data_15167 save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of E. Coli YehR Protein. Northeast Structural Genomics Target ER538. ; 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 Chen Chen X. . 5 Jiang Mei . . 6 Cunningham Kellie . . 7 Ma Li-Chung . . 8 Xiao Rong . . 9 Liu Jinfeng . . 10 Baran Michael C. . 11 Swapna Gurla "V.T." . 12 Acton Thomas B. . 13 Rost Burkhard . . 14 Montelione Gaetano T. . 15 Kennedy Michael A. . stop_ _BMRB_accession_number 15167 _BMRB_flat_file_name bmr15167.str _Entry_type new _Submission_date 2007-03-08 _Accession_date 2007-03-08 _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 5 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 974 "13C chemical shifts" 611 "15N chemical shifts" 147 stop_ save_ save_entry_citation _Saveframe_category entry_citation _Citation_title "NMR Structure of E. Coli YehR Protein" _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 Jiang Mei . . 5 Xiao Rong . . 6 Swapna Gurla "V.T." . 7 Montelione Gaetano T. . 8 Kennedy Michael A. . stop_ _Journal_abbreviation ? _Journal_volume ? _Journal_issue ? _Page_first ? _Page_last ? _Year ? save_ save_assembly _Saveframe_category molecular_system _Mol_system_name YehR loop_ _Mol_system_component_name _Mol_label YehR $entity stop_ _System_molecular_weight 15363 _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no save_ save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 15389.607 _Mol_thiol_state "not present" loop_ _Biological_function unknown stop_ _Residue_count 139 _Mol_residue_sequence ; MGDKEESKKFSANLNGTEIA ITYVYKGDKVLKQSSETKIQ FASIGATTKEDAAKTLEPLS AKYKNIAGVEEKLTYTDTYA QENVTIDMEKVDFKALQGIS GINVSAEDAKKGITMAQMEL VMKAAGFKEVKLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 ASP 4 LYS 5 GLU 6 GLU 7 SER 8 LYS 9 LYS 10 PHE 11 SER 12 ALA 13 ASN 14 LEU 15 ASN 16 GLY 17 THR 18 GLU 19 ILE 20 ALA 21 ILE 22 THR 23 TYR 24 VAL 25 TYR 26 LYS 27 GLY 28 ASP 29 LYS 30 VAL 31 LEU 32 LYS 33 GLN 34 SER 35 SER 36 GLU 37 THR 38 LYS 39 ILE 40 GLN 41 PHE 42 ALA 43 SER 44 ILE 45 GLY 46 ALA 47 THR 48 THR 49 LYS 50 GLU 51 ASP 52 ALA 53 ALA 54 LYS 55 THR 56 LEU 57 GLU 58 PRO 59 LEU 60 SER 61 ALA 62 LYS 63 TYR 64 LYS 65 ASN 66 ILE 67 ALA 68 GLY 69 VAL 70 GLU 71 GLU 72 LYS 73 LEU 74 THR 75 TYR 76 THR 77 ASP 78 THR 79 TYR 80 ALA 81 GLN 82 GLU 83 ASN 84 VAL 85 THR 86 ILE 87 ASP 88 MET 89 GLU 90 LYS 91 VAL 92 ASP 93 PHE 94 LYS 95 ALA 96 LEU 97 GLN 98 GLY 99 ILE 100 SER 101 GLY 102 ILE 103 ASN 104 VAL 105 SER 106 ALA 107 GLU 108 ASP 109 ALA 110 LYS 111 LYS 112 GLY 113 ILE 114 THR 115 MET 116 ALA 117 GLN 118 MET 119 GLU 120 LEU 121 VAL 122 MET 123 LYS 124 ALA 125 ALA 126 GLY 127 PHE 128 LYS 129 GLU 130 VAL 131 LYS 132 LEU 133 GLU 134 HIS 135 HIS 136 HIS 137 HIS 138 HIS 139 HIS stop_ save_ save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity "Escherichia coli" 562 Bacteria ? Escherichia coli stop_ save_ save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity "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 $entity 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 $entity 1 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_sample_3 