> 28.856 7.103 1.589 514393 >> 28.966 7.230 3.186 1055075 >> 24.771 8.939 0.938 863187 >> 24.676 6.921 0.924 2153020 >> 21.634 3.846 0.520 366837 >> 20.717 7.259 1.290 1154290 >> 21.172 8.950 0.553 703691 >> 21.206 8.386 0.784 1153300 >> 32.097 1.345 2.794 1002511 >> 27.047 0.817 1.754 1932658 >> 24.655 1.491 0.809 4753884 >> 43.000 0.452 2.568 1297158 >> 43.000 7.303 2.522 1103767 >> 21.492 8.192 0.524 1045841 >> 24.929 3.228 0.805 890270 >> 24.745 2.561 0.934 2447810 >> 19.405 9.247 0.775 614827 >> 57.876 2.657 5.171 2012951 >> 55.711 6.920 4.616 823569 >> 28.689 1.884 1.590 1915080 >> 28.673 4.275 1.592 777987 >> 28.759 3.308 1.590 1697152 >> 33.918 6.913 2.292 564063 >> 61.498 8.192 4.559 647006 >> 53.064 8.907 5.600 494684 >> 44.216 1.174 2.489 733483 >> 44.144 1.203 2.401 981504 >> 32.298 7.674 3.321 2622039 >> 55.101 2.208 4.172 4443064 >> 55.103 8.853 4.171 5530854 >> 32.948 4.168 2.209 1770660 >> 32.958 8.857 2.206 700929 >> 56.021 8.846 4.452 1252527 >> 55.861 1.924 4.453 2220044 >> 55.892 2.021 4.453 2730556 >> 55.806 8.593 4.456 8849439 >> 30.365 8.849 1.904 1024357 >> 30.264 8.849 2.027 848872 >> 30.254 4.450 1.915 454853 >> 30.399 4.452 2.021 430470 >> 30.412 8.588 1.905 558837 >> 30.363 8.592 2.038 708172 >> 30.300 1.402 1.916 830014 >> 30.265 1.395 2.029 790598 >> 35.441 0.924 2.231 499319 >> 35.533 0.927 2.311 523524 >> 35.478 1.402 2.235 869315 >> 35.363 1.400 2.311 655489 >> 60.730 8.586 4.311 1425831 >> 60.744 1.598 4.310 2449602 >> 60.685 1.034 4.308 1530038 >> 60.929 0.792 4.316 3381865 >> 60.721 8.126 4.309 9537285 >> 39.523 8.592 1.609 1718088 >> 39.485 4.309 1.606 1014811 >> 39.526 0.629 1.608 2957159 >> 39.520 1.048 1.608 1297121 >> 39.470 8.128 1.612 724515 >> 39.538 1.194 1.611 760710 >> 39.501 0.397 1.608 1610937 >> 39.505 0.785 1.608 2576408 >> 14.503 8.604 0.633 533266 >> 14.496 1.034 0.632 4655809 >> 14.508 1.553 0.632 6288991 >> 14.515 1.216 0.633 1485562 >> 26.627 8.594 1.040 1057779 >> 26.721 8.571 1.531 1366506 >> 26.646 4.309 1.042 688083 >> 26.824 4.287 1.533 824269 >> 26.682 0.634 1.040 4067888 >> 26.675 0.632 1.535 4365741 >> 26.686 1.037 1.536 13912608 >> 26.672 1.534 1.040 13143132 >> 26.696 0.787 1.041 2804097 >> 18.293 8.586 0.784 923174 >> 18.315 4.309 0.780 1939708 >> 18.280 1.600 0.779 4024203 >> 18.317 8.128 0.782 1640909 >> 18.280 0.398 0.782 8771564 >> 18.455 1.374 0.781 808367 >> 59.675 8.132 4.537 1136917 >> 59.658 3.613 4.539 1747547 >> 59.626 0.919 4.538 3005286 >> 59.604 8.700 4.537 4734994 >> 59.624 4.305 4.538 2152070 >> 59.584 0.395 4.544 650307 >> 59.619 1.505 4.537 1530408 >> 71.450 8.125 3.614 1202278 >> 71.453 0.922 3.615 5999212 >> 71.456 8.702 3.615 2399535 >> 71.442 4.503 3.618 914738 >> 21.667 8.126 0.920 1402773 >> 21.673 3.615 0.921 4290694 >> 21.741 8.704 0.918 1182817 >> 21.688 4.300 0.920 1839984 >> 21.709 8.467 0.924 457033 >> 56.789 8.706 3.980 1055585 >> 56.765 2.781 3.981 2213022 >> 56.778 3.172 3.981 4669510 >> 56.778 3.535 3.983 3299658 >> 56.883 1.747 3.983 577105 >> 56.763 0.396 3.981 2772548 >> 56.760 0.806 3.983 2261534 >> 56.828 1.509 3.986 434802 >> 32.065 8.696 2.786 2241084 >> 32.062 8.693 3.132 2570748 >> 32.061 3.981 2.783 1154860 >> 32.013 3.988 3.133 601473 >> 32.054 7.568 3.137 1100966 >> 31.982 0.404 2.793 673288 >> 32.048 0.805 3.133 1172616 >> 31.896 7.045 3.146 982600 >> 63.935 2.194 4.263 7914672 >> 63.956 3.176 4.264 659683 >> 63.909 9.211 4.262 858515 >> 63.894 1.761 4.270 2433505 >> 32.093 4.260 2.194 2628522 >> 31.853 9.240 1.947 989753 >> 31.853 9.240 1.947 989753 >> 32.077 4.265 1.913 2914829 >> 50.494 3.982 3.185 2835920 >> 50.490 3.983 3.535 2485340 >> 50.454 2.190 3.185 803402 >> 50.585 2.185 3.544 561499 >> 50.494 3.181 3.536 7571484 >> 50.494 3.536 3.184 7359117 >> 50.494 1.747 3.184 3286509 >> 50.494 1.750 3.536 2960003 >> 50.503 0.815 3.184 734663 >> 50.472 0.817 3.534 570889 >> 50.465 7.263 3.183 480442 >> 50.502 7.262 3.538 721274 >> 50.504 0.386 3.185 2351367 >> 50.490 0.386 3.534 1364536 >> 27.097 3.182 1.753 2279173 >> 27.124 3.534 1.750 2059315 >> 27.116 9.210 1.748 748690 >> 27.119 0.924 1.747 2190432 >> 27.127 7.263 1.750 1174148 >> 27.142 0.379 1.751 1331932 >> 65.026 9.209 3.819 1648180 >> 64.999 2.410 3.822 1814628 >> 64.997 0.785 3.820 5614516 >> 64.984 0.931 3.821 5825504 >> 32.366 9.212 2.406 2898340 >> 32.382 3.818 2.408 1253452 >> 32.361 0.931 2.407 5135122 >> 32.343 0.786 2.407 5760996 >> 21.141 9.210 0.784 1118170 >> 21.188 3.817 0.784 4864598 >> 21.189 2.408 0.784 8099600 >> 21.249 1.757 0.932 2097856 >> 21.315 9.209 0.932 3218354 >> 21.295 3.816 0.932 4571526 >> 21.302 2.406 0.932 6439382 >> 21.216 7.265 0.931 1349955 >> 58.854 2.432 4.561 3909561 >> 58.858 2.995 4.561 4066618 >> 32.056 4.557 2.442 580442 >> 32.003 4.556 2.996 511080 >> 32.048 2.995 2.437 10932059 >> 32.033 0.793 3.003 647729 >> 32.313 8.370 2.409 2340422 >> 32.040 1.095 2.438 810319 >> 31.998 1.103 2.993 1089455 >> 32.046 2.433 2.995 11532845 >> 56.917 3.612 4.466 1514201 >> 56.891 0.924 4.466 1327889 >> 56.933 7.555 4.465 3803294 >> 56.887 3.375 4.466 2397913 >> 25.922 4.472 3.356 388976 >> 25.902 4.464 3.461 549927 >> 29.822 3.318 3.541 9973913 >> 29.827 3.538 3.320 9605943 >> 29.856 8.671 3.318 799615 >> 29.851 8.673 3.540 1071354 >> 29.820 8.791 3.321 1627887 >> 29.787 8.781 3.540 956655 >> 53.376 0.922 4.301 2621294 >> 53.409 8.787 4.303 1879561 >> 53.351 1.400 4.302 6979012 >> 53.380 8.480 4.301 6787780 >> 18.659 0.918 1.403 2365340 >> 18.665 8.792 1.401 7343314 >> 18.667 4.300 1.401 3960649 >> 18.672 8.480 1.400 2121762 >> 53.553 1.179 4.616 2605046 >> 53.723 0.429 4.605 1656300 >> 53.488 0.806 4.618 3784573 >> 53.575 8.603 4.616 4894372 >> 53.583 1.481 4.614 2690403 >> 44.182 8.491 1.174 749640 >> 44.117 8.482 1.447 1242237 >> 44.200 1.460 1.173 7397420 >> 44.200 0.400 1.175 2081324 >> 44.200 0.401 1.450 2355330 >> 44.186 0.805 1.173 1981044 >> 43.969 0.803 1.450 1952142 >> 44.123 8.591 1.169 972485 >> 44.100 8.610 1.447 524354 >> 44.178 1.176 1.451 7678328 >> 26.303 3.981 0.399 1039541 >> 26.377 2.794 0.399 585972 >> 26.360 3.165 0.399 684883 >> 26.459 8.481 0.400 870199 >> 26.444 1.500 0.400 8247446 >> 26.343 1.200 0.400 6254154 >> 26.372 0.803 0.399 9318667 >> 26.337 7.061 0.397 827344 >> 24.342 3.986 0.808 1081062 >> 24.513 2.801 0.808 6056995 >> 24.358 3.141 0.809 1106534 >> 24.511 4.653 0.807 434625 >> 24.303 8.616 0.812 826090 >> 24.337 7.271 0.808 1435167 >> 24.364 7.062 0.807 791999 >> 26.804 8.488 1.517 1546195 >> 54.695 2.372 4.586 1471021 >> 54.700 2.467 4.585 999447 >> 54.684 2.109 4.586 4797674 >> 54.693 9.007 4.586 7043863 >> 30.292 8.601 2.110 2582246 >> 30.301 4.581 2.110 562210 >> 30.286 3.142 2.111 1514118 >> 34.477 8.606 2.373 555208 >> 34.174 8.601 2.461 565825 >> 56.549 9.010 4.450 1079011 >> 56.369 1.428 4.447 2063345 >> 56.424 1.787 4.445 1601646 >> 56.419 1.280 4.446 2795930 >> 56.378 8.662 4.447 