data_15258 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution structure of Vibrio parahaemolyticus VP2129 homodimer. Northeast Structural Genomics target VpR61. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ramelot Theresa A. . 2 Cort John R. . 3 Wang Huang . . 4 Nwosu Chioma . . 5 Cunningham Kellie . . 6 Owens Leah . . 7 Ma Li-Chung . . 8 Xiao Rong . . 9 Liu Jinfeng . . 10 Baran Michael C. . 11 Swapna G.V.T. . . 12 Acton Thomas B. . 13 Rost Burkhard . . 14 Montelione Gaetano T. . 15 Kennedy Michael A. . stop_ _BMRB_accession_number 15258 _BMRB_flat_file_name bmr15258.str _Entry_type new _Submission_date 2007-05-21 _Accession_date 2007-05-21 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details "homodimer. All helical. domain swapped dimer." loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 spectral_peak_list 6 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 587 "13C chemical shifts" 348 "15N chemical shifts" 86 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Solution NMR structure of Vibrio parahaemolyticus VP2129. Northeast Structural Genomics ; _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 Ramelot Theresa A. . 2 Cort John R. . 3 Montelione Gaetano A. . 4 Kennedy Michael A. . stop_ _Journal_abbreviation ? _Journal_volume ? _Journal_issue ? _Journal_CSD ? _Page_first ? _Page_last ? _Year ? loop_ _Keyword dimer helix stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name VP2129 loop_ _Mol_system_component_name _Mol_label "subunit 1" $VP2129 "subunit 2" $VP2129 stop_ _System_molecular_weight 18.6 _System_physical_state native _System_oligomer_state dimeric _System_paramagnetic no _Details homodimer save_ ######################## # Monomeric polymers # ######################## save_VP2129 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common VP2129 _Molecular_mass 18557.6 _Mol_thiol_state "not present" loop_ _Biological_function dimer unknown stop_ ############################## # Polymer residue sequence # ############################## _Residue_count 166 _Mol_residue_sequence ; MPITSKYTDEQVEKILAEVA LVLEKHAASPELTLMIAGNI ATNVLNQRVAASQRKLIAEK FAQALMSSLETPKTHLEHHH HHHMPITSKYTDEQVEKILA EVALVLEKHAASPELTLMIA GNIATNVLNQRVAASQRKLI AEKFAQALMSSLETPKTHLE HHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 PRO 3 ILE 4 THR 5 SER 6 LYS 7 TYR 8 THR 9 ASP 10 GLU 11 GLN 12 VAL 13 GLU 14 LYS 15 ILE 16 LEU 17 ALA 18 GLU 19 VAL 20 ALA 21 LEU 22 VAL 23 LEU 24 GLU 25 LYS 26 HIS 27 ALA 28 ALA 29 SER 30 PRO 31 GLU 32 LEU 33 THR 34 LEU 35 MET 36 ILE 37 ALA 38 GLY 39 ASN 40 ILE 41 ALA 42 THR 43 ASN 44 VAL 45 LEU 46 ASN 47 GLN 48 ARG 49 VAL 50 ALA 51 ALA 52 SER 53 GLN 54 ARG 55 LYS 56 LEU 57 ILE 58 ALA 59 GLU 60 LYS 61 PHE 62 ALA 63 GLN 64 ALA 65 LEU 66 MET 67 SER 68 SER 69 LEU 70 GLU 71 THR 72 PRO 73 LYS 74 THR 75 HIS 76 LEU 77 GLU 78 HIS 79 HIS 80 HIS 81 HIS 82 HIS 83 HIS 84 MET 85 PRO 86 ILE 87 THR 88 SER 89 LYS 90 TYR 91 THR 92 ASP 93 GLU 94 GLN 95 VAL 96 GLU 97 LYS 98 ILE 99 LEU 100 ALA 101 GLU 102 VAL 103 ALA 104 LEU 105 VAL 106 LEU 107 GLU 108 LYS 109 HIS 110 ALA 111 ALA 112 SER 113 PRO 114 GLU 115 LEU 116 THR 117 LEU 118 MET 119 ILE 120 ALA 121 GLY 122 ASN 123 ILE 124 ALA 125 THR 126 ASN 127 VAL 128 LEU 129 ASN 130 GLN 131 ARG 132 VAL 133 ALA 134 ALA 135 SER 136 GLN 137 ARG 138 LYS 139 LEU 140 ILE 141 ALA 142 GLU 143 LYS 144 PHE 145 ALA 146 GLN 147 ALA 148 LEU 149 MET 150 SER 151 SER 152 LEU 153 GLU 154 THR 155 PRO 156 LYS 157 THR 158 HIS 159 LEU 160 GLU 161 HIS 162 HIS 163 HIS 164 HIS 165 HIS 166 HIS stop_ _Sequence_homology_query_date 2007-06-28 _Sequence_homology_query_revised_last_date 2007-06-28 save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $VP2129 "Vibrio parahaemolyticus" 670 Bacteria ? Vibrio parahaemolyticus VP2129 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $VP2129 "recombinant technology" ? Escherichia coli "BL21 DE3 pMGK" pET21 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC_sample _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $VP2129 1.4 mM "[U-13C; U-15N]" "sodium chloride" 100 mM "natural abundance" "calcium chloride" 5 mM "natural abundance" "ammonium acetate" 20 mM "natural abundance" DTT 10 mM "natural abundance" "sodium azide" 0.02 % "natural abundance" H2O 95 % "natural abundance" D2O 5 % ? stop_ save_ save_NC5_sample _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $VP2129 1.4 mM "[U-5% 13C; U-100% 15N]" "sodium chloride" 100 mM "natural abundance" "calcium chloride" 5 mM "natural abundance" "ammonium acetate" 20 mM "natural abundance" DTT 10 mM "natural abundance" "sodium azide" 0.02 % "natural abundance" H2O 95 % "natural abundance" D2O 5 % ? stop_ save_ save_NC_in_D2O _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $VP2129 1.4 mM "[U-13C; U-15N]" "sodium chloride" 100 mM "natural abundance" "calcium chloride" 5 mM "natural abundance" "ammonium acetate" 20 mM "natural abundance" DTT 10 mM "natural abundance" "sodium azide" 0.02 % "natural abundance" D2O 100 % ? stop_ save_ save_NC50_sample_in_D2O _Saveframe_category sample _Sample_type solution _Details ; 50% NC labeled and 50% unlabeled protein mixed together to form mixed homodimer. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $VP2129 0.4 mM "[U-13C; U-15N]" "sodium chloride" 100 mM "natural abundance" "calcium chloride" 5 mM "natural abundance" "ammonium acetate" 20 mM "natural abundance" DTT 10 mM "natural abundance" "sodium azide" 0.02 % "natural abundance" VP2129 0.4 mM "natural abundance" VP2129 100 % ? stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version nmrpipe_linux loop_ _Vendor _Address _Electronic_address "Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax" ? ? stop_ loop_ _Task processing stop_ save_ save_VNMR _Saveframe_category software _Name VNMR loop_ _Vendor _Address _Electronic_address Varian ? ? stop_ loop_ _Task collection 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_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_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address "Brunger, Adams, Clore, Gros, Nilges and Read" ? ? stop_ loop_ _Task refinement stop_ _Details "water refinement" save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.1 loop_ _Vendor _Address _Electronic_address Goddard ? ? stop_ loop_ _Task "data analysis" stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name "2D 1H-15N HSQC" _Sample_label $NC_sample save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name "2D 1H-13C HSQC" _Sample_label $NC_sample save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name "3D 1H-15N NOESY" _Sample_label $NC_sample save_ save_3D_1H-13C_NOESY_aliph_4 _Saveframe_category NMR_applied_experiment _Experiment_name "3D 1H-13C NOESY aliph" _Sample_label $NC_sample save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name "3D HNCACB" _Sample_label $NC_sample save_ save_2D_1H-13C_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name "2D 1H-13C HSQC" _Sample_label $NC5_sample save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name "3D 1H-13C NOESY" _Sample_label $NC_in_D2O save_ save_4D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name "4D 1H-13C NOESY" _Sample_label $NC_in_D2O save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name "3D HBHA(CO)NH" _Sample_label $NC_sample save_ save_3D_HNHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name "3D HNHA" _Sample_label $NC_sample save_ save_3D_CBCA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name "3D CBCA(CO)NH" _Sample_label $NC_sample save_ save_3D_HNCA_12 _Saveframe_category NMR_applied_experiment _Experiment_name "3D HNCA" _Sample_label $NC_sample save_ save_3D_HN(CO)CA_13 _Saveframe_category NMR_applied_experiment _Experiment_name "3D HN(CO)CA" _Sample_label $NC_sample save_ save_3D_HNCO_14 _Saveframe_category NMR_applied_experiment _Experiment_name "3D HNCO" _Sample_label $NC_sample save_ save_3D_C(CO)NH_15 _Saveframe_category NMR_applied_experiment _Experiment_name "3D C(CO)NH" _Sample_label $NC_sample save_ save_3D_HCCH-COSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name "3D HCCH-COSY" _Sample_label $NC_sample save_ save_3D_HCCH-TOCSY_17 _Saveframe_category NMR_applied_experiment _Experiment_name "3D HCCH-TOCSY" _Sample_label $NC_sample save_ save_2D_1H-13C_HSQC_18 _Saveframe_category NMR_applied_experiment _Experiment_name "2D 1H-13C HSQC" _Sample_label $NC_in_D2O save_ save_2D_1H-15N_HSQC_19 _Saveframe_category NMR_applied_experiment _Experiment_name "2D 1H-15N HSQC" _Sample_label $NC_in_D2O save_ save_3D_edited_filtered_1H-13C_NOESY_20 _Saveframe_category NMR_applied_experiment _Experiment_name "3D edited filtered 1H-13C NOESY" _Sample_label $NC50_sample_in_D2O save_ save_3D_1H-13C_NOESY_arom_21 _Saveframe_category NMR_applied_experiment _Experiment_name "3D 1H-13C NOESY arom" _Sample_label $NC_sample save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 293 1 K pH 5.5 0.2 pH pressure 1 ? atm "ionic strength" 0.1 0.02 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ 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 external direct ? "separate tube (no insert) similar to the experimental sample tube" ? 