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 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_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_ 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_AutoStructure _Saveframe_category software _Name AutoStructure _Version 2.1.1 loop_ _Vendor _Address _Electronic_address "Huang, Swapana, Rajan, Ke, Xia, Shukla, Inouye and Montelione" ? ? stop_ loop_ _Task "data analysis" stop_ save_ save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 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 500 save_ save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name "2D 1H-15N HSQC" _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name "3D HNCO" _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name "3D HNCA" _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name "3D HN(CO)CA" _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_2 save_ save_3D_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name "3D C(CO)NH" _Sample_label $sample_1 save_ save_3D_H(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name "3D H(CCO)NH" _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name "3D HCCH-TOCSY" _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name "2D 1H-13C HSQC" _Sample_label $sample_3 save_ save_2D_1H-13C_(Arom)_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name "2D 1H-13C (Arom) HSQC" _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name "2D 1H-15N HSQC" _Sample_label $sample_1 save_ save_2D_1H-15N_(NH2)_HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name "2D 1H-15N (NH2) HSQC" _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name "3D 1H-15N NOESY" _Sample_label $sample_2 save_ save_3D_1H-13C_(Aliph)_NOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name "3D 1H-13C (Aliph) NOESY" _Sample_label $sample_1 save_ save_3D_1H-13C_(Arom)_NOESY_18 _Saveframe_category NMR_applied_experiment _Experiment_name "3D 1H-13C (Arom) NOESY" _Sample_label $sample_1 save_ save_3D_1H-13C_(Aliph)_NOESY_19 _Saveframe_category NMR_applied_experiment _Experiment_name "3D 1H-13C (Aliph) NOESY" _Sample_label $sample_3 save_ save_4D_1H-13C_NOESY_20 _Saveframe_category NMR_applied_experiment _Experiment_name "4D 1H-13C NOESY" _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_21 _Saveframe_category NMR_applied_experiment _Experiment_name "2D 1H-13C HSQC" _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 283 1 K pH 5.5 0.2 pH pressure 1 ? atm "ionic strength" 100 1 mM stop_ save_ save_sample_conditions_2 _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" 100 1 mM 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 $SPARKY stop_ loop_ _Experiment_label "2D 1H-15N HSQC" "3D 1H-15N NOESY" "3D 1H-13C (Aliph) NOESY" "3D 1H-13C (Arom) NOESY" stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name YehR loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 GLY H H 8.67 0.02 1 2 2 GLY HA2 H 3.99 0.02 1 3 2 GLY HA3 H 3.99 0.02 1 4 2 GLY C C 178.2 0.2 1 5 2 GLY CA C 45.1 0.2 1 6 2 GLY N N 110.7 0.2 1 7 3 ASP H H 8.44 0.02 1 8 3 