6558972 >> 56.416 5.243 4.445 1613716 >> 56.496 9.112 4.450 757454 >> 56.383 2.557 4.449 566139 >> 31.788 9.007 1.441 1107634 >> 31.796 9.006 1.785 1618538 >> 31.832 1.437 1.784 11232891 >> 31.826 1.783 1.443 9337154 >> 31.773 2.541 1.443 1029638 >> 31.773 2.537 1.784 970307 >> 42.960 0.634 2.565 507739 >> 43.000 1.769 2.525 705507 >> 42.969 1.784 2.565 804621 >> 43.000 1.312 2.529 2834127 >> 42.958 1.307 2.557 3002568 >> 27.600 2.557 1.297 2547522 >> 27.705 2.562 1.333 2575284 >> 27.599 8.682 1.304 788482 >> 27.689 8.670 1.332 747799 >> 39.222 8.675 2.556 1129393 >> 39.245 8.667 2.685 1063140 >> 39.536 7.725 2.534 1408930 >> 47.298 8.875 3.567 3351256 >> 47.300 8.876 4.005 2426946 >> 47.285 3.565 4.002 10430006 >> 47.277 3.999 3.568 10001033 >> 47.299 8.608 3.566 2377804 >> 47.286 8.609 4.002 3971338 >> 53.805 2.920 4.604 4394801 >> 40.303 8.607 2.955 897284 >> 40.269 8.609 2.903 1043045 >> 60.463 7.710 5.124 1124785 >> 60.429 4.144 5.121 2343121 >> 60.433 1.179 5.121 3624830 >> 60.445 9.085 5.121 5066420 >> 60.431 8.182 5.121 1170961 >> 60.451 1.352 5.123 1803737 >> 72.393 7.709 4.146 1049050 >> 72.342 5.121 4.147 948803 >> 72.352 1.173 4.148 6863980 >> 72.368 9.087 4.148 2585484 >> 72.401 2.476 4.145 674716 >> 21.480 7.711 1.178 1107698 >> 21.524 5.119 1.177 583382 >> 21.479 4.147 1.176 4475016 >> 21.486 9.085 1.175 1238344 >> 21.509 2.469 1.178 790958 >> 50.312 4.447 5.247 1251480 >> 50.372 8.663 5.245 1340220 >> 50.308 1.210 5.246 5430003 >> 50.329 9.125 5.246 5364205 >> 23.900 1.464 1.211 2764546 >> 23.915 0.412 1.213 10117362 >> 24.006 0.809 1.216 3988264 >> 23.946 8.644 1.214 646889 >> 23.916 5.245 1.214 2318752 >> 23.924 2.454 1.214 1649604 >> 23.887 3.170 1.213 583576 >> 23.931 7.055 1.211 730268 >> 23.923 9.108 1.214 3918099 >> 54.608 9.159 5.550 1261765 >> 54.656 3.142 5.551 2948531 >> 54.651 8.909 5.551 4630714 >> 31.932 2.111 3.144 1652215 >> 31.906 9.137 3.147 1882770 >> 31.927 5.551 3.145 1406233 >> 58.023 0.804 4.693 3779413 >> 57.922 2.852 4.685 1554232 >> 57.831 9.031 4.695 3623706 >> 31.752 8.909 2.839 877631 >> 31.760 6.908 2.845 612579 >> 31.670 1.169 2.832 615590 >> 31.751 7.270 2.831 1141750 >> 58.295 9.031 4.130 1754612 >> 58.248 2.155 4.127 6105694 >> 58.243 2.467 4.127 2276898 >> 29.474 9.032 2.160 2874349 >> 29.437 4.123 2.156 2203715 >> 29.458 8.374 2.162 713157 >> 34.617 9.031 2.469 1556014 >> 34.669 4.126 2.471 1135091 >> 66.800 8.365 3.912 1399327 >> 66.783 1.102 3.913 3894029 >> 69.113 8.369 4.490 2195986 >> 69.154 3.909 4.489 757548 >> 69.103 1.102 4.492 5807456 >> 69.110 9.574 4.491 1984673 >> 21.748 2.447 1.099 623189 >> 21.741 2.994 1.100 781242 >> 21.755 8.667 1.102 575843 >> 21.755 8.365 1.098 622634 >> 21.747 3.908 1.101 2886104 >> 21.723 4.487 1.099 1630866 >> 21.763 9.577 1.099 913956 >> 62.083 9.571 3.881 502862 >> 61.973 2.626 3.885 809840 >> 62.031 2.893 3.883 1291093 >> 30.319 9.572 2.632 898363 >> 30.321 9.574 2.897 698423 >> 30.256 3.879 2.619 406400 >> 30.372 3.875 2.897 785318 >> 30.344 2.630 2.896 6536707 >> 30.328 2.888 2.630 5905932 >> 30.387 1.159 2.625 759962 >> 30.392 1.157 2.897 1242308 >> 30.560 1.456 2.629 562526 >> 30.315 1.467 2.898 784671 >> 30.272 0.956 2.897 620896 >> 52.594 7.719 3.828 5126176 >> 52.579 1.376 3.828 5801296 >> 52.574 6.912 3.826 2439526 >> 16.088 7.718 1.375 2270920 >> 16.096 3.824 1.376 7070424 >> 16.081 6.911 1.376 765070 >> 54.504 6.910 4.460 995780 >> 54.456 0.959 4.459 1392087 >> 54.520 1.168 4.459 3895927 >> 37.910 2.635 1.176 391981 >> 37.838 2.857 1.176 1083828 >> 37.899 6.909 1.176 862215 >> 37.918 4.452 1.176 543722 >> 37.851 1.474 1.177 1574596 >> 37.856 7.272 1.178 941619 >> 28.804 0.967 1.477 2097685 >> 28.833 1.146 1.482 3144813 >> 28.802 2.815 1.488 2980932 >> 28.831 7.269 1.482 874107 >> 41.878 0.948 2.813 2058754 >> 41.846 1.087 2.813 1536409 >> 41.859 1.478 2.813 5314578 >> 41.872 7.273 2.815 587389 >> 24.541 1.476 0.969 1554395 >> 24.661 1.466 1.079 1571633 >> 24.439 2.829 0.967 902138 >> 24.542 2.824 1.076 1006469 >> 24.599 7.265 0.936 687828 >> 53.017 1.177 5.604 736356 >> 52.993 2.461 5.603 3192489 >> 53.005 9.201 5.604 5636906 >> 44.203 5.601 2.404 1179207 >> 44.191 5.599 2.482 1092808 >> 44.182 9.205 2.394 652915 >> 44.215 9.203 2.485 596865 >> 56.729 3.176 4.891 1180829 >> 56.817 7.068 4.896 534571 >> 56.763 9.070 4.894 2815110 >> 56.829 0.803 4.890 1116483 >> 42.970 1.215 2.451 1344855 >> 42.966 9.201 2.448 1016729 >> 42.978 2.450 3.175 7433238 >> 42.982 3.175 2.449 7076475 >> 42.972 7.056 2.451 2394980 >> 43.175 7.096 3.156 2512971 >> 42.978 7.061 3.177 2567916 >> 43.009 9.076 2.446 705675 >> 42.934 9.072 3.179 776462 >> 43.019 0.521 2.453 375680 >> 42.989 0.394 2.451 1066937 >> 42.906 0.392 3.174 684480 >> 42.966 0.823 2.448 1250423 >> 42.982 0.825 3.173 1540740 >> 64.174 9.071 3.929 2723165 >> 64.171 8.184 3.922 1010196 >> 64.149 0.823 3.922 769541 >> 53.267 1.492 5.190 1047697 >> 53.147 0.534 5.190 2952280 >> 53.095 8.766 5.190 785416 >> 53.181 1.329 5.190 1951191 >> 44.826 8.184 1.310 716733 >> 44.825 8.182 1.501 1023310 >> 44.819 0.450 1.319 1893249 >> 44.798 0.444 1.504 2470139 >> 44.808 0.512 1.319 1667540 >> 44.874 6.944 1.320 512739 >> 44.854 6.944 1.501 512696 >> 25.743 6.949 0.439 595184 >> 25.848 1.317 0.439 4404440 >> 23.909 9.078 0.538 430006 >> 23.830 1.228 0.538 4271274 >> 23.825 9.235 0.539 870673 >> 23.799 5.193 0.538 1084788 >> 23.828 4.346 0.537 1239605 >> 23.737 8.764 0.537 603553 >> 23.779 1.337 0.539 7190959 >> 31.966 0.538 1.943 1726654 >> 31.875 0.780 1.819 1488154 >> 34.101 8.561 2.236 596358 >> 34.162 0.527 2.105 1190590 >> 34.049 0.541 2.239 1268913 >> 34.176 0.785 2.236 783167 >> 50.933 8.580 3.988 849946 >> 50.904 0.947 3.990 5206988 >> 50.922 8.735 3.989 4757317 >> 50.915 -0.603 3.987 1685551 >> 50.839 5.168 3.989 740087 >> 50.863 6.947 3.990 771908 >> 20.469 8.562 0.955 4367908 >> 20.414 3.988 0.949 4688521 >> 20.409 8.735 0.950 1231138 >> 20.418 0.507 0.952 5451878 >> 20.412 1.459 0.950 2127293 >> 20.451 6.914 0.958 3342209 >> 20.415 -0.603 0.950 6198285 >> 20.481 0.240 0.953 1492611 >> 20.425 7.211 0.950 1715452 >> 52.780 8.739 4.555 710328 >> 52.730 1.618 4.556 1665740 >> 52.772 8.257 4.554 3173000 >> 52.771 0.803 4.554 2170918 >> 52.831 0.524 4.556 3945762 >> 44.313 8.736 0.813 637939 >> 44.263 8.741 1.648 986403 >> 44.266 1.649 0.812 8407429 >> 44.276 0.528 1.648 1406917 >> 44.270 1.464 0.810 1848604 >> 44.285 8.253 0.810 760781 >> 44.284 8.252 1.652 452044 >> 44.256 4.039 0.811 1065759 >> 44.326 4.035 1.654 555169 >> 44.372 2.054 0.791 456359 >> 44.165 2.378 0.813 460895 >> 44.265 2.348 1.650 798606 >> 44.266 2.547 0.811 618977 >> 44.228 2.546 1.648 1043002 >> 44.263 0.804 1.650 9033268 >> 25.810 1.648 0.703 3018182 >> 25.789 2.053 0.705 1391819 >> 21.509 1.942 0.525 1429103 >> 21.500 2.111 0.522 2194869 >> 21.518 2.246 0.521 1534122 >> 21.471 4.567 0.526 1805270 >> 21.467 1.442 0.525 