1.0 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_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique (geminal atoms and geminal methyl # # groups with identical chemical shifts # # are assumed to be assigned to # # stereospecific atoms) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. Tyr HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons or Trp HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $NC_sample stop_ loop_ _Software_label $AutoAssign stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name "subunit 1" loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 PRO HA H 4.42 0.02 1 2 2 2 PRO HB2 H 2.00 0.02 2 3 2 2 PRO HB3 H 2.43 0.02 2 4 2 2 PRO HD2 H 3.35 0.02 2 5 2 2 PRO HD3 H 3.41 0.02 2 6 2 2 PRO HG2 H 1.97 0.02 2 7 2 2 PRO HG3 H 2.03 0.02 2 8 2 2 PRO C C 172.6 0.2 1 9 2 2 PRO CA C 62.3 0.2 1 10 2 2 PRO CB C 32.7 0.2 1 11 2 2 PRO CD C 49.3 0.2 1 12 2 2 PRO CG C 26.4 0.2 1 13 3 3 ILE H H 8.72 0.02 1 14 3 3 ILE HA H 4.24 0.02 1 15 3 3 ILE HB H 1.85 0.02 1 16 3 3 ILE HD1 H 0.85 0.02 1 17 3 3 ILE HG12 H 1.48 0.02 2 18 3 3 ILE HG13 H 1.18 0.02 2 19 3 3 ILE HG2 H 0.90 0.02 1 20 3 3 ILE C C 176.2 0.2 1 21 3 3 ILE CA C 61.8 0.2 1 22 3 3 ILE CB C 38.7 0.2 1 23 3 3 ILE CD1 C 13.0 0.2 1 24 3 3 ILE CG1 C 27.3 0.2 1 25 3 3 ILE CG2 C 17.5 0.2 1 26 3 3 ILE N N 120.7 0.2 1 27 4 4 THR H H 8.31 0.02 1 28 4 4 THR HA H 4.40 0.02 1 29 4 4 THR HB H 4.20 0.02 1 30 4 4 THR HG2 H 1.17 0.02 1 31 4 4 THR C C 174.2 0.2 1 32 4 4 THR CA C 61.5 0.2 1 33 4 4 THR CB C 69.9 0.2 1 34 4 4 THR CG2 C 21.6 0.2 1 35 4 4 THR N N 118.5 0.2 1 36 5 5 SER H H 8.38 0.02 1 37 5 5 SER HA H 4.44 0.02 1 38 5 5 SER HB2 H 3.86 0.02 2 39 5 5 SER HB3 H 3.79 0.02 2 40 5 5 SER C C 174.2 0.2 1 41 5 5 SER CA C 58.2 0.2 1 42 5 5 SER CB C 64.0 0.2 1 43 5 5 SER N N 118.7 0.2 1 44 6 6 LYS H H 8.33 0.02 1 45 6 6 LYS HA H 4.21 0.02 1 46 6 6 LYS HB2 H 1.62 0.02 2 47 6 6 LYS HB3 H 1.65 0.02 2 48 6 6 LYS HD2 H 1.59 0.02 2 49 6 6 LYS HD3 H 1.61 0.02 2 50 6 6 LYS HE2 H 2.91 0.02 2 51 6 6 LYS HE3 H 2.91 0.02 2 52 6 6 LYS HG2 H 1.24 0.02 2 53 6 6 LYS HG3 H 1.25 0.02 2 54 6 6 LYS C C 176.1 0.2 1 55 6 6 LYS CA C 56.7 0.2 1 56 6 6 LYS CB C 33.1 0.2 1 57 6 6 LYS CD C 28.8 0.2 1 58 6 6 LYS CE C 42.1 0.2 1 59 6 6 LYS CG C 24.6 0.2 1 60 6 6 LYS N N 123.1 0.2 1 61 7 7 TYR H H 7.98 0.02 1 62 7 7 TYR HA H 4.75 0.02 1 63 7 7 TYR HB2 H 2.82 0.02 2 64 7 7 TYR HB3 H 3.01 0.02 2 65 7 7 TYR HD1 H 7.04 0.02 3 66 7 7 TYR HD2 H 7.04 0.02 3 67 7 7 TYR HE1 H 6.78 0.02 3 68 7 7 TYR HE2 H 6.78 0.02 3 69 7 7 TYR C C 176.2 0.2 1 70 7 7 TYR CA C 57.5 0.2 1 71 7 7 TYR CB C 39.5 0.2 1 72 7 7 TYR CD1 C 133.4 0.02 3 73 7 7 TYR CD2 C 133.4 0.02 3 74 7 7 TYR CE1 C 118.2 0.02 3 75 7 7 TYR CE2 C 118.2 0.02 3 76 7 7 TYR N N 119.7 0.2 1 77 8 8 THR H H 8.35 0.02 1 78 8 8 THR HA H 4.33 0.02 1 79 8 8 THR HB H 4.47 0.02 1 80 8 8 THR HG2 H 1.23 0.02 1 81 8 8 THR C C 174.9 0.2 1 82 8 8 THR CA C 61.6 0.2 1 83 8 8 THR CB C 70.3 0.2 1 84 8 8 THR CG2 C 21.7 0.2 1 85 8 8 THR N N 114.3 0.2 1 86 9 9 ASP H H 8.61 0.02 1 87 9 9 ASP HA H 4.39 0.02 1 88 9 9 ASP HB2 H 2.64 0.02 2 89 9 9 ASP HB3 H 2.70 0.02 2 90 9 9 ASP C C 178.1 0.2 1 91 9 9 ASP CA C 56.7 0.2 1 92 9 9 ASP CB C 40.3 0.2 1 93 9 9 ASP N N 121.9 0.2 1 94 10 10 GLU H H 8.54 0.02 1 95 10 10 GLU HA H 4.04 0.02 1 96 10 10 GLU HB2 H 1.96 0.02 2 97 10 10 GLU HB3 H 2.04 0.02 2 98 10 10 GLU HG2 H 2.25 0.02 2 99 10 10 GLU HG3 H 2.34 0.02 2 100 10 10 GLU C C 178.4 0.2 1 101 10 10 GLU CA C 59.4 0.2 1 102 10 10 GLU CB C 29.3 0.2 1 103 10 10 GLU CG C 36.3 0.2 1 104 10 10 GLU N N 120.2 0.2 1 105 11 11 GLN H H 7.98 0.02 1 106 11 11 GLN HA H 4.02 0.02 1 107 11 11 GLN HB2 H 2.07 0.02 2 108 11 11 GLN HB3 H 2.31 0.02 2 109 11 11 GLN HE21 H 7.57 0.02 1 110 11 11 GLN HE22 H 7.01 0.02 1 111 11 11 GLN HG2 H 2.34 0.02 2 112 11 11 GLN HG3 H 2.44 0.02 2 113 11 11 GLN C C 178.4 0.2 1 114 11 11 GLN CA C 59.4 0.2 1 115 11 11 GLN CB C 28.9 0.2 1 116 11 11 GLN CG C 34.4 0.2 1 117 11 11 GLN N N 119.3 0.2 1 118 11 11 GLN NE2 N 111.9 0.2 1 119 12 12 VAL H H 7.98 0.02 1 120 12 12 VAL HA H 3.29 0.02 1 121 12 12 VAL HB H 2.14 0.02 1 122 12 12 VAL HG1 H 0.77 0.02 2 123 12 12 VAL HG2 H 0.95 0.02 2 124 12 12 VAL C C 177.3 0.2 1 125 12 12 VAL CA C 67.2 0.2 1 126 12 12 VAL CB C 31.8 0.2 1 127 12 12 VAL CG1 C 21.1 0.02 2 128 12 12 VAL CG2 C 23.4 0.02 2 129 12 12 VAL N N 119.3 0.2 1 130 13 13 GLU H H 8.18 0.02 1 131 13 13 GLU HA H 3.83 0.02 1 132 13 13 GLU HB2 H 2.03 0.02 2 133 13 13 GLU HB3 H 2.03 0.02 2 134 13 13 GLU HG2 H 2.28 0.02 2 135 13 13 GLU HG3 H 2.37 0.02 2 136 13 13 GLU C C 179.5 0.2 1 137 13 13 GLU CA C 59.6 0.2 1 138 13 13 GLU CB C 29.1 0.2 1 139 13 13 GLU CG C 35.6 0.2 1 140 13 13 GLU N N 117.7 0.2 1 141 14 14 LYS H H 7.83 0.02 1 142 14 14 LYS HA H 4.05 0.02 1 143 14 14 LYS HB2 H 1.85 0.02 2 144 14 14 LYS HB3 H 1.85 0.02 2 145 14 14 LYS HD2 H 1.68 0.02 2 146 14 14 LYS HD3 H 1.68 0.02 2 147 14 14 LYS HE2 H 2.96 0.02 2 148 14 14 LYS HE3 H 2.96 0.02 2 149 14 14 LYS HG2 H 1.46 0.02 2 150 14 14 LYS HG3 H 1.58 0.02 2 151 14 14 LYS C C 179.0 0.2 1 152 14 14 LYS CA C 59.3 0.2 1 153 14 14 LYS CB C 32.3 0.2 1 154 14 14 LYS CD C 29.1 0.2 1 155 14 14 LYS CE C 42.1 0.2 1 156 14 14 LYS CG C 25.3 0.2 1 157 14 14 LYS N N 119.3 0.2 1 158 15 15 ILE H H 7.75 0.02 1 159 15 15 ILE HA H 3.26 0.02 1 160 15 15 ILE HB H 1.61 0.02 1 161 15 15 ILE HD1 H 0.55 0.02 1 162 15 15 ILE HG12 H -0.30 0.02 2 163 15 15 ILE HG13 H 1.45 0.02 2 164 15 15 ILE HG2 H 0.62 0.02 1 165 15 15 ILE C C 178.0 0.2 1 166 15 15 ILE CA C 65.6 0.2 1 167 15 15 ILE CB C 37.8 0.2 1 168 15 15 ILE CD1 C 14.4 0.2 1 169 15 15 ILE CG1 C 28.4 0.2 1 170 15 15 ILE CG2 C 17.9 0.2 1 171 15 15 ILE N N 119.3 0.2 1 172 16 16 LEU H H 8.57 0.02 1 173 16 16 LEU HA H 3.80 0.02 1 174 16 16 LEU HB2 H 1.53 0.02 2 175 16 16 LEU HB3 H 1.72 0.02 2 176 16 16 LEU HD1 H 0.78 0.02 2 177 16 16 LEU HD2 H 0.81 0.02 2 178 16 16 LEU HG H 1.67 0.02 1 179 16 16 LEU C C 179.2 0.2 1 180 16 16 LEU CA C 58.5 0.2 1 181 16 16 LEU CB C 41.4 0.2 1 182 16 16 LEU CD1 C 26.0 0.02 2 183 16 16 LEU CD2 C 24.6 0.02 2 184 16 16 LEU CG C 27.0 0.2 1 185 16 16 LEU N N 119.7 0.2 1 186 17 17 ALA H H 7.94 0.02 1 187 17 17 ALA HA H 4.14 0.02 1 188 17 17 ALA HB H 1.50 0.02 1 189 17 17 ALA C C 180.6 0.2 1 190 17 17 ALA CA C 55.0 0.2 1 191 17 17 ALA CB C 17.8 0.2 1 192 17 17 ALA N N 121.0 0.2 1 193 18 18 GLU H H 7.78 0.02 1 194 18 18 GLU HA H 4.06 0.02 1 195 18 18 GLU HB2 H 2.11 0.02 2 196 18 18 GLU HB3 H 2.29 0.02 2 197 18 18 GLU HG2 H 2.29 0.02 2 198 18 18 GLU HG3 H 2.63 0.02 2 199 18 18 GLU C C 180.2 0.2 1 200 18 18 GLU CA C 59.8 0.2 1 201 18 18 GLU CB C 30.5 0.2 1 202 18 18 GLU CG C 37.0 0.2 1 203 18 18 GLU N N 119.4 0.2 1 204 19 19 VAL H H 8.58 0.02 1 205 19 19 VAL HA H 3.51 0.02 1 206 19 19 VAL HB H 2.17 0.02 1 207 19 19 VAL HG1 H 0.85 0.02 2 208 19 19 VAL HG2 H 1.00 0.02 2 209 19 19 VAL C C 177.4 0.2 1 210 19 19 VAL CA C 67.4 0.2 1 211 19 19 VAL CB C 31.5 0.2 1 212 19 19 VAL CG1 C 21.5 0.02 2 213 19 19 VAL CG2 C 23.6 0.02 2 214 19 19 VAL N N 120.5 0.2 1 215 20 20 ALA H H 8.70 0.02 1 216 20 20 ALA HA H 3.99 0.02 1 217 20 20 ALA HB H 1.50 0.02 1 218 20 20 ALA C C 180.3 0.2 1 219 20 20 ALA CA C 55.5 0.2 1 220 20 20 ALA CB C 17.7 0.2 1 221 20 20 ALA N N 122.0 0.2 1 222 21 21 LEU H H 7.54 0.02 1 223 21 21 LEU HA H 4.14 0.02 1 224 21 21 LEU HB2 H 1.67 0.02 2 225 21 21 LEU HB3 H 1.87 0.02 2 226 21 21 LEU HD1 H 0.94 0.02 2 227 21 21 LEU HD2 H 0.90 0.02 2 228 21 21 LEU HG H 1.80 0.02 1 229 21 21 LEU C C 179.6 0.2 1 230 21 21 LEU CA C 58.1 0.2 