data_15338 save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of Protein YfgJ from Salmonella Typhimurium. Northeast Structural Genomics Target StR86. ; 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_ _BMRB_accession_number 15338 _BMRB_flat_file_name bmr15338.str _Entry_type new _Submission_date 2007-06-28 _Accession_date 2007-06-28 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR 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" 508 "13C chemical shifts" 330 "15N chemical shifts" 74 stop_ save_ save_entry_citation _Saveframe_category entry_citation _Citation_title "NMR Structure of Protein YfgJ from Salmonella Typhimurium." _Citation_status "in preparation" _Citation_type journal _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 ? _Page_first ? _Page_last ? _Year ? save_ save_assembly _Saveframe_category molecular_system _Mol_system_name "YfgJ monomer" loop_ _Mol_system_component_name _Mol_label protein $protein "Zinc ion, 1" $ZN "Zinc ion, 2" $ZN stop_ _System_physical_state native _System_oligomer_state monomeric _System_paramagnetic no save_ 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" _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_ save_ save_crosslink_bonds _Saveframe_category crosslink_bonds loop_ _Bond_order _Bond_type _Atom_one_mol_system_component_name _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_mol_system_component_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name single coordination protein 5 CYS SG "Zinc ion, 1" ? ? ZN single coordination protein 8 CYS SG "Zinc ion, 1" ? ? ZN single coordination protein 21 CYS NE2 "Zinc ion, 1" ? ? ZN single coordination protein 24 CYS SG "Zinc ion, 1" ? ? ZN single coordination protein 30 CYS SG "Zinc ion, 1" ? ? ZN single coordination protein 33 CYS SG "Zinc ion, 1" ? ? ZN single coordination protein 38 CYS SG "Zinc ion, 1" ? ? ZN single coordination protein 43 HIS NE2 "Zinc ion, 1" ? ? ZN stop_ save_ save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $protein "Salmonella typhimurium" 602 Bacteria ? Salmonella typhimurium stop_ save_ 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_ save_sample_1 _Saveframe_category sample _Sample_type solution 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 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 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_ 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_ 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_ save_ save_AutoStructure _Saveframe_category software _Name AutoStructure _Version 2.1.1 loop_ _Vendor _Address _Electronic_address "Huang, Tejero, Powers and Montelione" ? ? stop_ loop_ _Task "data analysis" stop_ save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.1 loop_ _Vendor _Address _Electronic_address Goddard ? ? stop_ loop_ _Task "peak picking" stop_ 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_ save_ save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 save_ save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name "2D 1H-15N HSQC" _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name "2D 1H-13C HSQC" _Sample_label $sample_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_sample_conditions_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 293 1 K pH 4.5 0.2 pH pressure 1 1 atm "ionic strength" 100 1 M stop_ save_ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference 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 H 1 "methyl protons" ppm 0.00 internal direct ? ? ? 1.000000000 DSS C 13 "methyl protons" ppm 0.00 n/a indirect ? ? ? 0.251449530 DSS N 15 "methyl protons" ppm 0.00 n/a indirect ? ? ? 0.101329118 stop_ save_ save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts loop_ _Software_label $NMRPipe $SPARKY stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name protein 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 _Experiment_label "3D 1H-15N NOESY" _Number_of_spectral_dimensions ? 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 ; 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 ; save_ save_spectral_peak_list_2 _Saveframe_category spectral_peak_list _Experiment_label "3D 1H-13C NOESY" _Number_of_spectral_dimensions ? 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 ; 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 ; save_ save_spectral_peak_list_3 _Saveframe_category spectral_peak_list _Experiment_label "3D 1H-13C NOESY" _Number_of_spectral_dimensions ? 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 ; 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 ; save_ save_spectral_peak_list_4 _Saveframe_category spectral_peak_list _Experiment_label "3D aromatic 1H-13C NOESY" _Number_of_spectral_dimensions ? 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 ; 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 ; save_