5232580 >> 21.400 1.634 0.527 1432934 >> 56.825 2.509 4.304 2899318 >> 33.891 0.809 2.297 942770 >> 33.892 1.186 2.295 562967 >> 33.877 8.253 2.300 916063 >> 63.845 1.889 4.276 5421602 >> 63.845 1.889 4.276 5421602 >> 63.794 2.326 4.284 5217432 >> 63.794 2.326 4.284 5217432 >> 31.701 4.282 2.328 1342290 >> 51.252 3.366 4.376 3628064 >> 51.278 4.359 3.370 2243662 >> 51.383 0.575 3.377 703060 >> 51.328 0.580 4.377 935756 >> 51.307 0.737 3.369 1590998 >> 51.320 0.735 4.377 1174902 >> 51.278 2.787 3.363 1349980 >> 51.328 2.793 4.372 675472 >> 51.235 1.790 3.369 1822436 >> 51.262 1.812 4.379 1715283 >> 26.739 4.301 1.743 530301 >> 26.580 2.325 1.743 1511729 >> 26.550 2.325 1.803 1267648 >> 26.644 3.359 1.745 817228 >> 26.682 3.366 1.811 681362 >> 56.283 8.983 4.600 1206232 >> 56.327 1.151 4.600 1880082 >> 56.325 1.724 4.600 3233167 >> 56.401 7.852 4.599 610438 >> 40.193 8.979 1.150 1928660 >> 40.226 8.980 1.725 1341282 >> 40.188 1.152 1.725 9920694 >> 40.188 1.723 1.151 8426170 >> 40.202 7.847 1.151 1046443 >> 40.227 7.850 1.728 771350 >> 58.363 2.975 5.002 2891686 >> 58.344 3.319 5.002 3365695 >> 58.341 7.857 5.001 1698470 >> 32.297 7.838 2.976 522575 >> 32.255 7.838 3.324 599780 >> 32.303 2.979 3.322 5247192 >> 32.312 3.318 2.983 4982656 >> 32.273 2.435 3.323 824449 >> 58.053 0.799 4.047 1994536 >> 58.048 1.639 4.048 970774 >> 58.083 7.884 4.047 5373151 >> 58.062 1.491 4.047 2017091 >> 58.051 2.026 4.047 4319706 >> 58.182 3.066 4.049 811439 >> 58.093 7.731 4.044 1140782 >> 58.179 3.231 4.041 540777 >> 27.484 1.472 2.029 4267396 >> 27.239 4.042 2.024 1361579 >> 27.291 3.070 2.027 1099029 >> 42.857 1.468 3.076 4353007 >> 42.839 2.021 3.077 2547128 >> 27.727 0.825 1.544 1297462 >> 27.792 7.882 1.433 531581 >> 27.793 7.883 1.514 468486 >> 27.772 4.044 1.432 726617 >> 27.746 4.040 1.515 882113 >> 27.625 2.021 1.432 4866084 >> 27.633 2.021 1.515 4549550 >> 27.784 3.069 1.430 2266912 >> 27.849 3.072 1.513 2071100 >> 28.215 7.723 2.133 2040359 >> 27.988 0.521 2.152 994386 >> 34.071 7.722 2.435 3203736 >> 63.660 1.927 4.580 1314841 >> 63.690 2.278 4.581 2748660 >> 63.653 1.772 4.579 925470 >> 63.693 8.171 4.582 4244107 >> 63.691 0.523 4.581 4882012 >> 32.023 0.522 2.280 1027847 >> 50.868 2.424 3.645 676970 >> 50.804 2.428 3.840 545306 >> 50.776 1.932 3.648 1363072 >> 50.801 1.925 3.847 920385 >> 50.796 3.642 3.845 8277478 >> 50.793 3.844 3.646 6706628 >> 50.788 1.777 3.642 1811399 >> 50.791 1.775 3.844 1876647 >> 50.815 0.525 3.641 482132 >> 50.756 0.523 3.846 782144 >> 50.790 2.144 3.645 4560578 >> 50.784 2.146 3.845 3457380 >> 27.938 3.643 1.775 1078878 >> 27.934 3.843 1.774 1229394 >> 27.826 0.523 1.774 1364541 >> 28.004 3.639 2.152 2733186 >> 27.967 3.844 2.153 1531504 >> 54.167 0.807 4.460 4034498 >> 54.171 1.473 4.460 3254962 >> 54.120 9.244 4.459 4899300 >> 43.231 8.169 1.468 1109750 >> 43.196 9.243 1.462 1127724 >> 43.186 6.908 1.459 748435 >> 43.084 0.953 1.464 1505488 >> 42.985 0.533 1.467 4136488 >> 28.011 0.945 0.504 3996305 >> 27.970 4.341 0.505 594340 >> 27.968 8.185 0.503 769752 >> 28.015 0.802 0.503 6023040 >> 27.943 1.564 0.502 4441656 >> 27.992 1.475 0.503 4846638 >> 28.044 2.907 0.502 1524009 >> 28.033 6.907 0.502 1339951 >> 28.005 1.193 0.505 620750 >> 28.034 1.806 0.503 1365702 >> 28.038 -0.602 0.503 4472504 >> 28.042 0.240 0.503 4696394 >> 28.028 2.716 0.503 2728972 >> 24.963 8.236 0.810 654451 >> 24.978 4.359 0.804 989221 >> 24.973 4.436 0.805 994300 >> 24.899 0.500 0.808 7091818 >> 24.988 9.238 0.807 1874107 >> 25.003 1.816 0.806 1558818 >> 27.683 0.500 1.590 3546177 >> 55.291 9.245 4.485 1197060 >> 55.303 2.127 4.488 2434618 >> 55.373 2.316 4.484 2669314 >> 55.258 2.457 4.485 1822064 >> 55.493 8.598 4.476 7390320 >> 29.558 9.244 2.338 1647938 >> 29.773 4.489 2.128 432438 >> 29.769 4.488 2.327 434946 >> 29.667 8.599 2.327 357882 >> 33.858 9.244 2.267 646902 >> 33.830 0.577 2.465 721558 >> 62.198 8.602 4.265 1240944 >> 62.182 1.947 4.262 1085731 >> 62.133 0.666 4.263 4073800 >> 62.125 0.984 4.262 4097660 >> 62.143 8.945 4.262 7003906 >> 62.151 6.909 4.264 670103 >> 32.031 8.598 1.952 3078507 >> 32.054 0.980 1.949 5601986 >> 32.048 0.671 1.951 6184036 >> 21.417 8.608 0.667 1234580 >> 21.418 4.262 0.668 2285189 >> 21.421 1.951 0.669 6792414 >> 21.416 8.945 0.668 2141789 >> 21.423 1.329 0.672 1133762 >> 21.420 2.871 0.669 1065548 >> 21.458 6.907 0.667 622038 >> 21.405 6.729 0.669 1091977 >> 20.781 8.595 0.981 4169282 >> 20.846 4.260 0.986 2728210 >> 20.837 1.950 0.986 7243810 >> 20.837 8.948 0.985 927562 >> 20.789 6.907 0.982 3908935 >> 20.800 6.728 0.983 3920253 >> 53.479 8.946 4.511 1135236 >> 53.409 1.276 4.512 3846193 >> 53.401 1.470 4.514 1718276 >> 53.398 0.580 4.513 5234706 >> 53.436 8.514 4.511 6474882 >> 42.839 8.941 1.269 693340 >> 42.876 8.947 1.469 1344103 >> 42.823 0.561 1.262 2282208 >> 25.331 1.469 0.543 2050796 >> 25.414 2.405 0.541 765884 >> 25.330 2.607 0.542 1555165 >> 25.380 2.923 0.548 719330 >> 25.324 6.921 0.541 700743 >> 23.284 2.291 0.590 1280278 >> 23.263 8.945 0.589 566913 >> 23.317 4.510 0.590 994197 >> 23.305 1.305 0.588 5674586 >> 23.269 8.515 0.588 705001 >> 33.503 8.520 1.656 1249437 >> 33.517 8.518 1.754 1411041 >> 33.363 8.216 1.658 531636 >> 41.871 0.686 2.872 1813710 >> 41.891 1.615 2.871 4663266 >> 41.880 1.291 2.870 2453658 >> 52.089 8.216 4.535 1723333 >> 51.885 1.290 4.534 7829132 >> 51.895 9.200 4.534 5922238 >> 20.721 8.216 1.289 3033607 >> 20.734 4.532 1.290 2155061 >> 20.723 9.198 1.289 2506407 >> 20.802 7.817 1.292 610511 >> 59.745 9.200 4.082 5908244 >> 59.663 2.890 4.082 1826000 >> 59.716 3.071 4.080 3457062 >> 59.713 8.618 4.081 3077482 >> 25.807 9.200 2.892 714102 >> 25.825 9.201 3.070 690978 >> 25.797 4.077 2.891 1449498 >> 25.782 4.080 3.072 2733878 >> 25.785 2.890 3.070 29378128 >> 25.785 3.066 2.890 27964788 >> 25.766 8.616 2.891 645129 >> 25.752 8.622 3.070 757783 >> 45.535 8.618 3.667 4873186 >> 45.545 8.618 4.076 3142562 >> 45.520 3.667 4.076 22029166 >> 45.516 4.075 3.668 20613188 >> 45.484 7.812 3.667 825502 >> 45.558 7.814 4.078 795172 >> 51.048 7.812 4.622 1851763 >> 51.004 1.378 4.621 8357785 >> 51.029 8.101 4.621 6634300 >> 21.250 7.814 1.376 4451722 >> 21.229 4.615 1.376 1521798 >> 21.243 8.102 1.377 3720288 >> 61.462 8.100 4.564 1184158 >> 61.455 1.787 4.560 1787937 >> 61.443 0.547 4.561 2998706 >> 61.429 0.722 4.561 2961902 >> 61.445 8.635 4.562 6557760 >> 33.845 8.105 1.789 2238588 >> 33.831 0.549 1.788 4180800 >> 33.820 0.721 1.788 4166950 >> 33.850 8.634 1.790 600029 >> 21.239 8.106 0.547 771770 >> 21.203 1.786 0.549 6616663 >> 21.174 8.635 0.551 2153887 >> 21.192 6.725 0.551 1123440 >> 20.835 1.269 0.733 985572 >> 20.848 8.103 0.732 2424155 >> 20.864 1.786 0.732 5540345 >> 20.847 8.638 0.732 1003783 >> 52.088 0.934 5.027 726802 >> 52.167 0.542 5.029 775544 >> 52.126 8.636 5.025 1135187 >> 52.067 2.412 5.025 2018382 >> 52.066 2.547 5.026 3031200 >> 