1 231 21 21 LEU CB C 41.9 0.2 1 232 21 21 LEU CD1 C 24.8 0.02 2 233 21 21 LEU CD2 C 23.8 0.02 2 234 21 21 LEU CG C 26.8 0.2 1 235 21 21 LEU N N 117.6 0.2 1 236 22 22 VAL H H 7.40 0.02 1 237 22 22 VAL HA H 3.65 0.02 1 238 22 22 VAL HB H 2.42 0.02 1 239 22 22 VAL HG1 H 1.06 0.02 2 240 22 22 VAL HG2 H 1.12 0.02 2 241 22 22 VAL C C 178.4 0.2 1 242 22 22 VAL CA C 66.7 0.2 1 243 22 22 VAL CB C 31.9 0.2 1 244 22 22 VAL CG1 C 23.0 0.02 2 245 22 22 VAL CG2 C 22.2 0.02 2 246 22 22 VAL N N 120.1 0.2 1 247 23 23 LEU H H 7.78 0.02 1 248 23 23 LEU HA H 3.80 0.02 1 249 23 23 LEU HB2 H 1.49 0.02 2 250 23 23 LEU HB3 H 1.97 0.02 2 251 23 23 LEU HD1 H 0.85 0.02 2 252 23 23 LEU HD2 H 0.70 0.02 2 253 23 23 LEU HG H 1.73 0.02 1 254 23 23 LEU C C 179.4 0.2 1 255 23 23 LEU CA C 58.5 0.2 1 256 23 23 LEU CB C 40.5 0.2 1 257 23 23 LEU CD1 C 26.2 0.02 2 258 23 23 LEU CD2 C 22.8 0.02 2 259 23 23 LEU CG C 27.4 0.2 1 260 23 23 LEU N N 118.3 0.2 1 261 24 24 GLU H H 8.53 0.02 1 262 24 24 GLU HA H 4.12 0.02 1 263 24 24 GLU HB2 H 2.11 0.02 2 264 24 24 GLU HB3 H 2.11 0.02 2 265 24 24 GLU HG2 H 2.24 0.02 2 266 24 24 GLU HG3 H 2.37 0.02 2 267 24 24 GLU C C 180.9 0.2 1 268 24 24 GLU CA C 59.1 0.2 1 269 24 24 GLU CB C 29.6 0.2 1 270 24 24 GLU CG C 36.0 0.2 1 271 24 24 GLU N N 119.5 0.2 1 272 25 25 LYS H H 8.38 0.02 1 273 25 25 LYS HA H 4.04 0.02 1 274 25 25 LYS HB2 H 1.80 0.02 2 275 25 25 LYS HB3 H 1.95 0.02 2 276 25 25 LYS HD2 H 1.59 0.02 2 277 25 25 LYS HD3 H 1.59 0.02 2 278 25 25 LYS HE2 H 2.84 0.02 2 279 25 25 LYS HE3 H 2.84 0.02 2 280 25 25 LYS HG2 H 1.21 0.02 2 281 25 25 LYS HG3 H 1.37 0.02 2 282 25 25 LYS C C 178.0 0.2 1 283 25 25 LYS CA C 59.1 0.2 1 284 25 25 LYS CB C 31.8 0.2 1 285 25 25 LYS CD C 29.3 0.2 1 286 25 25 LYS CE C 42.1 0.2 1 287 25 25 LYS CG C 24.8 0.2 1 288 25 25 LYS N N 122.2 0.2 1 289 26 26 HIS H H 7.23 0.02 1 290 26 26 HIS HA H 4.54 0.02 1 291 26 26 HIS HB2 H 2.71 0.02 2 292 26 26 HIS HB3 H 3.46 0.02 2 293 26 26 HIS HD2 H 7.71 0.02 1 294 26 26 HIS C C 172.7 0.2 1 295 26 26 HIS CA C 55.9 0.2 1 296 26 26 HIS CB C 29.4 0.2 1 297 26 26 HIS CD2 C 121.7 0.2 1 298 26 26 HIS N N 113.8 0.2 1 299 27 27 ALA H H 8.21 0.02 1 300 27 27 ALA HA H 4.06 0.02 1 301 27 27 ALA HB H 1.36 0.02 1 302 27 27 ALA C C 177.1 0.2 1 303 27 27 ALA CA C 52.3 0.2 1 304 27 27 ALA CB C 16.5 0.2 1 305 27 27 ALA N N 124.3 0.2 1 306 28 28 ALA H H 7.70 0.02 1 307 28 28 ALA HA H 4.09 0.02 1 308 28 28 ALA HB H 1.19 0.02 1 309 28 28 ALA C C 178.1 0.2 1 310 28 28 ALA CA C 53.6 0.2 1 311 28 28 ALA CB C 19.8 0.2 1 312 28 28 ALA N N 119.3 0.2 1 313 29 29 SER H H 8.34 0.02 1 314 29 29 SER HA H 4.78 0.02 1 315 29 29 SER HB2 H 4.56 0.02 2 316 29 29 SER HB3 H 4.22 0.02 2 317 29 29 SER CA C 56.4 0.2 1 318 29 29 SER CB C 62.9 0.2 1 319 29 29 SER N N 120.2 0.2 1 320 30 30 PRO HA H 4.03 0.02 1 321 30 30 PRO HB2 H 1.88 0.02 2 322 30 30 PRO HB3 H 1.95 0.02 2 323 30 30 PRO HD2 H 4.03 0.02 2 324 30 30 PRO HD3 H 3.98 0.02 2 325 30 30 PRO HG2 H 1.78 0.02 2 326 30 30 PRO HG3 H 2.32 0.02 2 327 30 30 PRO C C 177.6 0.2 1 328 30 30 PRO CA C 66.5 0.2 1 329 30 30 PRO CB C 31.5 0.2 1 330 30 30 PRO CD C 50.7 0.2 1 331 30 30 PRO CG C 28.6 0.2 1 332 31 31 GLU H H 8.90 0.02 1 333 31 31 GLU HA H 3.88 0.02 1 334 31 31 GLU HB2 H 1.94 0.02 2 335 31 31 GLU HB3 H 2.12 0.02 2 336 31 31 GLU HG2 H 2.28 0.02 2 337 31 31 GLU HG3 H 2.44 0.02 2 338 31 31 GLU C C 179.5 0.2 1 339 31 31 GLU CA C 60.6 0.2 1 340 31 31 GLU CB C 29.0 0.2 1 341 31 31 GLU CG C 37.0 0.2 1 342 31 31 GLU N N 116.1 0.2 1 343 32 32 LEU H H 8.01 0.02 1 344 32 32 LEU HA H 4.03 0.02 1 345 32 32 LEU HB2 H 1.41 0.02 2 346 32 32 LEU HB3 H 1.71 0.02 2 347 32 32 LEU HD1 H 0.71 0.02 2 348 32 32 LEU HD2 H 0.69 0.02 2 349 32 32 LEU HG H 1.34 0.02 1 350 32 32 LEU C C 178.4 0.2 1 351 32 32 LEU CA C 57.6 0.2 1 352 32 32 LEU CB C 41.1 0.2 1 353 32 32 LEU CD1 C 23.9 0.02 2 354 32 32 LEU CD2 C 25.6 0.02 2 355 32 32 LEU CG C 27.2 0.2 1 356 32 32 LEU N N 122.4 0.2 1 357 33 33 THR H H 8.48 0.02 1 358 33 33 THR HA H 3.48 0.02 1 359 33 33 THR HB H 4.26 0.02 1 360 33 33 THR HG2 H 0.98 0.02 1 361 33 33 THR C C 175.9 0.2 1 362 33 33 THR CA C 68.2 0.2 1 363 33 33 THR CB C 67.9 0.2 1 364 33 33 THR CG2 C 22.2 0.2 1 365 33 33 THR N N 116.1 0.2 1 366 34 34 LEU H H 8.09 0.02 1 367 34 34 LEU HA H 3.94 0.02 1 368 34 34 LEU HB2 H 1.65 0.02 2 369 34 34 LEU HB3 H 1.78 0.02 2 370 34 34 LEU HD1 H 0.55 0.02 2 371 34 34 LEU HD2 H 0.51 0.02 2 372 34 34 LEU HG H 1.64 0.02 1 373 34 34 LEU C C 179.0 0.2 1 374 34 34 LEU CA C 58.3 0.2 1 375 34 34 LEU CB C 41.5 0.2 1 376 34 34 LEU CD1 C 24.9 0.02 2 377 34 34 LEU CD2 C 23.7 0.02 2 378 34 34 LEU CG C 27.0 0.2 1 379 34 34 LEU N N 120.4 0.2 1 380 35 35 MET H H 7.88 0.02 1 381 35 35 MET HA H 4.17 0.02 1 382 35 35 MET HB2 H 2.19 0.02 2 383 35 35 MET HB3 H 2.29 0.02 2 384 35 35 MET HE H 2.02 0.02 1 385 35 35 MET HG2 H 2.45 0.02 2 386 35 35 MET HG3 H 2.66 0.02 2 387 35 35 MET C C 179.4 0.2 1 388 35 35 MET CA C 59.2 0.2 1 389 35 35 MET CB C 32.5 0.2 1 390 35 35 MET CE C 17.2 0.2 1 391 35 35 MET CG C 31.9 0.2 1 392 35 35 MET N N 120.5 0.2 1 393 36 36 ILE H H 8.53 0.02 1 394 36 36 ILE HA H 3.66 0.02 1 395 36 36 ILE HB H 2.25 0.02 1 396 36 36 ILE HD1 H 0.67 0.02 1 397 36 36 ILE HG12 H 1.44 0.02 2 398 36 36 ILE HG13 H 1.49 0.02 2 399 36 36 ILE HG2 H 0.82 0.02 1 400 36 36 ILE C C 177.3 0.2 1 401 36 36 ILE CA C 63.9 0.2 1 402 36 36 ILE CB C 36.2 0.2 1 403 36 36 ILE CD1 C 12.5 0.2 1 404 36 36 ILE CG1 C 28.2 0.2 1 405 36 36 ILE CG2 C 16.7 0.2 1 406 36 36 ILE N N 120.9 0.2 1 407 37 37 ALA H H 8.51 0.02 1 408 37 37 ALA HA H 3.95 0.02 1 409 37 37 ALA HB H 1.69 0.02 1 410 37 37 ALA C C 179.5 0.2 1 411 37 37 ALA CA C 56.1 0.2 1 412 37 37 ALA CB C 17.6 0.2 1 413 37 37 ALA N N 121.8 0.2 1 414 38 38 GLY H H 8.72 0.02 1 415 38 38 GLY HA2 H 3.54 0.02 2 416 38 38 GLY HA3 H 3.85 0.02 2 417 38 38 GLY C C 175.1 0.2 1 418 38 38 GLY CA C 47.8 0.2 1 419 38 38 GLY N N 103.2 0.2 1 420 39 39 ASN H H 8.34 0.02 1 421 39 39 ASN HA H 4.30 0.02 1 422 39 39 ASN HB2 H 2.59 0.02 2 423 39 39 ASN HB3 H 2.83 0.02 2 424 39 39 ASN HD21 H 7.08 0.02 1 425 39 39 ASN HD22 H 7.00 0.02 1 426 39 39 ASN C C 174.4 0.2 1 427 39 39 ASN CA C 56.7 0.2 1 428 39 39 ASN CB C 39.8 0.2 1 429 39 39 ASN N N 121.5 0.2 1 430 39 39 ASN ND2 N 110.3 0.2 1 431 40 40 ILE H H 8.46 0.02 1 432 40 40 ILE HA H 3.63 0.02 1 433 40 40 ILE HB H 1.87 0.02 1 434 40 40 ILE HD1 H 0.67 0.02 1 435 40 40 ILE HG12 H 1.02 0.02 2 436 40 40 ILE HG13 H 1.80 0.02 2 437 40 40 ILE HG2 H 0.70 0.02 1 438 40 40 ILE C C 178.2 0.2 1 439 40 40 ILE CA C 65.0 0.2 1 440 40 40 ILE CB C 38.0 0.2 1 441 40 40 ILE CD1 C 13.7 0.2 1 442 40 40 ILE CG1 C 28.1 0.2 1 443 40 40 ILE CG2 C 17.9 0.2 1 444 40 40 ILE N N 119.5 0.2 1 445 41 41 ALA H H 7.70 0.02 1 446 41 41 ALA HA H 3.67 0.02 1 447 41 41 ALA HB H 0.96 0.02 1 448 41 41 ALA C C 178.1 0.2 1 449 41 41 ALA CA C 55.3 0.2 1 450 41 41 ALA CB C 17.8 0.2 1 451 41 41 ALA N N 120.8 0.2 1 452 42 42 THR H H 8.85 0.02 1 453 42 42 THR HA H 3.31 0.02 1 454 42 42 THR HB H 3.94 0.02 1 455 42 42 THR HG2 H 1.11 0.02 1 456 42 42 THR C C 175.4 0.2 1 457 42 42 THR CA C 68.1 0.2 1 458 42 42 THR CB C 69.0 0.2 1 459 42 42 THR CG2 C 21.7 0.2 1 460 42 42 THR N N 115.4 0.2 1 461 43 43 ASN H H 7.99 0.02 1 462 43 43 ASN HA H 4.37 0.02 1 463 43 43 ASN HB2 H 2.65 0.02 2 464 43 43 ASN HB3 H 2.88 0.02 2 465 43 43 ASN HD21 H 7.58 0.02 1 466 43 43 ASN HD22 H 6.89 0.02 1 467 43 43 ASN C C 177.6 0.2 1 468 43 43 ASN CA C 56.6 0.2 1 469 43 43 ASN CB C 37.7 0.2 1 470 43 43 ASN N N 117.9 0.2 1 471 43 43 ASN ND2 N 111.6 0.2 1 472 44 44 VAL H H 7.95 0.02 1 473 44 44 VAL HA H 3.67 0.02 1 474 44 44 VAL HB H 2.04 0.02 1 475 44 44 VAL HG1 H 0.89 0.02 2 476 44 44 VAL HG2 H 1.03 0.02 2 477 44 44 VAL C C 178.0 0.2 1 478 44 44 VAL CA C 66.3 0.2 1 479 44 44 VAL CB C 31.4 0.2 1 480 44 44 VAL CG1 C 22.2 0.02 2 481 44 44 VAL CG2 C 24.0 0.02 2 482 44 44 VAL N N 119.4 0.2 1 483 45 45 LEU H H 8.07 0.02 1 484 45 45 LEU HA H 3.78 0.02 1 485 45 45 LEU HB2 H 0.99 0.02 2 486 45 45 LEU HB3 H 1.83 0.02 2 487 45 45 LEU HD1 H 0.59 0.02 2 488 45 45 LEU HD2 H 0.82 0.02 2 489 45 45 LEU HG H 1.57 0.02 1 490 45 45 LEU C C 177.8 0.2 1 491 45 45 LEU CA C 58.2 0.2 1 492 45 45 LEU CB C 41.9 0.2 1 493 45 45 LEU CD1 C 25.8 0.02 2 494 45 45 LEU CD2 C 24.0 0.02 2 495 45 45 LEU CG C 28.0 0.2 1 496 45 45 LEU N N 120.6 0.2 1 497 46 46 ASN H H 8.32 0.02 1 498 46 46 ASN HA H 4.64 0.02 1 