52.085 8.946 5.024 4461220 >> 52.076 6.908 5.018 996964 >> 44.017 0.931 2.409 1529900 >> 44.066 0.934 2.551 1880423 >> 44.023 1.252 2.402 914351 >> 43.790 1.285 2.549 752119 >> 44.031 1.473 2.407 1712687 >> 44.045 1.469 2.547 1073060 >> 44.022 0.541 2.405 903290 >> 44.011 8.638 2.405 1067131 >> 44.043 8.638 2.545 868234 >> 44.020 8.941 2.402 1071537 >> 44.020 8.943 2.550 1355888 >> 57.282 0.531 5.143 823957 >> 57.294 2.917 5.144 1397564 >> 57.416 6.910 5.150 2033347 >> 57.278 9.248 5.144 4956901 >> 57.283 8.944 5.146 1404332 >> 41.307 0.942 2.719 380140 >> 41.264 0.501 2.713 2141021 >> 41.402 0.501 2.915 1310028 >> 41.224 0.806 2.720 1558796 >> 41.223 1.488 2.715 1095342 >> 41.424 1.462 2.917 496311 >> 41.333 8.945 2.917 890572 >> 41.294 6.906 2.915 1726492 >> 41.238 6.923 2.714 2964269 >> 56.370 0.929 5.046 1034176 >> 56.426 0.560 5.040 551516 >> 56.442 2.622 5.043 1875924 >> 56.392 2.928 5.045 1181882 >> 56.427 6.921 5.045 1419557 >> 56.426 9.170 5.044 3709706 >> 44.248 0.929 2.613 1180915 >> 44.359 0.931 2.932 394490 >> 44.303 0.546 2.622 1827202 >> 44.274 0.548 2.931 1302502 >> 44.350 9.244 2.624 1410264 >> 44.334 9.246 2.930 1766195 >> 44.325 6.920 2.620 1896237 >> 44.313 6.925 2.929 1815462 >> 57.922 2.718 4.693 1832960 >> 29.646 0.803 2.723 1669581 >> 29.640 9.167 2.750 1179226 >> 29.765 7.381 2.759 354398 >> 29.621 0.582 2.725 698791 >> 56.828 7.258 4.306 2308820 >> 56.877 9.249 4.306 1458495 >> 56.820 9.097 4.305 958606 >> 28.875 4.306 2.321 976778 >> 29.149 4.306 2.088 1366214 >> 34.180 6.906 2.505 1439059 >> 34.189 7.261 2.507 864083 >> 34.197 9.255 2.510 1576263 >> 34.214 4.307 2.511 1126022 >> 39.457 2.136 2.536 942084 >> 39.530 2.141 2.989 616426 >> 39.530 9.101 2.534 1976545 >> 39.546 9.101 2.991 1889731 >> 39.534 2.529 2.990 16422801 >> 39.537 2.989 2.532 16032117 >> 39.527 7.182 2.986 1094060 >> 39.235 7.157 2.546 1052067 >> 45.171 7.181 3.449 2852253 >> 45.169 7.181 4.007 2324297 >> 45.152 3.447 4.005 10275185 >> 45.159 4.002 3.449 8927117 >> 45.122 7.382 3.444 477327 >> 45.149 7.387 4.002 502785 >> 59.629 7.384 4.623 860827 >> 59.554 2.986 4.624 1289560 >> 59.606 3.367 4.625 2488486 >> 30.135 7.387 2.983 607195 >> 30.072 7.395 3.363 586184 >> 30.104 0.584 2.983 1039285 >> 30.108 0.583 3.370 1453552 >> 45.553 7.614 2.928 2334227 >> 45.557 7.616 3.697 2163028 >> 45.548 2.922 3.699 10340209 >> 45.539 3.696 2.925 8060450 >> 45.555 8.448 2.924 2267945 >> 45.550 8.447 3.698 4265818 >> 45.586 1.652 3.691 609119 >> 55.707 0.932 4.616 2413802 >> 55.721 8.751 4.616 4569971 >> 55.742 1.660 4.615 4053139 >> 42.235 8.446 1.657 4259276 >> 42.212 0.936 1.657 7151444 >> 42.255 8.748 1.659 747147 >> 42.305 0.570 1.661 474279 >> 24.794 8.450 0.941 736814 >> 24.655 8.750 0.931 1066380 >> 24.699 1.652 0.933 9884216 >> 56.973 8.750 4.213 848531 >> 56.996 0.584 4.214 4323641 >> 56.976 0.736 4.213 3807784 >> 57.000 8.486 4.214 7317466 >> 37.368 2.717 1.802 548121 >> 37.424 8.750 1.806 1782364 >> 37.396 0.560 1.807 1214009 >> 37.397 1.186 1.808 1989021 >> 37.408 0.743 1.806 3264755 >> 37.399 0.233 1.811 1227720 >> 9.334 2.743 0.588 1552570 >> 9.419 2.972 0.589 1403967 >> 9.438 8.484 0.589 783397 >> 9.402 8.749 0.589 581529 >> 9.368 4.214 0.589 3175994 >> 9.358 1.184 0.590 3844647 >> 9.370 3.365 0.589 2308669 >> 9.373 1.819 0.589 6302901 >> 27.012 8.752 1.186 519017 >> 27.068 8.752 1.827 685911 >> 27.023 0.582 1.186 2651804 >> 27.005 0.583 1.829 2576402 >> 27.043 1.184 1.826 5442444 >> 27.000 0.767 1.182 2224934 >> 27.047 1.821 1.186 7187061 >> 18.034 3.363 0.736 1373972 >> 18.000 4.357 0.738 832629 >> 18.027 4.217 0.737 2627499 >> 18.038 1.187 0.736 1695123 >> 18.022 8.487 0.739 2251396 >> 18.032 1.649 0.741 3440325 >> 17.985 6.816 0.735 790914 >> 18.054 2.790 0.737 1772167 >> 18.036 -0.603 0.737 712300 >> 18.031 0.235 0.738 5595087 >> 18.035 1.814 0.737 6857164 >> 58.347 8.483 4.383 2221720 >> 58.300 3.786 4.383 2383497 >> 58.285 4.082 4.381 5197514 >> 58.300 9.036 4.381 8857225 >> 58.305 2.082 4.382 522724 >> 58.328 8.084 4.382 668886 >> 63.563 8.486 3.786 3194623 >> 63.519 8.487 4.082 2888783 >> 63.541 4.378 3.789 1169108 >> 63.497 4.382 4.083 2054105 >> 63.512 3.784 4.082 15866019 >> 63.512 4.080 3.787 13605572 >> 63.558 9.032 3.785 611074 >> 63.534 9.038 4.082 1303076 >> 63.446 8.079 3.792 711194 >> 63.572 8.082 4.081 789281 >> 63.464 7.988 3.789 573513 >> 63.489 1.612 3.786 1439622 >> 63.487 1.616 4.082 752862 >> 63.444 1.465 3.786 852267 >> 63.475 1.463 4.082 474759 >> 60.390 9.037 3.914 2348132 >> 60.387 2.085 3.911 4491328 >> 60.358 1.711 3.911 1825902 >> 60.426 6.843 3.914 820622 >> 60.364 1.350 3.908 856140 >> 60.399 0.231 3.912 4346646 >> 32.089 9.038 2.056 2493953 >> 32.109 9.037 2.111 2143028 >> 32.086 3.908 2.055 2146800 >> 32.092 3.909 2.112 2053504 >> 32.159 8.090 2.051 696090 >> 32.073 8.088 2.112 886072 >> 42.138 1.927 3.170 4069650 >> 42.129 1.709 3.172 2838800 >> 57.998 8.086 4.190 3396138 >> 57.954 1.833 4.190 7019678 >> 57.981 1.450 4.190 2205826 >> 57.972 7.965 4.186 899280 >> 32.379 8.086 1.843 3210335 >> 32.387 4.189 1.827 2097181 >> 29.165 8.081 1.696 447867 >> 41.927 1.835 2.993 859758 >> 41.886 1.695 2.991 5317188 >> 41.885 1.446 2.991 2775942 >> 55.900 7.969 4.279 1625736 >> 55.872 1.612 4.280 4241353 >> 55.942 1.891 4.281 4326738 >> 55.812 1.468 4.278 3834620 >> 55.833 6.810 4.277 730471 >> 32.093 0.728 1.633 1052072 >> 32.084 7.972 1.636 1257120 >> 32.149 7.970 1.874 783161 >> 32.141 4.278 1.639 582058 >> 43.313 1.603 3.149 4631700 >> 43.318 1.602 3.308 4075804 >> 43.298 1.875 3.148 1263066 >> 43.332 1.877 3.309 1173093 >> 43.296 1.485 3.144 2283582 >> 43.325 1.467 3.309 2904243 >> 28.757 7.967 1.460 497367 >> 28.702 4.278 1.460 757346 >> 28.755 1.883 1.462 1928259 >> 28.921 3.147 1.465 1643538 >> 28.694 3.310 1.460 1594472 >> 64.973 3.362 2.793 987139 >> 64.958 0.508 2.795 819029 >> 64.990 0.740 2.794 1744018 >> 64.992 6.812 2.795 1324183 >> 65.041 1.346 2.794 1409687 >> 64.955 -0.604 2.796 2723988 >> 64.978 0.234 2.793 2991440 >> 64.994 7.268 2.794 5516425 >> 32.120 6.810 1.349 3465086 >> 32.100 2.787 1.348 982504 >> 32.117 -0.602 1.349 4269838 >> 32.113 0.233 1.349 4603458 >> 32.142 6.943 1.348 581157 >> 32.100 7.227 1.349 1152268 >> 21.016 3.982 -0.604 1114826 >> 20.987 0.948 -0.604 4864860 >> 21.008 8.734 -0.604 846953 >> 21.005 0.502 -0.603 3784718 >> 20.969 6.841 -0.604 771084 >> 21.018 2.788 -0.604 2167250 >> 21.001 1.347 -0.604 4719446 >> 21.008 0.233 -0.604 6116634 >> 20.993 7.256 -0.604 2479018 >> 21.034 6.945 -0.603 1314205 >> 22.716 0.497 0.234 3722284 >> 22.684 1.802 0.235 1803423 >> 22.714 0.741 0.235 4348948 >> 22.709 3.908 0.235 3278989 >> 22.706 6.814 0.235 4552512 >> 22.700 2.785 0.236 3262810 >> 22.708 1.349 0.235 6175786 >> 22.706 -0.602 0.235 8507433 >> 22.718 7.255 0.237 844880 >> 22.600 6.918 0.233 2152955 >> 39.187 0.792 2.353 1011219 >> 39.162 0.793 2.550 1162287 >> 39.175 