499 46 46 ASN HB2 H 2.66 0.02 2 500 46 46 ASN HB3 H 2.88 0.02 2 501 46 46 ASN HD21 H 7.29 0.02 2 502 46 46 ASN HD22 H 6.85 0.02 2 503 46 46 ASN C C 177.5 0.2 1 504 46 46 ASN CA C 54.7 0.2 1 505 46 46 ASN CB C 38.6 0.2 1 506 46 46 ASN N N 112.6 0.2 1 507 46 46 ASN ND2 N 109.1 0.2 1 508 47 47 GLN H H 8.15 0.02 1 509 47 47 GLN HA H 4.50 0.02 1 510 47 47 GLN HB2 H 2.06 0.02 2 511 47 47 GLN HB3 H 2.15 0.02 2 512 47 47 GLN HE21 H 7.47 0.02 1 513 47 47 GLN HE22 H 6.77 0.02 1 514 47 47 GLN HG2 H 2.34 0.02 2 515 47 47 GLN HG3 H 2.47 0.02 2 516 47 47 GLN C C 178.2 0.2 1 517 47 47 GLN CA C 57.1 0.2 1 518 47 47 GLN CB C 30.2 0.2 1 519 47 47 GLN CG C 34.1 0.2 1 520 47 47 GLN N N 114.0 0.2 1 521 47 47 GLN NE2 N 111.2 0.2 1 522 48 48 ARG H H 8.31 0.02 1 523 48 48 ARG HA H 4.70 0.02 1 524 48 48 ARG HB2 H 1.88 0.02 2 525 48 48 ARG HB3 H 2.16 0.02 2 526 48 48 ARG HD2 H 3.07 0.02 2 527 48 48 ARG HD3 H 3.25 0.02 2 528 48 48 ARG HE H 7.49 0.02 1 529 48 48 ARG HG2 H 1.58 0.02 2 530 48 48 ARG HG3 H 1.71 0.02 2 531 48 48 ARG HH11 H 6.87 0.02 2 532 48 48 ARG HH12 H 6.87 0.02 2 533 48 48 ARG HH21 H 6.73 0.02 2 534 48 48 ARG HH22 H 6.73 0.02 2 535 48 48 ARG C C 175.1 0.2 1 536 48 48 ARG CA C 55.3 0.2 1 537 48 48 ARG CB C 31.9 0.2 1 538 48 48 ARG CD C 43.4 0.2 1 539 48 48 ARG CG C 26.6 0.2 1 540 48 48 ARG N N 114.5 0.2 1 541 48 48 ARG NE N 84.8 0.2 1 542 49 49 VAL H H 7.04 0.02 1 543 49 49 VAL HA H 4.17 0.02 1 544 49 49 VAL HB H 2.56 0.02 1 545 49 49 VAL HG1 H 1.01 0.02 2 546 49 49 VAL HG2 H 0.88 0.02 2 547 49 49 VAL C C 174.4 0.2 1 548 49 49 VAL CA C 61.3 0.2 1 549 49 49 VAL CB C 32.9 0.2 1 550 49 49 VAL CG1 C 21.7 0.02 2 551 49 49 VAL CG2 C 21.7 0.02 2 552 49 49 VAL N N 119.9 0.2 1 553 50 50 ALA H H 8.66 0.02 1 554 50 50 ALA HA H 4.15 0.02 1 555 50 50 ALA HB H 1.44 0.02 1 556 50 50 ALA C C 179.2 0.2 1 557 50 50 ALA CA C 52.7 0.2 1 558 50 50 ALA CB C 18.8 0.2 1 559 50 50 ALA N N 130.1 0.2 1 560 51 51 ALA H H 8.96 0.02 1 561 51 51 ALA HA H 3.80 0.02 1 562 51 51 ALA HB H 1.49 0.02 1 563 51 51 ALA C C 179.7 0.2 1 564 51 51 ALA CA C 56.0 0.2 1 565 51 51 ALA CB C 18.5 0.2 1 566 51 51 ALA N N 125.6 0.2 1 567 52 52 SER H H 8.56 0.02 1 568 52 52 SER HA H 4.22 0.02 1 569 52 52 SER HB2 H 3.95 0.02 2 570 52 52 SER HB3 H 4.00 0.02 2 571 52 52 SER C C 175.5 0.2 1 572 52 52 SER CA C 60.4 0.2 1 573 52 52 SER CB C 62.5 0.2 1 574 52 52 SER N N 110.2 0.2 1 575 53 53 GLN H H 7.67 0.02 1 576 53 53 GLN HA H 4.61 0.02 1 577 53 53 GLN HB2 H 1.84 0.02 2 578 53 53 GLN HB3 H 2.31 0.02 2 579 53 53 GLN HE21 H 7.41 0.02 1 580 53 53 GLN HE22 H 6.83 0.02 1 581 53 53 GLN HG2 H 2.32 0.02 2 582 53 53 GLN HG3 H 2.32 0.02 2 583 53 53 GLN C C 176.0 0.2 1 584 53 53 GLN CA C 55.3 0.2 1 585 53 53 GLN CB C 30.9 0.2 1 586 53 53 GLN CG C 33.7 0.2 1 587 53 53 GLN N N 118.5 0.2 1 588 53 53 GLN NE2 N 112.4 0.2 1 589 54 54 ARG H H 7.35 0.02 1 590 54 54 ARG HA H 3.64 0.02 1 591 54 54 ARG HB2 H 1.75 0.02 2 592 54 54 ARG HB3 H 1.90 0.02 2 593 54 54 ARG HD2 H 3.29 0.02 2 594 54 54 ARG HD3 H 3.37 0.02 2 595 54 54 ARG HE H 6.93 0.02 1 596 54 54 ARG HG2 H 1.59 0.02 2 597 54 54 ARG HG3 H 1.65 0.02 2 598 54 54 ARG HH11 H 6.64 0.02 2 599 54 54 ARG HH12 H 6.64 0.02 2 600 54 54 ARG HH21 H 7.17 0.02 2 601 54 54 ARG HH22 H 7.17 0.02 2 602 54 54 ARG C C 176.5 0.2 1 603 54 54 ARG CA C 61.4 0.2 1 604 54 54 ARG CB C 31.2 0.2 1 605 54 54 ARG CD C 43.5 0.2 1 606 54 54 ARG CG C 28.1 0.2 1 607 54 54 ARG N N 119.9 0.2 1 608 54 54 ARG NE N 86.0 0.2 1 609 55 55 LYS H H 8.60 0.02 1 610 55 55 LYS HA H 3.82 0.02 1 611 55 55 LYS HB2 H 1.75 0.02 2 612 55 55 LYS HB3 H 1.75 0.02 2 613 55 55 LYS HD2 H 1.66 0.02 2 614 55 55 LYS HD3 H 1.66 0.02 2 615 55 55 LYS HE2 H 2.93 0.02 2 616 55 55 LYS HE3 H 2.93 0.02 2 617 55 55 LYS HG2 H 1.34 0.02 2 618 55 55 LYS HG3 H 1.39 0.02 2 619 55 55 LYS C C 177.8 0.2 1 620 55 55 LYS CA C 60.2 0.2 1 621 55 55 LYS CB C 32.0 0.2 1 622 55 55 LYS CD C 29.2 0.2 1 623 55 55 LYS CE C 42.0 0.2 1 624 55 55 LYS CG C 25.4 0.2 1 625 55 55 LYS N N 118.1 0.2 1 626 56 56 LEU H H 7.74 0.02 1 627 56 56 LEU HA H 4.14 0.02 1 628 56 56 LEU HB2 H 1.68 0.02 2 629 56 56 LEU HB3 H 1.72 0.02 2 630 56 56 LEU HD1 H 0.96 0.02 2 631 56 56 LEU HD2 H 0.91 0.02 2 632 56 56 LEU HG H 1.65 0.02 1 633 56 56 LEU C C 180.0 0.2 1 634 56 56 LEU CA C 58.0 0.2 1 635 56 56 LEU CB C 41.8 0.2 1 636 56 56 LEU CD1 C 24.7 0.02 2 637 56 56 LEU CD2 C 24.6 0.02 2 638 56 56 LEU CG C 27.0 0.2 1 639 56 56 LEU N N 119.6 0.2 1 640 57 57 ILE H H 8.15 0.02 1 641 57 57 ILE HA H 3.69 0.02 1 642 57 57 ILE HB H 1.79 0.02 1 643 57 57 ILE HD1 H 0.79 0.02 1 644 57 57 ILE HG12 H 1.39 0.02 2 645 57 57 ILE HG13 H 1.64 0.02 2 646 57 57 ILE HG2 H 0.84 0.02 1 647 57 57 ILE C C 179.0 0.2 1 648 57 57 ILE CA C 64.1 0.2 1 649 57 57 ILE CB C 36.6 0.2 1 650 57 57 ILE CD1 C 11.7 0.2 1 651 57 57 ILE CG1 C 28.7 0.2 1 652 57 57 ILE CG2 C 18.5 0.2 1 653 57 57 ILE N N 119.3 0.2 1 654 58 58 ALA H H 8.50 0.02 1 655 58 58 ALA HA H 3.91 0.02 1 656 58 58 ALA HB H 1.51 0.02 1 657 58 58 ALA C C 179.1 0.2 1 658 58 58 ALA CA C 55.7 0.2 1 659 58 58 ALA CB C 19.9 0.2 1 660 58 58 ALA N N 124.2 0.2 1 661 59 59 GLU H H 8.66 0.02 1 662 59 59 GLU HA H 4.02 0.02 1 663 59 59 GLU HB2 H 2.04 0.02 2 664 59 59 GLU HB3 H 2.28 0.02 2 665 59 59 GLU HG2 H 2.26 0.02 2 666 59 59 GLU HG3 H 2.56 0.02 2 667 59 59 GLU C C 179.8 0.2 1 668 59 59 GLU CA C 59.9 0.2 1 669 59 59 GLU CB C 29.2 0.2 1 670 59 59 GLU CG C 36.6 0.2 1 671 59 59 GLU N N 118.4 0.2 1 672 60 60 LYS H H 8.13 0.02 1 673 60 60 LYS HA H 4.06 0.02 1 674 60 60 LYS HB2 H 1.95 0.02 2 675 60 60 LYS HB3 H 2.00 0.02 2 676 60 60 LYS HD2 H 1.67 0.02 2 677 60 60 LYS HD3 H 1.67 0.02 2 678 60 60 LYS HE2 H 2.96 0.02 2 679 60 60 LYS HE3 H 2.96 0.02 2 680 60 60 LYS HG2 H 1.50 0.02 2 681 60 60 LYS HG3 H 1.67 0.02 2 682 60 60 LYS C C 179.4 0.2 1 683 60 60 LYS CA C 59.7 0.2 1 684 60 60 LYS CB C 32.2 0.2 1 685 60 60 LYS CD C 29.1 0.2 1 686 60 60 LYS CE C 42.0 0.2 1 687 60 60 LYS CG C 25.3 0.2 1 688 60 60 LYS N N 120.7 0.2 1 689 61 61 PHE H H 8.46 0.02 1 690 61 61 PHE HA H 4.20 0.02 1 691 61 61 PHE HB2 H 3.15 0.02 2 692 61 61 PHE HB3 H 3.57 0.02 2 693 61 61 PHE HD1 H 7.11 0.02 3 694 61 61 PHE HD2 H 7.11 0.02 3 695 61 61 PHE HE1 H 7.38 0.02 3 696 61 61 PHE HE2 H 7.38 0.02 3 697 61 61 PHE HZ H 6.86 0.02 1 698 61 61 PHE C C 177.8 0.2 1 699 61 61 PHE CA C 61.1 0.2 1 700 61 61 PHE CB C 38.9 0.2 1 701 61 61 PHE CD1 C 132.3 0.02 3 702 61 61 PHE CD2 C 132.3 0.02 3 703 61 61 PHE CE1 C 131.0 0.02 3 704 61 61 PHE CE2 C 131.0 0.02 3 705 61 61 PHE CZ C 127.8 0.2 1 706 61 61 PHE N N 123.0 0.2 1 707 62 62 ALA H H 8.83 0.02 1 708 62 62 ALA HA H 3.86 0.02 1 709 62 62 ALA HB H 1.58 0.02 1 710 62 62 ALA C C 179.0 0.2 1 711 62 62 ALA CA C 55.5 0.2 1 712 62 62 ALA CB C 17.9 0.2 1 713 62 62 ALA N N 123.4 0.2 1 714 63 63 GLN H H 8.41 0.02 1 715 63 63 GLN HA H 3.96 0.02 1 716 63 63 GLN HB2 H 2.08 0.02 2 717 63 63 GLN HB3 H 2.16 0.02 2 718 63 63 GLN HE21 H 7.49 0.02 1 719 63 63 GLN HE22 H 6.84 0.02 1 720 63 63 GLN HG2 H 2.39 0.02 2 721 63 63 GLN HG3 H 2.52 0.02 2 722 63 63 GLN C C 179.1 0.2 1 723 63 63 GLN CA C 58.8 0.2 1 724 63 63 GLN CB C 28.1 0.2 1 725 63 63 GLN CG C 33.8 0.2 1 726 63 63 GLN N N 117.8 0.2 1 727 63 63 GLN NE2 N 111.8 0.2 1 728 64 64 ALA H H 8.12 0.02 1 729 64 64 ALA HA H 4.01 0.02 1 730 64 64 ALA HB H 1.37 0.02 1 731 64 64 ALA C C 180.4 0.2 1 732 64 64 ALA CA C 54.8 0.2 1 733 64 64 ALA CB C 17.4 0.2 1 734 64 64 ALA N N 123.3 0.2 1 735 65 65 LEU H H 7.73 0.02 1 736 65 65 LEU HA H 3.87 0.02 1 737 65 65 LEU HB2 H 1.10 0.02 2 738 65 65 LEU HB3 H 1.87 0.02 2 739 65 65 LEU HD1 H 0.56 0.02 2 740 65 65 LEU HD2 H 0.68 0.02 2 741 65 65 LEU HG H 1.27 0.02 1 742 65 65 LEU C C 180.3 0.2 1 743 65 65 LEU CA C 57.6 0.2 1 744 65 65 LEU CB C 41.4 0.2 1 745 65 65 LEU CD1 C 24.4 0.02 2 746 65 65 LEU CD2 C 26.5 0.02 2 747 65 65 LEU CG C 27.0 0.2 1 748 65 65 LEU N N 120.5 0.2 1 749 66 66 MET H H 8.22 0.02 1 750 66 66 MET HA H 4.14 0.02 1 751 66 66 MET HB2 H 2.05 0.02 2 752 66 66 MET HB3 H 2.18 0.02 2 753 66 66 MET HE H 2.03 0.02 1 754 66 66 MET HG2 H 2.76 0.02 2 755 66 66 MET HG3 H 2.86 0.02 2 756 66 66 MET C C 180.1 0.2 1 757 66 66 MET CA C 57.2 0.2 1 758 66 66 MET CB C 29.7 0.2 1 759 66 66 MET CE C 16.5 0.2 1 760 66 66 MET CG C 32.0 0.2 1 761 66 66 MET N N 117.1 0.2 1 762 67 67 SER H H 8.24 0.02 1 763 67 67 SER HA H 4.27 0.02 1 764 67 67 SER HB2 H 3.93 0.02 2 765 67 67 SER HB3 H 3.93 0.02 2 766 67 67 SER C C 175.1 0.2 1 767 67 67 SER CA C 61.0 0.2 1 768 67 67 SER CB C 63.1 0.2 1 769 67 67 SER N N 114.5 0.2 1 770 68 68 SER H H 7.67 0.02 1 771 68 68 SER HA H 4.36 0.02 1 772 68 68 SER HB2 H 3.91 0.02 2 773 68 68 SER HB3 H 3.91 0.02 2 774 68 68 SER C C 174.5 0.2 1 775 68 68 SER CA C 59.4 0.2 1 776 68 68 SER CB C 63.4 0.2 1 777 68 68 SER N N 116.4 0.2 1 778 69 69 LEU H H 7.07 0.02 1 779 69 69 LEU HA H 4.54 0.02 1 780 69 69 LEU HB2 H 1.27 0.02 2 781 69 69 LEU HB3 H 1.80 0.02 2 782 69 69 LEU HD1 H 0.79 0.02 2 783 69 69 LEU HD2 H 0.63 0.02 2 784 69 69 LEU HG H 2.07 0.02 1 785 69 69 LEU C C 177.5 0.2 1 786 69 69 LEU CA C 54.8 0.2 1 787 69 69 LEU CB C 41.9 0.2 1 788 69 69 LEU CD1 C 26.1 0.02 2 789 69 69 LEU CD2 C 23.2 0.02 2 790 69 69 LEU CG C 26.0 0.2 1 791 69 69 LEU N N 121.2 0.2 1 792 70 70 GLU H H 8.65 0.02 1 793 70 70 GLU HA H 4.36 0.02 1 794 70 70 GLU HB2 H 1.81 0.02 2 795 70 70 GLU HB3 H 1.92 0.02 2 796 70 70 GLU HG2 H 2.18 0.02 2 797 70 70 GLU HG3 H 2.26 0.02 2 798 70 70 GLU C C 176.5 0.2 1 799 70 70 GLU CA C 56.0 0.2 1 800 70 70 GLU CB C 30.1 0.2 1 801 70 70 GLU CG C 36.0 0.2 1 802 70 70 GLU N N 123.2 0.2 1 803 71 71 THR H H 8.33 0.02 1 804 71 71 THR HA H 4.68 0.02 1 805 71 71 THR HB H 4.26 0.02 1 806 71 71 THR HG2 H 1.18 0.02 1 807 71 71 THR CA C 59.4 0.2 1 808 71 71 THR CB C 69.5 0.2 1 809 71 71 THR CG2 C 22.0 0.2 1 810 71 71 THR N N 118.2 0.2 1 811 72 72 PRO HA H 4.39 0.02 1 812 72 72 PRO HB2 H 1.86 0.02 2 813 72 72 PRO HB3 H 2.30 0.02 2 814 72 72 PRO HD2 H 3.71 0.02 2 815 72 72 PRO HD3 H 3.77 0.02 2 816 72 72 PRO HG2 H 1.91 0.02 2 817 72 72 PRO HG3 H 2.04 0.02 2 818 72 72 PRO C C 177.1 0.2 1 819 72 72 PRO CA C 63.6 0.2 1 820 72 72 PRO CB C 32.1 0.2 1 821 72 72 PRO CD C 51.0 0.2 1 822 72 72 PRO CG C 27.6 0.2 1 823 73 73 LYS H H 8.43 0.02 1 824 73 73 LYS HA H 4.32 0.02 1 825 73 73 LYS HB2 H 1.72 0.02 2 826 73 73 LYS HB3 H 1.81 0.02 2 827 73 73 LYS HD2 H 1.65 0.02 2 828 73 73 LYS HD3 H 1.65 0.02 2 829 73 73 LYS HE2 H 2.98 0.02 2 830 73 73 LYS HE3 H 2.98 0.02 2 831 73 73 LYS HG2 H 1.41 0.02 2 832 73 73 LYS HG3 H 1.46 0.02 2 833 73 73 LYS C C 177.0 0.2 1 834 73 73 LYS CA C 56.3 0.2 1 835 73 73 LYS CB C 33.0 0.2 1 836 73 73 LYS CD C 28.9 0.2 1 837 73 73 LYS CE C 42.1 0.2 1 838 73 73 LYS CG C 24.8 0.2 1 839 73 73 LYS N N 121.0 0.2 1 840 74 74 THR H H 8.04 0.02 1 841 74 74 THR HA H 4.24 0.02 1 842 74 74 THR HB H 4.13 0.02 1 843 74 74 THR HG2 H 1.13 0.02 1 844 74 74 THR C C 174.3 0.2 1 845 74 74 THR CA C 61.9 0.2 1 846 74 74 THR CB C 69.8 0.2 1 847 74 74 THR CG2 C 21.6 0.2 1 848 74 74 THR N N 114.5 0.2 1 849 75 75 HIS H H 8.51 0.02 1 850 75 75 HIS HA H 4.65 0.02 1 851 75 75 HIS HB2 H 3.11 0.02 2 852 75 75 HIS HB3 H 3.20 0.02 2 853 75 75 HIS C C 174.3 0.2 1 854 75 75 HIS CA C 55.6 0.2 1 855 75 75 HIS CB C 29.2 0.2 1 856 75 75 HIS N N 120.8 0.2 1 857 76 76 LEU H H 8.25 0.02 1 858 76 76 LEU HA H 4.24 0.02 1 859 76 76 LEU HB2 H 1.43 0.02 2 860 76 76 LEU HB3 H 1.51 0.02 2 861 76 76 LEU HD1 H 0.84 0.02 2 862 76 76 LEU HD2 H 0.78 0.02 2 863 76 76 LEU HG H 1.44 0.02 1 864 76 76 LEU C C 177.0 0.2 1 865 76 76 LEU CA C 55.1 0.2 1 866 76 76 LEU CB C 42.4 0.2 1 867 76 76 LEU CD1 C 24.8 0.02 2 868 76 76 LEU CD2 C 23.4 0.02 2 869 76 76 LEU CG C 26.8 0.2 1 870 76 76 LEU N N 123.7 0.2 1 871 77 77 GLU H H 8.39 0.02 1 872 77 77 GLU HA H 4.17 0.02 1 873 77 77 GLU HB2 H 1.84 0.02 2 874 77 77 GLU HB3 H 1.84 0.02 2 875 77 77 GLU HG2 H 2.13 0.02 2 876 77 77 GLU HG3 H 2.19 0.02 2 877 77 77 GLU CA C 56.3 0.2 1 878 77 77 GLU CB C 30.3 0.2 1 879 77 77 GLU CG C 36.0 0.2 1 880 77 77 GLU N N 121.8 0.2 1 881 78 78 HIS H H 8.47 0.02 1 882 78 78 HIS HA H 4.59 0.02 1 883 78 78 HIS HB2 H 3.03 0.02 2 884 78 78 HIS HB3 H 3.12 0.02 2 885 78 78 HIS C C 173.6 0.2 1 886 78 78 HIS CA C 55.5 0.2 1 887 78 78 HIS CB C 29.4 0.2 1 888 78 78 HIS N N 119.7 0.2 1 889 79 79 HIS H H 8.34 0.02 1 890 79 79 HIS HA H 4.42 0.02 1 891 79 79 HIS HB2 H 3.08 0.02 2 892 79 79 HIS HB3 H 3.19 0.02 2 893 79 79 HIS C C 174.3 0.2 1 894 79 79 HIS CA C 57.1 0.2 1 895 79 79 HIS CB C 29.7 0.2 1 896 79 79 HIS N N 125.5 0.2 1 897 80 80 HIS H H 8.62 0.02 1 898 80 80 HIS C C 174.3 0.2 1 899 80 80 HIS CA C 55.6 0.2 1 900 80 80 HIS CB C 29.6 0.2 1 901 80 80 HIS N N 120.6 0.2 1 902 81 81 HIS H H 8.58 0.02 1 903 81 81 HIS N N 120.2 0.2 1 stop_ save_ save_spectral_peak_list_1 _Saveframe_category spectral_peak_list loop_ _Software_label $VNMR stop_ _Experiment_label "3D 1H-15N NOESY" _Number_of_spectral_dimensions ? loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 N N 2 H H 3 H HN stop_ _Sample_label $NC_sample _Sample_conditions_label $sample_conditions_1 _Text_data ; w1 w2 w3 Data Height 121.235 1.538 7.066 339019 116.108 4.398 8.894 316401 116.069 4.391 8.471 4587225 118.374 0.617 8.650 342054 120.606 7.749 8.119 445816 125.549 7.178 8.960 506069 131.683 2.290 8.710 341571 118.616 0.909 8.381 638491 120.634 4.570 8.727 395759 123.067 2.858 8.328 423006 116.376 2.087 7.668 920426 114.451 0.831 8.240 362269 114.487 1.714 8.236 291146 119.430 7.530 8.526 484738 114.344 7.685 8.030 1192418 123.559 7.897 8.240 1053697 121.752 4.651 8.389 823993 122.288 4.232 8.389 1257870 122.100 7.549 8.388 478715 112.603 3.305 8.322 792920 120.589 3.308 8.060 697420 115.360 1.710 8.854 378335 115.330 1.592 8.852 164527 115.336 8.344 8.858 427068 122.379 4.397 8.006 692384 117.616 2.130 7.541 1170427 117.557 3.820 7.537 314430 124.296 3.835 8.207 503034 121.417 1.737 8.337 700209 121.416 7.376 8.337 343435 121.659 8.059 8.388 1579410 117.896 0.581 7.981 495864 117.882 6.885 7.979 396923 120.347 3.678 7.873 395306 120.377 3.498 7.874 374478 123.019 0.631 8.447 383182 120.963 1.218 8.429 381777 111.893 1.704 7.006 186487 111.896 2.261 7.493 489033 111.796 2.251 6.838 326316 111.590 0.808 7.575 1013946 111.579 1.069 7.577 245188 111.563 0.808 6.888 1039802 110.324 3.956 7.007 193406 110.312 2.201 7.085 373290 110.342 2.191 6.998 358755 110.308 3.950 7.086 397182 110.198 1.389 7.100 141030 114.577 0.635 6.916 314425 114.547 4.636 6.925 1354275 114.499 8.313 6.915 279838 125.554 6.643 8.960 850317 124.158 0.607 8.495 1126459 114.500 1.133 8.234 314623 116.358 1.381 7.677 304141 118.098 4.155 8.600 532459 121.882 4.040 8.600 566315 116.068 0.554 8.895 277325 112.648 1.846 8.324 1579469 113.987 1.894 8.145 773225 120.963 2.645 7.931 471366 117.603 2.418 7.541 708988 113.799 2.109 7.230 631712 116.124 0.727 8.895 353888 115.327 4.311 8.857 1393906 115.288 8.469 8.859 558522 111.185 4.397 6.771 606827 118.556 1.618 8.385 471745 111.969 4.043 7.006 168583 119.364 0.796 7.754 1177831 122.250 0.940 8.372 584591 113.814 3.640 7.229 680705 113.803 2.401 7.230 301680 116.088 1.946 8.472 444423 120.453 8.329 7.874 242417 120.927 3.494 8.527 891961 120.794 2.663 8.536 537032 121.750 3.500 8.507 759031 121.556 1.833 8.338 768136 110.310 2.026 7.084 359868 110.333 2.021 7.003 383345 110.330 2.476 7.087 483350 110.268 2.460 7.001 473295 110.300 2.626 7.002 736538 120.775 0.582 7.699 1424371 115.332 2.628 8.860 340305 119.341 0.571 7.948 1084324 112.648 2.331 8.326 360197 113.961 7.034 8.144 912544 119.841 8.148 7.037 1448175 119.892 4.510 7.036 475374 112.396 4.212 7.415 276134 118.506 4.393 8.313 4859338 111.925 7.005 7.006 37725672 111.925 7.004 7.572 34213704 111.599 7.978 7.574 652856 111.571 7.972 6.890 511524 111.583 6.887 7.575 26256064 111.585 7.577 6.891 25778368 114.513 4.708 8.304 1757366 114.531 3.371 6.923 1313429 120.964 4.325 8.427 10901984 114.341 4.240 8.033 9087970 121.685 4.172 8.389 7189555 119.641 8.201 8.570 440413 117.748 2.362 8.173 2596393 119.193 8.176 7.831 4167532 119.247 7.232 7.700 1288360 120.381 0.679 8.580 777978 120.492 1.495 8.585 1136265 117.616 7.769 7.541 1155765 118.223 7.543 7.774 572440 119.226 3.464 7.699 851375 124.301 1.229 8.209 1101940 116.119 4.798 8.899 1135912 122.425 8.348 8.004 615745 114.233 0.959 8.349 468541 121.749 8.111 8.511 392650 120.411 4.034 8.090 1761459 120.434 3.493 8.086 715048 114.532 1.506 6.926 807627 119.333 3.826 7.708 1204987 131.703 4.184 8.711 648765 120.824 2.601 7.691 287978 120.778 3.315 7.704 310989 120.459 2.850 7.721 470550 119.836 6.667 7.036 528731 110.171 4.619 8.559 417856 118.380 4.147 8.655 1696223 123.337 2.084 8.110 2948115 123.337 2.166 8.110 2839510 122.271 3.228 7.574 9437 120.630 4.428 8.722 3538044 120.623 2.007 8.721 