1.652 2.349 1540958 >> 39.165 1.650 2.551 1820468 >> 39.172 7.268 2.352 2101036 >> 39.204 7.264 2.548 1805393 >> 39.204 7.264 2.548 1805393 >> 39.199 2.354 2.548 17214856 >> 39.181 2.549 2.352 17722768 >> 39.156 7.145 2.347 711589 >> 57.945 3.990 5.170 2127600 >> 57.960 -0.605 5.170 557588 >> 57.968 8.183 5.173 682459 >> 57.957 8.668 5.170 6203014 >> 57.896 0.794 5.164 1337061 >> 41.158 1.344 2.721 806628 >> 41.272 0.228 2.708 549558 >> 41.119 8.186 2.734 977414 >> 59.194 2.063 4.531 3953820 >> 59.194 0.799 4.532 5935896 >> 59.239 8.479 4.531 6488027 >> 35.172 8.667 2.068 741124 >> 35.220 4.528 2.067 779916 >> 35.217 0.792 2.066 10086050 >> 35.210 8.479 2.064 2720941 >> 21.366 8.666 0.806 1063590 >> 21.378 2.063 0.806 7194406 >> 21.382 8.475 0.804 1147389 >> 19.500 1.849 0.777 854720 >> 19.448 0.549 0.779 4615499 >> 19.350 8.667 0.777 2792833 >> 19.351 2.062 0.777 6424995 >> 19.388 8.486 0.776 885421 >> 61.298 0.533 4.347 2661664 >> 61.329 8.474 4.344 1386677 >> 61.112 1.659 4.338 1426470 >> 61.297 0.389 4.348 1056832 >> 61.335 1.342 4.348 1259603 >> 61.319 8.765 4.348 5111262 >> 61.197 0.816 4.342 4105532 >> 38.177 0.525 1.681 432873 >> 38.153 8.479 1.680 3553862 >> 38.191 0.380 1.680 1873942 >> 38.181 1.348 1.678 2137232 >> 38.156 0.822 1.678 5201240 >> 12.990 3.543 0.378 728261 >> 12.994 3.181 0.378 2960979 >> 12.974 7.060 0.377 652489 >> 12.990 8.475 0.381 684854 >> 12.980 1.695 0.378 3308115 >> 12.989 1.346 0.379 3634234 >> 12.979 0.816 0.378 10390416 >> 27.929 8.478 0.843 1187246 >> 27.943 8.476 1.352 1668732 >> 27.952 4.352 0.843 608818 >> 27.929 4.351 1.345 481683 >> 27.848 0.391 1.346 3845106 >> 27.939 0.837 1.349 14536072 >> 17.720 3.177 0.824 2124060 >> 17.724 7.058 0.823 1737374 >> 17.735 8.473 0.825 2126500 >> 17.744 4.345 0.824 1479329 >> 17.725 1.683 0.824 6395708 >> 17.727 0.383 0.823 6433914 >> 17.710 1.348 0.822 1274796 >> 17.698 8.767 0.824 2026180 >> 57.751 8.762 4.545 1540716 >> 57.690 3.733 4.544 4309220 >> 57.705 8.465 4.544 4545888 >> 64.187 1.824 3.709 879158 >> 64.143 0.810 3.710 654725 >> 64.167 8.764 3.707 1570666 >> 64.168 8.468 3.709 1245618 >> 41.240 8.475 2.721 4272308 >> 56.091 8.486 4.313 2426224 >> 56.115 2.078 4.312 2906516 >> 56.237 2.294 4.312 2946768 >> 56.113 8.253 4.312 6219191 >> 29.252 8.485 1.938 1875442 >> 29.229 8.487 2.081 1494866 >> 29.263 4.308 1.945 962261 >> 29.360 8.259 1.930 487842 >> 29.246 8.258 2.081 577063 >> 33.870 8.488 2.298 1693108 >> 33.845 4.308 2.296 1268032 >> 55.411 1.475 4.263 3909339 >> 55.181 0.809 4.254 4630980 >> 55.166 8.258 4.254 7625243 >> 42.135 0.839 1.450 2939436 >> 42.129 0.842 1.545 3655349 >> 42.129 8.256 1.450 2271507 >> 42.149 8.258 1.545 2587832 >> 25.018 8.248 0.848 628917 >> 23.344 4.254 0.805 3469734 >> 23.390 8.259 0.806 938390 >> 23.340 1.510 0.806 3037804 >> 27.008 8.253 1.530 1742071 >> 56.273 8.258 4.167 2201287 >> 56.297 2.174 4.169 1486570 >> 56.324 1.872 4.166 4519851 >> 56.402 8.485 4.171 3745723 >> 29.862 8.258 1.869 3309108 >> 29.828 4.163 1.869 2347355 >> 35.384 8.256 2.197 702307 >> 35.383 4.166 2.194 522058 >> 55.191 8.500 4.611 2293454 >> 28.857 8.528 3.079 695762 >> 55.240 3.182 4.634 8841278 >> 29.148 8.572 3.197 431246 >> 29.497 8.409 3.212 388005 >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 1H 1 H . 6898.236 . . . 15338 2 >> 2 13C 13 C . 12066.365 . . . 15338 2 >> 3 1H 1 'Aliphatic H' . 11001.100 . . . 15338 2 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_3 _Saveframe_category spectral_peak_list _Details . _Experiment_label '3D 1H-13C NOESY' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 1H H 2 13C C 3 1H 'Aliphatic H' stop_ _Sample_label $sample_2 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_3 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_3 >> _Spectral_peak_list.Entry_ID 15338 >> _Spectral_peak_list.ID 3 >> _Spectral_peak_list.Sample_ID 2 >> _Spectral_peak_list.Sample_label $sample_2 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 13 >> _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY' >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >> w1 w2 w3 Data Height >> >> 64.048 3.720 4.543 487617 >> 41.237 0.252 2.897 453044 >> 41.356 1.801 2.899 475273 >> 41.296 1.834 2.717 525004 >> 44.289 2.129 2.921 537077 >> 44.267 2.135 2.628 331882 >> 44.305 2.333 2.925 703712 >> 44.300 2.342 2.629 998174 >> 56.258 5.242 4.440 1132701 >> 32.251 6.971 1.351 298240 >> 32.272 7.663 3.313 1113993 >> 32.284 7.662 2.975 1391129 >> 72.218 0.857 4.138 256725 >> 54.887 2.609 4.170 693892 >> 29.946 1.412 1.901 750119 >> 14.394 2.712 0.633 430554 >> 32.081 1.360 2.792 471897 >> 63.696 0.806 4.271 255646 >> 56.240 1.255 4.438 2057578 >> 42.923 0.439 2.554 745983 >> 43.000 0.452 2.524 648935 >> 25.776 2.555 0.435 786994 >> 24.865 3.208 0.806 663131 >> 24.768 2.397 0.926 423298 >> 24.761 2.556 0.929 1342386 >> 24.685 6.931 0.920 1121511 >> 22.834 6.736 0.239 291898 >> 19.500 1.876 0.775 605599 >> 20.628 7.259 1.289 629547 >> 56.643 4.314 4.889 411342 >> 56.701 1.523 4.890 221452 >> 58.301 7.667 4.997 685982 >> 63.697 0.711 4.585 337287 >> 54.235 2.801 4.461 323218 >> 45.411 1.295 3.681 333490 >> 45.407 7.262 2.920 590138 >> 45.458 7.261 3.688 534306 >> 45.570 6.930 3.696 169968 >> 45.250 1.289 2.922 377046 >> 51.000 1.196 4.606 255872 >> 61.261 1.282 4.560 528240 >> 56.264 1.655 5.038 439211 >> 56.312 1.814 5.043 292936 >> 55.566 6.932 4.616 759111 >> 55.188 7.232 4.612 555855 >> 58.026 1.671 4.374 351229 >> 58.440 2.828 4.383 254841 >> 60.205 6.734 3.914 236593 >> 64.814 1.702 2.792 267698 >> 64.868 1.851 2.790 362440 >> 64.663 4.343 2.787 167211 >> 58.200 4.464 4.677 180518 >> 54.029 4.688 4.458 175880 >> 53.212 4.536 4.305 380443 >> 50.739 2.144 3.639 1669668 >> 50.753 2.143 3.841 1259368 >> 50.625 2.433 3.634 353570 >> 50.810 2.434 3.845 204655 >> 50.684 1.780 3.838 753252 >> 50.810 1.780 3.631 718307 >> 50.661 0.526 3.838 357932 >> 50.879 0.527 3.646 228249 >> 51.276 1.821 4.382 798225 >> 51.277 0.748 4.378 682437 >> 51.224 0.590 4.385 431210 >> 51.318 0.594 3.364 348667 >> 51.210 0.747 3.366 908300 >> 51.220 1.813 3.367 866548 >> 51.235 2.341 3.365 245663 >> 51.165 2.328 4.377 138067 >> 50.907 7.194 4.006 186376 >> 54.907 2.220 4.170 3070677 >> 32.877 4.172 2.210 1269937 >> 55.834 1.912 4.445 1531668 >> 55.792 2.038 4.447 1888986 >> 55.981 0.629 4.441 264079 >> 30.480 4.461 1.905 290332 >> 30.363 4.453 2.034 272998 >> 30.033 0.916 1.887 364126 >> 30.338 0.944 2.024 260588 >> 30.300 1.411 1.904 613789 >> 30.304 1.410 2.023 506367 >> 35.512 0.928 2.220 292858 >> 35.550 0.921 2.294 306083 >> 35.483 1.409 2.222 587455 >> 35.489 1.400 2.300 443518 >> 60.573 1.602 4.305 1917451 >> 60.580 1.042 4.305 1168038 >> 60.775 0.793 4.309 2666336 >> 39.479 4.307 1.610 519071 >> 39.501 0.636 1.609 1491607 >> 39.541 1.047 1.609 730054 >> 39.650 1.184 1.613 549991 >> 39.443 0.401 1.610 904971 >> 39.474 0.787 