723506 120.627 2.450 8.722 510356 120.638 8.720 8.722 40879488 120.629 4.241 8.723 1185085 120.631 1.861 8.722 2105039 120.631 1.483 8.721 947623 120.612 0.911 8.722 639069 120.608 8.327 8.719 881983 120.621 1.192 8.723 1007143 118.475 2.015 8.304 688386 118.289 1.875 8.320 3233465 118.472 1.486 8.311 301716 118.475 0.908 8.310 2042128 118.485 4.239 8.310 19669184 118.480 8.309 8.310 275963360 118.447 1.177 8.310 3607677 118.633 4.210 8.384 6239274 118.625 1.182 8.385 1667432 118.630 8.382 8.384 246209344 118.633 3.835 8.384 8152266 118.635 4.418 8.384 24107832 123.114 4.444 8.327 16296858 123.099 3.855 8.327 3624387 123.118 8.329 8.328 148859488 123.114 4.218 8.328 7551280 123.104 1.630 8.327 12884194 123.107 1.248 8.327 4088076 123.102 7.975 8.327 7165139 119.651 4.447 7.975 1269703 119.561 3.838 7.977 1210237 119.661 4.217 7.977 12855730 119.651 1.642 7.977 4181065 119.661 4.769 7.977 5234980 119.663 2.834 7.976 6908948 119.660 3.022 7.977 5145230 119.667 7.048 7.977 2714717 119.614 7.975 7.976 93984128 119.668 8.336 7.977 8441128 114.296 4.767 8.351 9540440 114.295 2.832 8.351 2401372 114.292 3.024 8.350 2713446 114.299 8.349 8.350 39354572 114.290 4.345 8.351 3283114 114.308 4.480 8.349 2480977 114.297 1.238 8.351 5468473 114.301 8.594 8.352 1819164 114.316 2.083 8.349 1539009 114.302 2.329 8.351 2610182 114.278 7.971 8.350 3129817 122.043 8.342 8.599 1683929 121.904 4.456 8.604 6344220 121.917 1.239 8.604 2105050 121.902 8.603 8.605 36690556 121.901 2.672 8.604 5882656 121.912 7.981 8.606 1057024 121.900 2.097 8.605 759861 121.904 2.324 8.604 584467 121.904 4.355 8.605 10687724 120.134 4.402 8.539 4085596 120.152 2.668 8.539 3779018 120.133 8.541 8.540 35590180 120.166 4.054 8.539 4892659 120.140 2.069 8.540 6968336 120.146 2.317 8.541 3340752 120.142 7.977 8.539 4635032 119.268 8.539 7.979 4518298 119.263 4.029 7.980 6153878 119.276 2.094 7.982 10240562 119.261 2.329 7.981 9401566 119.629 1.244 7.977 1750682 111.984 4.780 7.577 239768 111.969 4.771 7.002 266456 111.931 1.216 7.575 232154 111.938 1.223 7.014 254011 111.950 4.016 7.574 277224 111.888 2.099 7.004 297631 111.932 7.574 7.006 31245502 111.936 2.350 7.573 2321505 111.938 2.358 7.007 1689375 111.954 2.452 7.574 1878135 111.954 2.444 7.010 1158952 111.883 0.583 7.574 227518 111.993 0.712 7.008 275549 111.906 2.080 7.573 510326 119.199 2.996 7.978 417551 119.284 3.296 7.990 2627625 119.288 0.963 7.986 6490766 119.336 4.392 7.976 2190878 119.265 8.158 7.987 5330422 117.810 4.390 8.175 550677 117.723 4.052 8.178 2134990 117.730 2.066 8.178 9178775 117.712 3.298 8.176 995707 117.738 0.780 8.178 2231705 117.727 0.958 8.180 1477619 117.726 8.176 8.176 24896322 117.726 3.840 8.178 3464813 117.730 2.256 8.176 3048242 117.715 7.828 8.177 3754584 117.808 1.576 8.181 741537 117.797 8.560 8.180 681070 117.748 1.730 8.179 518917 117.730 7.990 8.177 4526175 119.242 0.774 7.827 753789 119.195 3.841 7.830 1670701 119.197 2.055 7.830 5886491 119.201 1.869 7.831 9484082 119.275 2.980 7.832 347164 119.210 4.054 7.830 6226204 119.298 1.865 7.749 3031840 119.258 9.315 7.748 1905352 119.269 0.605 7.748 2710325 119.334 4.069 7.772 4545966 119.299 3.275 7.754 3335770 119.502 7.740 7.735 29064896 119.590 8.597 7.734 5168025 119.659 9.321 8.573 418199 119.638 8.569 8.569 18382532 119.659 1.558 8.572 5220050 119.684 7.928 8.573 3209894 119.761 0.979 8.567 712246 119.667 0.657 8.573 2540461 119.676 7.748 8.571 3886303 119.674 3.282 8.574 1248392 119.703 3.810 8.574 3497801 119.678 1.699 8.574 6636878 119.690 0.794 8.573 3371873 120.994 3.269 7.931 533294 120.971 1.714 7.932 3321832 120.968 0.799 7.931 1425086 120.974 7.930 7.931 34994816 120.983 4.131 7.931 4950626 120.930 2.099 7.932 539623 120.965 2.292 7.932 955231 120.964 1.024 7.933 487714 120.964 8.572 7.932 4420863 120.963 3.812 7.931 1799292 120.976 1.514 7.932 13177819 120.989 7.776 7.932 5731841 119.320 1.504 7.764 6368981 119.338 2.122 7.775 3491792 119.363 2.296 7.774 6779107 119.363 2.641 7.775 3786161 119.364 1.037 7.773 1875638 120.334 3.802 8.578 1231420 120.412 7.773 8.578 3134607 120.416 3.525 8.579 1951159 120.386 2.176 8.580 4262585 120.404 0.854 8.580 2730285 120.411 1.019 8.577 5590610 120.473 8.695 8.582 3807147 120.412 7.543 8.577 670155 120.475 1.717 8.585 534609 121.971 3.804 8.698 943956 121.986 7.938 8.704 422587 121.982 4.130 8.701 2093303 121.975 7.775 8.698 1082280 121.969 3.523 8.701 1166150 121.983 2.179 8.700 3036836 121.982 0.856 8.700 2455142 121.981 1.016 8.699 2060719 121.975 8.702 8.701 24335052 121.975 4.001 8.700 3190743 121.983 1.504 8.700 8678626 121.980 7.542 8.701 3048986 121.982 7.395 8.701 630286 117.622 8.575 7.538 1009846 117.577 3.529 7.540 600689 117.601 8.701 7.540 3570338 117.630 3.985 7.540 1929494 117.600 1.507 7.540 5336208 117.600 7.542 7.540 32947800 117.599 4.138 7.540 4986090 117.601 1.698 7.540 5435561 117.601 1.865 7.540 7619179 117.595 0.925 7.541 2777487 117.607 7.404 7.541 5215549 117.619 3.658 7.536 437119 117.598 1.119 7.539 1382114 120.085 4.040 7.392 871060 120.088 2.114 7.389 779784 120.109 3.536 7.391 1503281 120.067 1.512 7.387 1080863 120.096 7.537 7.391 3730156 120.067 1.704 7.388 2460709 120.065 1.873 7.389 2456853 120.079 3.654 7.390 2937352 120.106 2.434 7.392 4536247 120.108 1.122 7.392 7127578 120.105 7.772 7.392 3327922 120.026 3.785 7.380 593172 120.093 0.723 7.396 528696 118.271 3.541 7.775 491905 118.238 4.003 7.775 1023638 118.259 4.139 7.769 592387 118.214 7.392 7.773 2586546 118.249 3.668 7.774 772671 118.206 2.435 7.774 2315956 118.244 1.078 7.773 1974018 118.216 7.773 7.775 10217979 118.231 3.815 7.773 1611098 118.247 1.503 7.774 2194662 118.242 1.991 7.774 2406317 118.232 0.714 7.774 1657557 118.223 1.744 7.774 3348558 118.243 8.533 7.775 2637759 118.221 0.866 7.775 2212814 119.437 7.396 8.528 705405 119.481 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122.958 8.124 8.454 2754585 122.998 4.064 8.452 1257865 122.975 1.997 8.452 2021118 122.958 1.658 8.451 787341 122.935 8.449 8.450 12540500 122.962 4.211 8.452 2687106 122.971 3.153 8.452 3081727 122.971 3.571 8.451 3127469 122.964 7.116 8.452 687932 122.977 8.823 8.452 2476230 123.020 1.547 8.452 805600 122.922 0.568 8.454 505553 123.017 1.403 8.452 397059 123.366 4.007 8.822 1715274 123.377 4.208 8.822 1293456 123.365 3.153 8.822 1564147 123.365 3.570 8.824 2306771 123.356 7.131 8.825 974934 123.364 8.824 8.823 18759692 123.366 1.585 8.823 6443088 123.335 1.880 8.827 406089 123.394 0.682 8.819 656393 123.381 2.048 8.822 976297 123.375 8.118 8.821 1081708 123.371 8.427 8.823 4971692 123.361 3.887 8.823 2970652 117.812 3.564 8.400 436595 117.789 8.823 8.404 3272353 117.838 3.855 8.405 1688310 117.786 1.585 8.405 3941727 117.813 8.411 8.408 23616074 117.788 3.977 8.405 4309248 117.792 2.136 8.405 6176242 117.795 2.406 8.405 1521393 117.778 2.529 8.405 2252818 117.790 8.113 8.405 4383444 117.780 1.381 8.404 952290 117.882 7.727 8.405 821864 111.897 4.002 6.840 293077 111.874 3.986 7.493 428807 111.809 2.058 7.495 617828 111.832 2.060 6.839 524989 111.835 7.492 7.493 95481264 111.837 7.494 6.836 52347856 111.836 6.834 7.493 67517824 111.869 6.834 6.835 105055744 111.852 2.410 7.495 1428825 111.816 2.409 6.837 918029 111.874 2.528 7.493 2142498 111.840 2.527 6.835 1213783 123.285 4.207 8.113 1198952 123.283 8.833 8.115 674565 123.282 1.566 8.115 948649 123.290 8.403 8.113 4768023 123.337 3.963 8.113 3198959 123.273 2.401 8.115 598111 123.324 2.536 8.113 513447 123.289 8.113 8.114 30567094 123.296 4.017 8.113 5575847 123.294 1.379 8.114 8572326 123.297 7.722 8.114 4023274 120.407 4.168 7.727 794224 120.448 8.126 7.723 3802776 120.504 4.016 7.724 1496284 120.450 1.374 7.724 3275292 120.458 1.121 7.724 3322119 120.411 2.171 7.725 645158 120.458 3.882 7.724 3947392 117.035 1.577 8.221 588446 117.074 7.718 8.219 2419226 117.045 1.119 8.220 1258844 117.060 1.888 8.220 2076488 117.060 0.672 8.219 748802 117.056 4.157 8.220 1892131 117.053 2.186 8.221 2432584 117.063 2.852 8.220 3169705 117.053 3.921 8.221 1939525 117.050 1.280 8.221 713595 117.046 8.221 8.221 14151224 117.065 2.060 8.221 2204490 114.484 1.369 8.234 549810 114.507 4.141 8.231 1457134 114.492 2.073 8.234 2301240 114.478 2.186 8.234 2576690 114.479 2.793 8.234 777928 114.496 4.280 8.232 4150716 114.493 7.672 8.232 4153496 114.340 1.260 8.240 323327 114.488 8.231 8.232 30737112 114.491 3.942 8.232 8588033 116.317 1.130 7.671 537299 116.355 0.649 7.670 494544 116.375 7.669 7.671 19975888 116.374 4.369 7.671 3226844 116.379 7.064 7.671 3818195 116.287 1.288 7.669 354576 116.387 1.812 7.671 442796 116.346 0.813 7.670 247216 116.371 8.229 7.671 3861084 116.371 3.926 7.671 6404219 121.166 4.156 7.069 1029119 121.203 8.231 7.067 657914 121.189 7.668 7.067 3498906 121.189 4.369 7.066 1660482 121.193 3.931 7.068 1436164 121.181 7.065 7.067 21497290 121.187 4.528 7.067 2035372 121.186 1.270 7.067 2253202 121.186 1.798 7.067 3677954 121.178 0.806 7.065 2181132 121.181 0.639 7.066 2380950 121.188 2.083 7.067 4865484 121.206 8.643 7.067 1322099 123.184 3.322 8.645 452645 123.183 7.286 8.651 893729 123.155 6.849 8.646 1402095 123.184 7.065 8.650 1259874 123.161 4.532 8.647 4894536 123.147 1.268 8.646 1057284 123.139 0.811 8.647 426932 123.173 0.643 8.646 1397573 123.161 8.645 8.645 14853448 123.153 4.373 8.648 2128474 123.166 2.248 8.648 1315758 123.159 1.824 8.646 3787578 118.155 4.365 8.324 20470650 118.145 2.227 8.322 1742130 118.139 4.696 8.323 4444698 118.133 3.756 8.325 1114473 120.950 4.390 8.427 23465980 120.944 2.306 8.428 2620748 120.970 3.737 8.425 1141222 120.951 2.022 8.425 724892 120.949 8.423 8.425 143271680 120.949 1.738 8.427 9195684 120.964 1.455 8.427 3349646 120.944 8.033 8.427 5881744 120.947 1.828 8.425 6756942 114.424 8.434 8.033 6581471 114.420 4.320 8.033 20270304 114.420 1.815 8.032 3916884 114.429 1.456 8.033 955644 114.421 8.033 8.033 200070864 114.424 4.147 8.033 5731300 114.419 1.139 8.033 3904508 120.808 8.040 8.519 2614673 120.763 1.142 8.519 894516 120.790 4.656 8.518 3015666 120.765 3.113 8.520 2743266 120.765 3.197 8.520 2498888 120.836 8.251 8.518 1473615 120.775 4.245 8.518 7914978 123.646 4.661 8.246 14670452 123.629 3.187 8.246 2262228 123.647 8.245 8.246 231648400 123.647 4.254 8.246 6030458 123.643 1.494 8.246 10937847 123.625 0.820 8.246 1102857 121.750 4.249 8.389 21525924 121.800 0.819 8.389 674090 121.748 8.388 8.389 299140800 121.765 2.181 8.390 2212740 121.726 1.846 8.388 11025149 121.757 1.450 8.389 3056620 119.674 4.175 8.465 6004652 119.670 4.589 8.467 2945295 119.665 3.035 8.467 2186978 119.665 3.118 8.468 1096606 125.449 4.612 8.340 5828166 125.447 8.339 8.340 219079360 125.441 4.432 8.336 1077123 125.451 3.202 8.341 2087677 125.380 3.088 8.344 1279438 ; save_ save_spectral_peak_list_2 _Saveframe_category spectral_peak_list loop_ _Software_label $VNMR stop_ _Experiment_label "3D 1H-13C NOESY aliph" _Number_of_spectral_dimensions ? loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 C C 2 H H 3 H HC stop_ _Sample_label $NC_sample _Sample_conditions_label $sample_conditions_1 _Text_data ; w1 w2 w3 Data Height 49.787 4.382 1.197 1099420 48.445 7.161 1.504 1230574 55.975 1.704 3.812 1194839 56.005 7.162 3.813 551766 47.959 7.121 1.587 1045789 29.461 7.123 3.029 975500 29.340 7.148 3.121 791337 29.136 7.189 3.212 563429 38.380 1.462 3.484 586864 38.089 8.032 3.315 445780 39.075 4.297 3.948 884529 56.754 8.843 4.306 917589 56.759 3.935 4.305 1867971 54.664 6.911 4.636 1240296 29.206 2.234 4.183 3450290 28.791 2.823 3.967 746974 33.871 2.120 2.530 6059619 31.845 7.829 2.457 1112200 57.181 1.532 4.156 438547 37.350 8.661 3.524 617603 52.119 8.877 0.907 391024 53.988 4.264 1.042 2134587 31.253 3.331 1.902 346553 36.440 4.371 4.046 668875 29.163 8.339 1.600 866510 29.163 8.339 1.600 866510 42.102 8.342 2.845 527944 29.479 8.586 1.613 527652 30.143 0.625 3.831 598590 31.989 0.795 1.764 933554 55.396 0.808 1.382 1104499 55.352 0.789 1.354 982017 32.023 2.434 2.015 1763171 54.615 7.569 0.821 512421 54.567 6.879 0.822 464786 28.116 8.621 4.147 1186254 56.109 1.765 0.805 6777888 57.363 7.384 1.744 341577 57.657 2.226 4.034 1273833 41.515 7.121 1.658 569826 53.742 7.930 0.523 633583 56.975 7.120 1.657 485871 54.642 8.495 0.974 400957 57.064 1.635 1.292 704730 53.130 3.819 0.643 853734 55.982 1.513 2.083 464355 53.420 0.641 0.788 16263340 46.520 2.914 2.040 3475899 46.512 8.468 2.039 1090859 53.791 0.680 0.907 4500752 52.116 1.644 0.907 6662464 55.798 8.478 0.606 813551 53.963 8.481 0.839 1416584 55.991 6.637 3.811 473138 48.465 6.637 1.503 1382003 30.111 0.796 3.830 2276886 28.774 0.974 1.397 834166 32.563 2.433 4.424 4747247 51.626 3.724 1.202 1844394 36.417 2.164 4.048 434421 54.854 3.671 0.557 1569746 53.716 3.669 0.523 3521759 31.860 4.019 2.667 452306 43.448 6.890 3.264 1006554 33.741 8.629 2.340 398377 57.130 7.727 1.649 2266688 29.718 2.060 4.060 5962136 28.116 2.089 4.148 3172935 42.432 7.961 0.674 485280 56.478 1.980 1.576 1240389 32.185 0.830 1.959 663049 32.252 0.821 2.011 617780 46.514 8.641 2.039 2645393 46.517 4.015 2.039 4766944 51.605 7.049 1.182 549756 40.366 2.099 2.717 418679 40.379 2.092 2.649 471217 32.270 8.714 4.424 1027120 51.883 8.584 1.238 2251227 56.653 2.656 4.392 6011705 29.251 4.039 2.068 4805667 28.576 0.697 3.816 4943450 47.916 2.632 1.509 1032348 29.841 2.271 4.051 6731915 54.798 4.124 0.959 4560997 53.801 8.363 0.910 450193 56.848 0.912 1.808 5805795 52.823 2.250 0.706 903219 29.102 7.703 4.135 891736 36.424 4.261 4.048 910019 38.412 2.257 3.487 945792 52.188 2.028 0.985 1544868 36.217 3.476 2.270 577481 56.707 0.786 4.305 752439 38.117 1.829 3.315 759920 31.421 0.529 2.047 2368827 52.122 0.533 0.906 10582659 53.966 0.530 1.042 3781904 28.116 3.786 1.579 1074482 34.090 2.879 2.343 438867 34.073 2.876 2.475 532689 28.116 1.469 1.675 1073290 42.044 8.614 2.948 378922 29.310 1.110 4.376 571980 53.166 1.525 0.641 3815258 32.531 4.413 2.017 753752 31.719 8.719 4.240 236923 31.504 8.299 4.407 2457401 28.202 8.391 4.447 2559374 28.202 3.864 4.449 5419080 56.711 8.614 4.396 1739942 56.711 2.707 4.391 5186256 29.333 4.537 2.726 251530 29.421 4.529 3.466 262387 38.131 3.475 4.269 539619 38.025 0.704 4.271 283711 38.131 3.475 4.269 539619 37.925 4.026 4.278 412062 37.826 4.272 4.275 1490978 38.466 4.270 3.488 195103 35.001 1.880 3.640 1670155 39.043 2.859 3.945 222490 39.029 2.617 3.948 193306 37.895 3.918 3.320 233283 38.528 4.360 2.894 177168 38.677 4.374 2.670 134675 38.532 4.622 2.894 171551 38.547 4.620 2.666 124373 28.116 3.364 1.593 563730 28.116 3.364 1.639 526935 55.499 8.503 3.877 198907 29.626 1.947 4.071 4238464 39.571 4.679 4.264 572529 55.480 8.470 4.594 708558 57.103 8.333 4.424 336174 56.176 4.162 3.814 660372 56.012 3.342 3.809 553079 56.044 1.004 3.814 230313 56.011 7.663 3.810 296748 37.919 1.697 1.888 1120860 29.601 7.936 3.844 603890 35.943 1.496 2.374 1332926 56.065 8.207 0.805 372262 32.345 0.567 1.864 537251 32.339 9.308 1.869 296905 32.278 8.146 1.867 618098 55.259 2.284 1.596 405194 55.263 2.288 1.472 427299 35.574 3.262 3.273 11808417 35.616 1.848 3.271 417597 35.575 4.056 3.276 228084 35.608 7.906 3.272 326779 37.826 1.448 1.614 1321072 37.821 1.846 1.615 382969 37.843 0.974 1.616 300746 44.451 7.218 0.556 232769 44.431 3.802 0.557 388548 44.410 4.043 0.556 349762 28.411 8.565 -0.306 124566 28.364 1.864 -0.302 188652 47.801 4.026 0.627 182445 55.040 8.566 4.146 532966 55.028 7.538 4.146 373643 29.895 7.385 4.066 225999 30.556 3.254 2.296 423963 30.412 3.255 2.118 294236 30.534 1.483 2.299 419304 30.510 1.501 2.118 460522 46.698 3.782 0.829 1151503 46.702 3.654 0.829 3098282 46.675 3.950 0.828 943452 46.693 2.835 0.832 397743 46.782 2.596 0.829 341786 46.710 8.686 0.830 606726 46.701 8.512 0.829 3907294 46.739 7.727 0.830 243714 46.674 7.898 0.831 270053 52.851 3.987 0.709 609091 55.481 8.545 3.999 583680 37.358 7.536 3.519 255067 28.116 8.372 4.146 364630 56.531 6.862 0.687 338876 54.936 7.680 1.226 312265 36.782 7.683 3.657 585416 52.931 4.046 1.063 494284 52.894 8.356 1.066 277155 52.335 8.688 1.129 397148 29.364 8.205 3.459 219577 29.415 1.182 3.457 210654 29.491 0.662 3.457 352796 53.553 1.717 4.110 404507 41.151 1.195 1.716 637960 41.050 1.191 1.434 454635 50.609 8.348 4.030 105561 50.557 8.341 3.967 145900 32.830 8.897 4.237 267150 32.818 4.536 4.226 173845 52.190 3.477 0.985 3399130 52.134 3.652 0.984 1039226 52.220 4.263 0.986 2045124 52.174 3.968 0.984 870774 36.294 3.071 3.680 391500 36.318 3.250 3.685 345250 53.297 6.769 0.963 170686 53.180 6.852 0.641 756961 53.176 7.058 0.641 1890818 53.223 7.296 0.643 489143 53.161 8.049 0.642 445261 53.193 8.312 0.642 