1.610 1770218 >> 14.486 1.040 0.631 2027781 >> 14.482 1.557 0.630 3112516 >> 14.490 2.559 0.628 526024 >> 14.523 1.223 0.630 743891 >> 26.757 4.311 1.038 312318 >> 26.790 4.294 1.528 432592 >> 26.703 0.640 1.037 2211972 >> 26.716 0.642 1.533 2542740 >> 26.705 1.044 1.533 6979808 >> 26.681 1.542 1.038 7072749 >> 26.716 0.786 1.037 1608927 >> 26.768 0.417 1.037 386516 >> 26.854 0.792 1.523 3195575 >> 18.205 4.317 0.785 776694 >> 18.270 1.614 0.771 2242206 >> 18.374 0.400 0.779 4322119 >> 59.461 3.614 4.544 1557657 >> 59.446 0.919 4.544 2556222 >> 59.458 4.307 4.544 1216503 >> 59.406 0.406 4.536 388562 >> 59.443 1.509 4.542 985284 >> 71.303 0.923 3.607 3849174 >> 71.216 4.494 3.603 353677 >> 21.627 3.614 0.918 3031344 >> 21.664 4.305 0.917 994277 >> 56.738 2.789 3.976 908289 >> 56.740 3.168 3.978 2039730 >> 56.716 3.542 3.979 1375612 >> 56.755 1.762 3.979 436350 >> 56.744 0.398 3.978 1356297 >> 56.755 0.813 3.978 1036210 >> 56.889 1.516 3.980 318006 >> 31.989 3.983 2.786 464521 >> 32.084 3.990 3.135 354593 >> 31.754 0.418 2.805 371634 >> 31.898 0.396 3.140 181900 >> 31.931 0.816 3.133 677225 >> 63.859 2.195 4.258 3013982 >> 63.813 3.172 4.258 278341 >> 63.696 0.806 4.271 255646 >> 63.900 0.900 4.260 191158 >> 63.807 1.901 4.264 2774683 >> 63.900 1.778 4.260 1376680 >> 32.126 4.250 2.189 942040 >> 32.326 0.925 2.202 340714 >> 32.100 4.258 1.925 1067208 >> 50.464 3.981 3.178 1020192 >> 50.498 3.983 3.539 943116 >> 50.459 1.916 3.173 385045 >> 50.473 1.911 3.547 274991 >> 50.473 2.196 3.174 263010 >> 50.500 2.199 3.544 308255 >> 50.489 3.181 3.541 2511859 >> 50.497 3.544 3.179 2302866 >> 50.528 1.749 3.179 1234710 >> 50.500 1.756 3.542 1174225 >> 50.522 0.820 3.177 398418 >> 50.478 0.821 3.537 340624 >> 50.583 7.289 3.182 198922 >> 50.462 7.266 3.539 354870 >> 50.505 0.384 3.179 1043249 >> 50.462 0.389 3.542 731892 >> 27.087 3.182 1.750 905164 >> 27.175 3.548 1.749 776313 >> 27.005 0.800 1.748 939631 >> 27.170 0.922 1.740 1100593 >> 27.171 7.275 1.746 387156 >> 27.188 0.387 1.753 713094 >> 64.896 2.420 3.812 1066240 >> 64.897 0.786 3.812 3653566 >> 64.888 0.929 3.812 3309583 >> 32.288 3.815 2.417 616800 >> 32.329 0.930 2.415 2954386 >> 32.306 0.786 2.415 3808518 >> 21.164 3.814 0.778 2085470 >> 21.176 2.418 0.778 4129571 >> 21.221 1.767 0.931 913015 >> 21.252 3.818 0.929 2084531 >> 21.261 2.417 0.929 3517405 >> 20.961 7.256 0.932 1015377 >> 58.747 2.436 4.550 1852109 >> 58.763 2.986 4.549 2009370 >> 31.953 2.989 2.431 3662279 >> 31.984 1.093 2.428 450954 >> 31.988 1.101 2.984 531067 >> 31.970 2.437 2.982 3653842 >> 56.781 3.613 4.470 1432744 >> 56.743 0.921 4.469 1311674 >> 56.754 3.373 4.469 1291586 >> 56.781 3.478 4.470 1059186 >> 26.018 0.922 3.358 203433 >> 26.050 0.930 3.480 157851 >> 25.918 4.478 3.362 174904 >> 25.922 4.473 3.453 205396 >> 25.941 7.060 3.365 167656 >> 25.828 7.072 3.442 152311 >> 55.521 0.925 4.777 321207 >> 55.464 3.321 4.771 1337333 >> 55.492 3.547 4.771 930139 >> 55.547 7.451 4.774 422661 >> 55.700 1.393 4.770 269645 >> 29.780 3.320 3.541 3986720 >> 29.788 3.544 3.316 4096628 >> 29.918 7.441 3.323 216293 >> 53.240 0.922 4.304 1856238 >> 53.230 1.404 4.303 4361327 >> 18.625 0.925 1.398 1554960 >> 18.639 4.306 1.397 1996274 >> 53.429 1.184 4.619 1947538 >> 53.378 0.815 4.620 2767959 >> 53.451 1.485 4.616 1976091 >> 44.165 1.465 1.172 3695262 >> 44.165 0.417 1.178 1000868 >> 44.353 0.424 1.464 1343798 >> 44.179 0.809 1.170 1058650 >> 44.100 0.793 1.458 1161839 >> 44.087 1.187 1.451 3860082 >> 26.341 3.983 0.400 438272 >> 26.288 2.805 0.400 314374 >> 26.355 1.505 0.407 4122486 >> 26.220 1.210 0.410 3686518 >> 26.309 3.171 0.401 348685 >> 26.344 7.298 0.398 155023 >> 26.294 0.806 0.404 3985198 >> 26.242 7.062 0.402 428256 >> 24.273 3.979 0.810 528727 >> 24.606 2.798 0.807 3543480 >> 24.409 3.142 0.811 663220 >> 24.471 1.509 0.810 3363552 >> 24.292 7.277 0.809 638258 >> 24.541 1.192 0.809 2266462 >> 24.332 7.064 0.809 426875 >> 26.716 0.410 1.520 3507002 >> 54.573 2.365 4.579 1055741 >> 54.700 2.476 4.580 328047 >> 54.577 2.102 4.582 3399369 >> 30.309 1.166 2.093 282020 >> 30.403 3.153 2.100 617487 >> 56.286 0.432 4.438 398343 >> 56.201 1.418 4.440 1775790 >> 56.231 1.782 4.439 1270026 >> 56.258 5.242 4.440 1132701 >> 56.239 2.538 4.441 430886 >> 31.697 4.437 1.426 136854 >> 31.758 4.441 1.775 220103 >> 31.810 1.440 1.778 5949500 >> 31.791 1.783 1.438 4951746 >> 31.704 2.519 1.433 637658 >> 31.717 2.528 1.774 633917 >> 43.000 0.614 2.515 232508 >> 42.978 0.626 2.552 346854 >> 42.922 1.777 2.542 477018 >> 43.000 1.778 2.520 443983 >> 42.891 1.302 2.544 1598482 >> 43.000 1.303 2.507 1540473 >> 27.600 2.548 1.293 1207150 >> 27.600 2.548 1.335 962424 >> 51.800 1.320 4.841 351159 >> 51.911 2.669 4.843 1971126 >> 51.802 2.544 4.845 4839916 >> 39.214 1.195 2.540 218337 >> 39.131 1.191 2.662 165986 >> 47.176 3.565 3.997 5432668 >> 47.162 4.003 3.559 3958185 >> 53.699 2.920 4.603 2531739 >> 53.622 0.436 4.605 1316457 >> 60.329 4.145 5.124 1725639 >> 60.316 1.181 5.125 2318306 >> 60.321 0.437 5.125 482146 >> 60.327 1.363 5.125 1148680 >> 72.258 5.134 4.137 627457 >> 72.254 1.177 4.137 4331405 >> 72.375 2.470 4.135 349349 >> 21.348 5.138 1.171 380024 >> 21.441 4.147 1.169 2476646 >> 21.422 2.468 1.170 406205 >> 50.344 4.443 5.233 690086 >> 50.234 1.217 5.238 3000071 >> 50.324 0.439 5.236 389654 >> 24.026 1.447 1.214 1583830 >> 23.922 0.423 1.213 4592269 >> 23.987 0.802 1.214 1704695 >> 23.921 5.242 1.214 1164806 >> 23.886 2.461 1.210 665529 >> 23.947 3.173 1.213 301167 >> 23.865 7.068 1.215 437275 >> 54.557 1.193 5.555 282963 >> 54.509 3.154 5.552 1700124 >> 54.531 7.078 5.555 312564 >> 31.815 2.105 3.143 938442 >> 31.834 5.560 3.144 999568 >> 31.796 7.083 3.143 739552 >> 57.900 1.178 4.686 405905 >> 57.953 0.812 4.685 4194286 >> 57.953 1.499 4.689 304302 >> 57.892 2.861 4.683 1766952 >> 31.758 7.290 2.836 517963 >> 58.071 7.081 4.124 958622 >> 58.093 2.154 4.123 3460164 >> 58.098 2.454 4.125 1559281 >> 34.743 7.077 2.450 530873 >> 34.807 4.126 2.450 613494 >> 66.709 4.478 3.907 225830 >> 66.686 1.100 3.904 2693191 >> 69.029 3.909 4.486 465978 >> 68.976 1.098 4.484 4220598 >> 21.696 2.436 1.091 415509 >> 21.674 2.986 1.091 398743 >> 21.680 8.677 1.091 412702 >> 21.681 3.908 1.093 1571988 >> 21.682 4.487 1.093 902683 >> 61.996 1.104 3.889 170431 >> 61.908 2.634 3.873 405131 >> 61.986 2.891 3.876 660372 >> 30.326 3.885 2.619 175518 >> 30.373 3.868 2.887 324751 >> 30.392 2.633 2.887 2902158 >> 30.350 2.891 2.629 2494316 >> 30.402 0.977 2.887 330997 >> 30.396 1.163 2.623 483031 >> 30.401 1.148 2.886 571135 >> 30.397 1.471 2.888 353611 >> 52.432 8.463 3.819 674052 >> 52.434 1.373 3.821 4194798 >> 16.054 8.460 1.369 288869 >> 16.066 3.829 1.369 3456279 >> 54.393 0.967 4.455 1407588 >> 54.302 1.175 4.454 2544640 >> 24.672 2.891 0.936 304223 >> 24.740 7.270 0.936 532438 >> 52.917 1.184 5.601 388946 >> 52.930 2.400 5.601 1497087 >> 52.930 2.475 5.601 1500270 >> 52.845 7.067 5.607 284715 >> 53.112 3.155 5.600 252549 >> 44.239 5.596 2.389 668987 >> 44.229 5.601 2.471 700329 >> 56.679 2.455 4.890 875958 >> 56.670 3.180 4.891 1180172 >> 56.677 7.067 4.892 914336 >> 56.730 0.832 4.898 367363 >> 42.923 1.213 3.170 386284 >> 42.965 2.455 3.177 3190016 >> 42.984 3.180 2.452 2961384 >> 42.957 7.063 2.452 1190326 >> 42.983 7.064 3.177 945084 >> 42.900 0.399 2.444 548396 >> 42.899 0.386 3.174 434965 >> 43.084 0.827 2.451 837023 >> 42.947 0.825 3.172 921044 >> 58.156 5.132 4.753 427984 >> 58.178 1.176 4.748 1051385 >> 58.192 3.925 4.748 2497824 >> 53.014 1.504 5.198 718502 >> 53.033 0.544 5.196 1930374 >> 53.095 4.353 5.197 394511 >> 53.063 0.829 5.199 334099 >> 53.064 1.333 5.195 1465226 >> 25.846 6.957 0.437 311466 >> 25.848 1.325 0.433 2599756 >> 23.771 5.199 0.539 697892 >> 23.645 6.948 0.559 284391 >> 23.781 4.347 0.539 629123 >> 23.799 1.342 0.546 4103688 >> 54.171 1.825 4.675 2351915 >> 54.140 1.952 4.676 1667794 >> 53.877 2.134 4.694 2360934 >> 31.860 0.789 1.817 1043932 >> 31.837 3.748 1.821 312489 >> 31.805 3.714 1.946 318007 >> 34.172 1.829 2.097 1972164 >> 34.207 1.828 2.227 1988414 >> 34.122 0.527 2.101 745484 >> 34.046 0.533 2.229 753474 >> 34.200 0.790 2.102 1054849 >> 34.083 0.790 2.230 542340 >> 50.817 0.948 3.995 2766096 >> 50.900 8.750 3.998 226868 >> 50.823 0.518 3.992 299164 >> 50.796 -0.600 3.995 1024391 >> 50.863 5.178 3.999 420601 >> 50.679 6.948 3.994 534110 >> 20.405 3.999 0.944 2147740 >> 20.469 1.458 0.942 1185201 >> 20.419 -0.599 0.944 3364487 >> 20.486 7.214 0.941 1110321 >> 20.450 6.922 0.952 1740124 >> 52.729 1.630 4.556 1121748 >> 52.700 0.811 4.551 1588461 >> 52.756 0.531 4.551 2896694 >> 44.265 1.647 0.811 3850814 >> 44.310 0.542 0.807 1521335 >> 44.265 0.530 1.646 786320 >> 44.280 1.468 0.809 1313906 >> 44.234 4.050 0.810 611015 >> 44.255 4.048 1.649 395413 >> 44.301 2.377 0.794 304374 >> 44.250 2.359 1.643 455944 >> 44.351 2.545 0.807 278519 >> 44.246 2.547 1.645 589338 >> 44.263 0.810 1.645 3763510 >> 25.749 1.644 0.701 1511481 >> 25.691 4.052 0.699 312084 >> 25.800 2.051 0.702 734227 >> 25.878 1.453 0.702 2753516 >> 21.494 1.951 0.525 812427 >> 21.521 2.109 0.523 1109406 >> 21.400 2.243 0.518 560756 >> 21.450 1.653 0.531 800726 >> 21.519 1.449 0.524 2314156 >> 56.716 7.260 4.302 1374719 >> 56.747 2.508 4.303 1669592 >> 63.715 2.328 4.277 2428435 >> 51.247 3.368 4.379 995009 >> 51.244 4.369 3.370 678194 >> 51.242 2.798 3.363 657609 >> 51.239 2.802 4.384 394043 >> 56.287 1.149 4.593 1215941 >> 40.306 1.151 1.711 4054348 >> 40.306 1.718 1.146 3724836 >> 58.292 2.981 4.996 1314978 >> 58.301 3.317 4.997 1384630 >> 58.160 1.457 5.002 208418 >> 58.454 2.010 4.999 174428 >> 58.213 2.439 4.999 201550 >> 32.229 2.435 3.320 368006 >> 57.956 0.809 4.047 1508324 >> 57.943 1.633 4.047 777181 >> 57.927 0.529 4.052 314706 >> 57.945 1.498 4.046 1476229 >> 57.967 2.034 4.047 2876333 >> 27.336 0.702 2.034 347657 >> 27.402 1.475 2.025 2188110 >> 27.275 4.053 2.019 751250 >> 27.348 3.078 2.030 699125 >> 27.660 4.048 1.429 409607 >> 27.544 4.045 1.514 415603 >> 27.567 2.021 1.429 2170365 >> 27.591 2.025 1.511 2009790 >> 27.894 3.078 1.429 1591850 >> 27.839 3.076 1.512 1529036 >> 53.787 2.437 4.698 1201224 >> 53.808 3.645 4.699 965727 >> 53.789 3.846 4.699 1482071 >> 53.812 0.518 4.688 566937 >> 63.640 1.921 4.579 916540 >> 63.605 2.279 4.580 1593306 >> 63.636 1.778 4.579 699098 >> 63.671 2.160 4.579 517225 >> 63.629 0.527 4.580 3438564 >> 63.634 0.783 4.582 325115 >> 63.555 1.614 4.578 310425 >> 63.668 1.467 4.581 339241 >> 28.100 3.640 1.772 500438 >> 27.950 3.844 1.771 492180 >> 27.987 3.646 2.148 1042902 >> 28.002 3.844 2.151 755488 >> 54.029 0.809 4.458 2448760 >> 54.044 1.476 4.459 2377801 >> 28.022 0.948 0.503 1960389 >> 27.996 4.343 0.503 241662 >> 28.021 0.803 0.502 2904376 >> 27.950 1.584 0.502 2346530 >> 28.010 1.478 0.502 2363414 >> 28.037 2.893 0.503 800354 >> 28.039 6.915 0.501 718924 >> 27.986 1.200 0.501 384746 >> 28.005 1.814 0.503 864964 >> 28.041 -0.599 0.502 2349453 >> 28.027 0.255 0.502 2515966 >> 28.029 2.730 0.503 1470321 >> 25.030 4.347 0.794 313316 >> 25.079 4.460 0.804 401018 >> 25.019 1.822 0.805 990998 >> 55.186 2.133 4.483 1948054 >> 55.243 2.318 4.477 2067160 >> 55.119 2.445 4.481 1391616 >> 62.020 1.954 4.255 890616 >> 61.980 0.673 4.256 2227608 >> 61.999 0.985 4.255 2190265 >> 62.109 5.152 4.260 307606 >> 62.154 6.905 4.255 465643 >> 62.225 6.742 4.248 202904 >> 32.006 0.983 1.947 2846148 >> 32.014 0.678 1.949 2950413 >> 21.420 4.258 0.670 982105 >> 21.416 1.954 0.670 3275798 >> 21.367 0.979 0.670 4783236 >> 21.393 1.328 0.674 709923 >> 21.431 2.870 0.670 527724 >> 21.457 6.909 0.666 325939 >> 21.419 6.732 0.669 574110 >> 20.896 4.256 0.984 1267415 >> 20.857 1.954 0.984 3692910 >> 20.794 6.732 0.979 1934519 >> 53.377 1.259 4.496 2208265 >> 53.286 0.570 4.500 3386476 >> 25.356 1.468 0.535 1362479 >> 25.221 1.290 0.533 1463027 >> 25.382 2.385 0.532 439758 >> 25.342 2.618 0.533 855576 >> 25.386 2.930 0.533 462476 >> 25.249 6.930 0.536 348296 >> 25.310 7.254 0.526 167133 >> 23.190 2.288 0.575 672136 >> 23.212 4.506 0.576 382577 >> 23.205 2.441 0.574 289877 >> 55.700 1.661 4.829 1799334 >> 55.516 1.738 4.831 2076474 >> 55.503 1.269 4.833 1670561 >> 55.450 4.568 4.836 216863 >> 55.566 0.557 4.833 699984 >> 55.502 0.723 4.833 729778 >> 51.793 1.292 4.528 5588094 >> 20.639 4.534 1.288 753371 >> 20.607 2.902 1.289 362265 >> 59.596 1.303 4.069 219637 >> 59.629 2.887 4.073 1204608 >> 59.625 3.063 4.071 2337548 >> 45.427 3.665 4.067 10106155 >> 45.421 4.071 3.659 8508505 >> 50.936 1.378 4.615 5820260 >> 50.773 0.555 4.617 178518 >> 50.947 0.739 4.611 460497 >> 21.244 4.618 1.374 322227 >> 61.267 1.786 4.563 1492914 >> 61.279 0.558 4.563 2410035 >> 61.273 0.729 4.563 2234943 >> 21.198 1.788 0.547 3694872 >> 20.989 6.911 0.553 255229 >> 21.141 6.728 0.551 725660 >> 21.379 4.567 0.530 488890 >> 20.738 1.276 0.727 473092 >> 20.849 1.785 0.727 2586850 >> 52.034 0.938 5.018 362286 >> 52.147 0.553 5.017 421596 >> 52.095 2.398 5.018 1290422 >> 52.103 2.543 5.017 2135104 >> 52.097 6.918 5.020 477405 >> 57.123 4.259 5.146 517949 >> 57.342 0.664 5.150 302806 >> 57.275 0.522 5.147 623774 >> 57.523 1.346 5.163 247572 >> 57.448 2.707 5.156 1776320 >> 57.172 2.906 5.143 830444 >> 57.436 6.926 5.155 1693895 >> 57.451 0.962 5.155 657588 >> 57.332 1.468 5.151 392354 >> 41.287 0.514 2.893 764139 >> 41.241 0.815 2.711 743597 >> 41.292 1.486 2.716 658947 >> 41.349 6.913 2.903 901646 >> 41.308 0.507 2.716 1076037 >> 41.204 6.931 2.721 1571455 >> 56.350 0.927 5.043 658740 >> 56.243 0.804 5.043 255297 >> 56.252 0.561 5.037 357071 >> 56.334 2.628 5.042 1321085 >> 56.317 2.932 5.042 892573 >> 56.294 6.931 5.043 961290 >> 44.300 0.945 2.625 572380 >> 44.454 0.930 2.927 250439 >> 44.296 0.546 2.622 941203 >> 44.350 0.552 2.925 656925 >> 44.294 6.933 