459688 53.113 8.491 0.646 223270 53.177 8.636 0.641 1771805 52.803 7.387 0.705 275091 53.570 7.385 1.016 460056 53.723 8.835 0.525 288443 51.658 8.308 1.011 325177 29.026 6.781 1.601 257137 29.028 7.036 1.599 150687 29.145 6.765 2.118 177111 28.876 7.024 2.321 184180 28.926 7.569 2.326 202308 28.828 7.570 2.079 178376 30.568 7.863 3.876 205145 32.635 3.364 2.442 299428 53.861 7.872 0.727 512453 28.216 8.705 3.953 276466 57.182 2.946 1.646 496448 57.096 4.136 1.647 1103596 57.059 7.380 1.650 240939 57.031 3.688 1.647 528106 53.737 8.707 0.525 241274 54.708 8.710 0.561 274343 29.256 7.083 4.191 150483 29.302 7.391 4.192 160330 42.500 2.602 0.682 131895 47.749 1.689 3.555 340213 47.838 1.689 3.858 264404 47.864 0.942 3.545 383154 47.824 0.947 3.858 221170 47.711 0.557 3.868 160989 47.754 0.541 3.540 177170 39.881 1.681 2.841 322609 39.945 1.696 2.605 378278 52.153 8.464 0.909 632729 47.809 1.690 0.956 4108804 39.138 0.562 3.956 166339 43.461 3.684 3.263 533172 52.126 3.067 0.904 300759 52.165 3.263 0.903 241076 52.097 2.162 0.905 1103454 28.200 2.571 3.797 1476728 34.470 1.231 2.346 176728 34.445 1.229 2.455 318754 39.039 3.935 3.946 4698863 54.757 7.271 4.534 500243 36.029 6.838 2.271 413130 36.038 6.839 2.186 542336 36.065 7.268 2.268 389465 36.014 7.277 2.191 405294 54.806 3.270 4.630 530825 54.715 3.372 4.637 522896 38.701 6.841 2.668 329583 38.587 6.840 2.879 315596 38.613 8.139 2.679 238693 38.643 8.135 2.876 320178 38.680 1.111 2.890 161061 38.635 1.112 2.645 154796 56.496 7.454 4.386 288616 56.857 6.864 4.359 102385 56.515 6.861 4.390 253067 28.877 7.719 1.659 274504 28.678 8.889 1.797 256818 54.672 6.824 0.978 372315 52.695 3.793 4.163 490116 52.729 0.996 4.164 333371 48.951 6.818 1.435 195360 48.917 1.842 1.434 1704974 48.918 1.004 1.434 2910022 55.728 4.183 3.779 135506 48.456 3.358 1.505 304825 48.466 6.906 1.502 547012 36.974 3.262 2.644 485534 36.950 3.261 2.299 485520 36.974 0.560 2.292 406564 36.740 2.922 2.245 272046 36.808 2.926 2.557 367698 33.112 2.166 3.938 401419 33.085 2.070 3.938 398769 33.278 7.060 3.938 232984 31.089 1.982 4.215 346338 30.968 2.180 4.278 365908 30.974 2.049 4.282 418235 31.051 0.539 4.215 404814 47.953 8.693 0.711 388553 47.894 8.841 0.711 264818 47.581 7.118 1.706 303147 40.380 7.964 4.488 479652 31.059 8.109 4.213 851773 31.101 7.077 4.273 452505 48.510 8.601 0.850 350210 47.571 8.336 1.702 588733 47.911 7.113 0.957 336127 47.819 8.715 0.949 481621 30.169 3.675 2.162 174110 30.251 3.676 2.057 208267 53.844 7.762 0.910 311726 51.819 8.656 1.130 262261 32.270 2.422 4.419 2629086 32.270 8.714 4.424 1027120 32.429 2.008 4.424 2728441 32.412 4.415 2.445 1953002 32.655 2.432 2.019 18510694 32.648 3.378 2.017 625296 32.647 2.007 2.443 17137088 49.358 2.429 3.369 464742 49.353 2.435 3.406 432687 49.371 2.003 3.414 3028084 49.371 2.010 3.365 3025822 56.433 2.428 1.981 2112774 56.463 2.425 2.040 1222091 56.429 3.376 1.981 2223500 56.444 3.373 2.040 2028300 31.774 1.849 4.246 2615886 31.759 1.471 4.247 1003861 31.709 0.896 4.246 3257240 31.719 8.301 4.245 7979946 38.649 8.713 1.863 421681 38.634 4.233 1.864 1552920 38.640 1.851 1.863 147141168 38.633 1.473 1.863 2373475 38.647 1.200 1.861 789983 38.657 0.894 1.863 3503337 38.640 8.301 1.863 939980 42.986 8.745 0.850 463315 42.970 4.231 0.853 511100 42.994 1.855 0.856 822374 42.987 1.462 0.854 310168 42.977 1.168 0.853 4273822 43.039 8.316 0.855 342837 57.332 4.234 1.485 655503 57.334 4.235 1.194 876319 57.357 1.854 1.485 1259880 57.352 1.472 1.195 23887764 57.358 1.184 1.485 24218160 57.353 1.183 1.194 121343368 57.319 0.866 1.484 3563034 57.363 0.868 1.193 4205638 47.576 8.723 0.916 523772 47.525 4.231 0.913 2562719 47.547 1.846 0.913 3165088 47.520 8.308 0.914 1321452 31.501 4.198 4.410 16555110 31.504 1.167 4.409 4235324 31.505 8.368 4.409 8508379 31.505 8.368 4.409 8508379 39.905 8.342 4.207 2279305 39.913 4.393 4.207 8597959 39.901 1.165 4.206 6554362 51.637 4.243 1.195 9064884 51.641 8.318 1.189 3868279 51.620 4.391 1.181 2601326 28.200 3.782 4.447 5322182 28.202 8.327 4.448 10675167 28.249 1.621 4.447 550756 28.200 1.227 4.448 703205 28.116 7.963 4.451 436552 33.993 4.434 3.871 2953368 33.996 4.433 3.804 2963497 33.974 7.973 3.873 468176 33.973 7.961 3.801 416313 33.992 8.353 3.872 2718602 33.987 8.356 3.803 2742543 56.742 8.323 4.221 3817688 56.742 1.241 4.220 3503701 56.738 7.967 4.219 7277658 56.734 1.625 4.220 8769692 32.983 8.313 1.630 3202563 33.039 8.321 1.656 3524112 33.027 4.208 1.629 3363559 33.033 4.209 1.651 3324870 33.025 1.245 1.631 5400092 33.033 1.253 1.654 5664239 33.032 7.967 1.629 1263656 32.983 7.969 1.661 1198986 28.984 4.211 1.600 968032 29.045 2.912 1.602 7674172 29.056 1.254 1.602 11102509 29.067 1.589 1.601 338168768 42.081 1.275 2.931 5207792 42.075 1.619 2.933 21700118 54.642 8.325 1.251 1527404 54.591 4.210 1.259 1593181 54.588 2.913 1.256 1437893 54.582 7.965 1.266 455258 54.700 1.590 1.234 10981565 39.516 7.969 2.836 1871141 39.501 7.968 3.025 1731234 39.503 2.825 3.024 8054838 39.505 3.011 2.837 7864552 39.537 7.042 2.837 2273215 39.501 7.043 3.025 2269281 39.525 8.351 2.827 890242 39.491 8.338 3.022 1105799 39.530 2.063 2.837 397102 39.526 2.071 3.024 367611 39.571 2.317 2.839 454329 39.527 2.309 3.024 509529 39.542 0.954 2.839 895880 39.498 0.954 3.025 779224 39.506 0.704 3.025 633716 31.616 8.338 4.336 1526942 31.606 1.228 4.339 4120559 31.612 8.593 4.338 4827390 31.590 2.658 4.341 596303 31.604 7.970 4.341 521749 31.623 2.063 4.342 339288 31.628 2.325 4.342 529779 40.319 8.349 4.488 951057 40.333 4.347 4.486 2272786 40.331 4.472 4.486 5784530 40.340 1.229 4.487 5025524 40.326 8.584 4.487 3018960 51.877 8.340 1.236 4488250 51.887 4.333 1.237 3670436 51.888 4.467 1.237 3418810 51.647 8.615 1.203 793879 51.893 7.973 1.237 894813 51.874 2.046 1.238 679774 51.901 2.317 1.240 754004 51.890 7.020 1.237 409029 56.727 8.562 4.396 3045285 56.650 2.331 4.389 745185 56.708 0.773 4.396 958582 56.711 0.953 4.393 1637340 56.729 2.132 4.395 2029108 56.653 2.656 4.392 6011705 40.330 4.383 2.652 1544498 40.330 4.383 2.713 1572064 40.339 8.573 2.647 2169727 40.352 8.575 2.711 2342160 40.470 7.985 2.654 301601 40.339 7.985 2.713 303847 40.348 0.946 2.644 370704 40.294 0.945 2.710 364740 29.271 8.529 4.056 3237309 29.339 8.162 4.057 1660537 29.327 2.046 4.058 8320302 29.282 7.947 4.061 2261016 29.395 8.530 1.979 3086032 29.361 4.042 1.980 3027031 29.301 1.978 1.980 25825752 29.323 2.044 1.984 21853312 29.306 2.263 1.985 7729482 29.329 7.973 1.976 1438104 29.231 2.259 2.058 17813634 29.188 2.044 2.059 54915372 29.251 4.039 2.068 4805667 36.323 7.977 2.268 522943 36.352 7.977 2.350 604794 36.317 4.044 2.348 1977041 28.959 8.338 2.082 609618 28.857 8.337 2.325 589587 28.866 2.071 2.324 5936509 28.874 0.549 2.088 563540 28.807 0.552 2.330 320795 28.915 0.727 2.074 775008 28.894 0.702 2.326 400199 28.946 7.976 2.084 2949573 28.858 7.974 2.322 2508912 28.840 2.319 2.323 11643161 34.392 4.011 2.350 1730619 34.404 4.013 2.452 1682569 34.392 7.566 2.351 1528289 34.404 7.567 2.449 1482085 34.391 7.002 2.351 829340 34.403 7.006 2.450 858563 34.260 2.426 2.352 23582680 34.352 2.433 2.458 27196404 34.356 0.558 2.350 605647 34.384 0.549 2.449 566994 34.360 0.687 2.349 527281 34.441 0.703 2.448 500611 34.368 7.974 2.351 2294454 34.402 7.973 2.451 2263493 34.297 2.074 2.350 6203604 34.321 2.073 2.456 4445434 34.346 2.355 2.456 23874578 37.124 7.981 3.297 1865350 37.130 2.134 3.298 1396938 37.124 0.752 3.297 4212072 37.119 0.955 3.297 3515256 37.109 8.165 3.297 615417 37.119 7.756 3.299 679477 37.115 1.606 3.299 1173988 37.116 0.571 3.299 1662205 31.787 7.981 2.151 2645247 31.740 0.773 2.156 4270099 31.695 0.964 2.160 4270402 31.818 8.169 2.151 1869813 31.799 3.287 2.154 865041 31.733 2.144 2.156 10842231 51.064 7.980 0.778 2197916 51.058 3.286 0.778 3940684 51.065 2.139 0.777 7589683 51.062 0.766 0.777 146986896 51.073 0.942 0.777 12821399 51.055 8.169 0.778 1983824 51.054 3.827 0.777 1196085 51.071 1.680 0.777 2261686 51.042 2.649 0.779 424692 51.054 8.556 0.777 1043670 51.041 7.045 0.777 931728 51.014 1.503 0.777 1305563 53.384 2.822 0.962 1045830 53.326 3.012 0.963 935734 53.375 7.039 0.964 1101402 53.436 4.382 0.964 731563 53.375 7.982 0.963 7077703 53.379 3.287 0.963 4598680 53.385 2.140 0.965 8369890 53.363 0.735 0.964 144