2.624 1024872 >> 44.357 6.934 2.925 1061883 >> 44.357 6.934 2.925 1061883 >> 57.922 2.137 4.688 321289 >> 58.076 0.548 4.685 343096 >> 57.900 2.754 4.686 2153343 >> 58.033 2.519 4.684 338699 >> 56.674 6.935 4.302 333932 >> 51.954 2.993 4.853 1868272 >> 39.200 2.145 2.528 693299 >> 39.432 2.144 2.988 417649 >> 39.431 2.532 2.987 8927233 >> 39.427 2.991 2.525 9041210 >> 45.022 3.444 3.994 3697321 >> 45.015 4.000 3.439 2963084 >> 59.451 7.148 4.618 973049 >> 59.311 2.988 4.605 874074 >> 59.472 3.375 4.617 1075557 >> 29.953 7.150 3.368 192309 >> 30.030 2.991 3.367 2270491 >> 30.040 3.373 2.985 1508832 >> 30.031 0.602 2.988 525644 >> 30.090 0.596 3.369 731914 >> 45.452 2.927 3.690 4929956 >> 45.452 3.696 2.923 3963686 >> 45.358 1.657 3.691 174143 >> 55.565 0.928 4.616 2279480 >> 55.596 1.660 4.614 3224987 >> 24.764 1.652 0.932 6455410 >> 56.860 0.598 4.206 2730331 >> 56.871 1.185 4.207 298565 >> 56.855 0.743 4.206 2889508 >> 9.393 2.761 0.590 798112 >> 9.367 2.988 0.590 678790 >> 9.363 4.210 0.589 1641604 >> 9.372 1.189 0.589 1924365 >> 9.431 3.371 0.590 870670 >> 9.369 1.826 0.590 3389428 >> 18.049 3.361 0.738 625389 >> 18.000 4.366 0.741 302230 >> 18.044 4.214 0.739 1220612 >> 18.067 1.192 0.742 966543 >> 18.114 1.661 0.742 1840696 >> 17.888 3.157 0.739 236897 >> 18.067 2.795 0.739 1021201 >> 18.092 -0.597 0.747 419533 >> 18.060 0.250 0.743 2916072 >> 18.059 1.823 0.740 3598566 >> 58.105 3.784 4.380 1716640 >> 58.105 4.077 4.378 3065778 >> 63.371 4.384 3.776 675544 >> 63.310 4.381 4.072 1016956 >> 60.334 6.913 3.910 412741 >> 60.309 2.086 3.913 2592665 >> 60.346 1.727 3.914 1136671 >> 60.310 1.359 3.915 499342 >> 60.237 -0.601 3.919 246502 >> 60.333 0.248 3.913 2449280 >> 57.749 1.834 4.186 3772191 >> 57.869 1.459 4.186 1311837 >> 64.906 3.364 2.790 466738 >> 64.861 0.515 2.792 605811 >> 64.882 0.747 2.790 1307918 >> 64.902 1.362 2.792 907601 >> 64.886 -0.600 2.791 1786662 >> 64.895 0.249 2.792 2116199 >> 32.058 3.922 1.349 280482 >> 32.185 2.803 1.355 571794 >> 32.132 -0.600 1.351 2353714 >> 32.122 0.249 1.352 2423421 >> 32.141 7.207 1.355 527171 >> 21.047 3.995 -0.605 566880 >> 21.029 0.949 -0.604 2518217 >> 21.036 0.512 -0.603 2064047 >> 21.080 0.779 -0.606 574971 >> 21.049 2.797 -0.603 1222454 >> 21.031 1.360 -0.603 2497956 >> 21.033 0.250 -0.604 3752067 >> 21.005 7.214 -0.602 502170 >> 20.981 6.955 -0.605 753075 >> 22.609 0.943 0.247 400242 >> 22.821 0.514 0.246 1867697 >> 22.761 1.813 0.246 807540 >> 22.781 0.750 0.246 2210232 >> 22.784 3.922 0.246 1409808 >> 22.758 2.797 0.247 1555417 >> 22.776 1.357 0.246 2572409 >> 22.776 -0.600 0.246 3936342 >> 22.764 6.918 0.247 826095 >> 51.007 -0.600 4.827 311743 >> 51.119 2.353 4.828 2038049 >> 39.118 0.790 2.346 605105 >> 39.118 0.798 2.547 728751 >> 39.123 1.645 2.347 835552 >> 39.134 1.652 2.545 1028124 >> 39.337 -0.603 2.342 160458 >> 39.270 -0.602 2.538 147259 >> 57.844 3.999 5.168 1238746 >> 57.844 3.999 5.168 1238746 >> 57.874 -0.601 5.167 386752 >> 57.678 0.795 5.165 443174 >> 41.297 0.246 2.718 233362 >> 21.315 4.527 0.805 270426 >> 21.329 2.060 0.804 3546417 >> 19.352 2.061 0.777 3585320 >> 61.194 5.203 4.351 484868 >> 61.175 0.545 4.347 1826799 >> 61.139 0.390 4.340 833730 >> 61.171 1.347 4.347 913895 >> 61.154 0.827 4.344 3131411 >> 13.017 3.539 0.377 276712 >> 12.995 3.183 0.374 1231006 >> 13.077 7.285 0.374 215726 >> 12.938 7.074 0.376 388281 >> 12.987 1.696 0.375 1670201 >> 12.985 1.350 0.373 1655054 >> 12.992 0.822 0.374 5221490 >> 27.850 4.350 0.837 197664 >> 17.757 2.455 0.823 382254 >> 17.779 3.179 0.820 844238 >> 17.802 7.068 0.819 816874 >> 17.800 4.348 0.817 670159 >> 17.788 1.684 0.820 3362165 >> 17.800 0.390 0.826 3287918 >> 17.800 1.357 0.821 549487 >> 57.536 3.733 4.543 2611090 >> 54.089 2.716 4.713 4144019 >> 56.152 2.091 4.310 2496470 >> 56.299 2.304 4.309 2412504 >> 55.033 0.809 4.250 2905417 >> 23.267 4.253 0.801 1499747 >> 23.300 1.518 0.800 1734637 >> 55.115 3.178 4.633 5356653 >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 1H 1 H . 6898.236 . . . 15338 3 >> 2 13C 13 C . 12066.365 . . . 15338 3 >> 3 1H 1 'Aliphatic H' . 11001.100 . . . 15338 3 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_4 _Saveframe_category spectral_peak_list _Details . _Experiment_label '3D aromatic 1H-13C NOESY' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 1H H 2 13C C 3 1H 'Aromatic H' stop_ _Sample_label $sample_2 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_4 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_4 >> _Spectral_peak_list.Entry_ID 15338 >> _Spectral_peak_list.ID 4 >> _Spectral_peak_list.Sample_ID 2 >> _Spectral_peak_list.Sample_label $sample_2 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 14 >> _Spectral_peak_list.Experiment_name '3D aromatic 1H-13C NOESY' >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >> w1 w2 w3 Data Height >> >> 131.489 1.671 7.279 82894 >> 131.457 1.659 6.941 153442 >> 133.148 0.264 6.929 181766 >> 133.197 1.751 6.927 72661 >> 117.525 -0.594 6.748 64983 >> 117.599 1.742 6.742 114468 >> 117.565 1.944 6.745 105503 >> 133.140 -0.594 6.928 55148 >> 131.332 0.850 7.291 87216 >> 119.680 4.150 7.094 125126 >> 119.926 3.004 7.471 56286 >> 137.466 2.994 7.676 380356 >> 137.460 3.325 7.675 215414 >> 137.437 1.155 7.663 61558 >> 119.433 0.941 7.071 57460 >> 119.461 3.489 7.079 73990 >> 119.916 3.341 7.467 52046 >> 119.916 3.341 7.467 52046 >> 119.762 3.551 7.464 57034 >> 119.919 1.112 7.468 77656 >> 135.263 1.109 8.692 135745 >> 119.778 2.147 7.095 108482 >> 119.806 3.167 7.093 215408 >> 119.767 4.140 7.093 130486 >> 119.729 2.461 7.091 141228 >> 135.809 3.837 8.474 129513 >> 135.829 1.388 8.475 101005 >> 131.513 0.948 7.276 125787 >> 131.891 2.473 7.074 144263 >> 131.892 3.189 7.078 128836 >> 131.826 0.402 7.085 84738 >> 131.835 0.840 7.081 179995 >> 133.192 0.531 6.927 212991 >> 133.120 1.484 6.930 144790 >> 133.080 0.704 6.928 72302 >> 133.135 2.734 6.928 226116 >> 133.121 2.916 6.925 239081 >> 133.115 6.747 6.927 1229812 >> 133.147 0.980 6.928 417808 >> 117.512 2.086 6.746 92157 >> 117.607 0.705 6.743 142281 >> 117.536 0.981 6.746 573483 >> 117.516 0.567 6.745 155942 >> 117.540 6.922 6.745 1305353 >> 131.475 0.566 6.946 161683 >> 131.548 2.633 6.936 264252 >> 131.462 2.945 6.941 231076 >> 131.571 0.573 7.278 83617 >> 131.467 2.632 7.285 89084 >> 131.481 2.931 7.280 124692 >> 131.506 2.514 7.280 142402 >> 129.444 -0.583 7.001 79451 >> 129.449 7.220 7.002 619953 >> 131.541 1.333 6.954 177871 >> 131.548 2.723 6.952 239121 >> 131.510 0.948 6.946 326819 >> 131.620 -0.585 6.954 72171 >> 131.498 0.950 7.225 162661 >> 131.556 1.362 7.221 135494 >> 131.546 -0.595 7.221 107412 >> 131.467 2.721 7.220 108410 >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 1H 1 H . 6898.236 . . . 15338 4 >> 2 13C 13 C . 4524.119 . . . 15338 4 >> 3 1H 1 'Aromatic H' . 11001.100 . . . 15338 4 >> >> stop_ >> >>save_ >> ; save_