ASP HA H 4.65 0.02 1 9 3 ASP HB2 H 2.51 0.02 2 10 3 ASP HB3 H 2.66 0.02 2 11 3 ASP C C 175.5 0.2 1 12 3 ASP CA C 54.5 0.2 1 13 3 ASP CB C 41.7 0.2 1 14 3 ASP N N 120.2 0.2 1 15 4 LYS H H 8.43 0.02 1 16 4 LYS HA H 4.35 0.02 1 17 4 LYS HB2 H 1.75 0.02 2 18 4 LYS HB3 H 1.80 0.02 2 19 4 LYS HG2 H 1.39 0.02 1 20 4 LYS HG3 H 1.39 0.02 1 21 4 LYS HD2 H 1.64 0.02 1 22 4 LYS HD3 H 1.64 0.02 1 23 4 LYS HE2 H 2.95 0.02 1 24 4 LYS HE3 H 2.95 0.02 1 25 4 LYS C C 175.7 0.2 1 26 4 LYS CA C 55.6 0.2 1 27 4 LYS CB C 33.7 0.2 1 28 4 LYS CG C 24.8 0.2 1 29 4 LYS CD C 29.1 0.2 1 30 4 LYS CE C 42.2 0.2 1 31 4 LYS N N 120.2 0.2 1 32 5 GLU H H 8.50 0.02 1 33 5 GLU HA H 4.37 0.02 1 34 5 GLU HB2 H 1.80 0.02 1 35 5 GLU HB3 H 1.80 0.02 1 36 5 GLU HG2 H 1.99 0.02 2 37 5 GLU HG3 H 2.13 0.02 2 38 5 GLU C C 175.6 0.2 1 39 5 GLU CA C 56.7 0.2 1 40 5 GLU CB C 30.2 0.2 1 41 5 GLU CG C 36.9 0.2 1 42 5 GLU N N 121.7 0.2 1 43 6 GLU H H 8.75 0.02 1 44 6 GLU HA H 4.47 0.02 1 45 6 GLU HB2 H 0.80 0.02 2 46 6 GLU HB3 H 1.76 0.02 2 47 6 GLU HG2 H 2.03 0.02 1 48 6 GLU HG3 H 2.03 0.02 1 49 6 GLU C C 173.6 0.2 1 50 6 GLU CA C 55.0 0.2 1 51 6 GLU CB C 33.1 0.2 1 52 6 GLU CG C 36.7 0.2 1 53 6 GLU N N 124.6 0.2 1 54 7 SER H H 8.34 0.02 1 55 7 SER HA H 6.05 0.02 1 56 7 SER HB2 H 3.67 0.02 1 57 7 SER HB3 H 3.67 0.02 1 58 7 SER C C 174.3 0.2 1 59 7 SER CA C 56.9 0.2 1 60 7 SER CB C 66.7 0.2 1 61 7 SER N N 111.5 0.2 1 62 8 LYS H H 8.97 0.02 1 63 8 LYS HA H 4.72 0.02 1 64 8 LYS HB2 H 1.77 0.02 2 65 8 LYS HB3 H 1.87 0.02 2 66 8 LYS HG2 H 1.64 0.02 2 67 8 LYS HG3 H 1.44 0.02 2 68 8 LYS HD2 H 1.49 0.02 1 69 8 LYS HD3 H 1.49 0.02 1 70 8 LYS HE2 H 2.88 0.02 1 71 8 LYS HE3 H 2.88 0.02 1 72 8 LYS C C 173.2 0.2 1 73 8 LYS CA C 56.4 0.2 1 74 8 LYS CB C 38.6 0.2 1 75 8 LYS CG C 26.2 0.2 1 76 8 LYS CD C 29.7 0.2 1 77 8 LYS CE C 41.8 0.2 1 78 8 LYS N N 122.1 0.2 1 79 9 LYS H H 8.87 0.02 1 80 9 LYS HA H 5.58 0.02 1 81 9 LYS HB2 H 1.62 0.02 2 82 9 LYS HB3 H 1.70 0.02 2 83 9 LYS HG2 H 1.12 0.02 2 84 9 LYS HG3 H 1.43 0.02 2 85 9 LYS HD2 H 1.49 0.02 1 86 9 LYS HD3 H 1.49 0.02 1 87 9 LYS HE2 H 2.76 0.02 1 88 9 LYS HE3 H 2.76 0.02 1 89 9 LYS C C 173.7 0.2 1 90 9 LYS CA C 54.8 0.2 1 91 9 LYS CB C 36.8 0.2 1 92 9 LYS CG C 25.4 0.2 1 93 9 LYS CD C 29.3 0.2 1 94 9 LYS CE C 42.4 0.2 1 95 9 LYS N N 125.5 0.2 1 96 10 PHE H H 9.56 0.02 1 97 10 PHE HA H 5.45 0.02 1 98 10 PHE HB2 H 2.88 0.02 2 99 10 PHE HB3 H 3.11 0.02 2 100 10 PHE HD1 H 7.06 0.02 1 101 10 PHE HD2 H 7.06 0.02 1 102 10 PHE HE1 H 7.00 0.02 1 103 10 PHE HE2 H 7.00 0.02 1 104 10 PHE HZ H 7.11 0.02 1 105 10 PHE C C 175.3 0.2 1 106 10 PHE CA C 56.4 0.2 1 107 10 PHE CB C 44.9 0.2 1 108 10 PHE CD1 C 132.0 0.02 1 109 10 PHE CD2 C 132.0 0.02 1 110 10 PHE CE1 C 131.6 0.02 1 111 10 PHE CE2 C 131.6 0.02 1 112 10 PHE CZ C 129.6 0.2 1 113 10 PHE N N 122.8 0.2 1 114 11 SER H H 9.51 0.02 1 115 11 SER HA H 5.91 0.02 1 116 11 SER HB2 H 3.67 0.02 2 117 11 SER HB3 H 3.96 0.02 2 118 11 SER C C 173.2 0.2 1 119 11 SER CA C 57.1 0.2 1 120 11 SER CB C 67.1 0.2 1 121 11 SER N N 114.9 0.2 1 122 12 ALA H H 8.86 0.02 1 123 12 ALA HA H 4.37 0.02 1 124 12 ALA HB H 0.30 0.02 1 125 12 ALA C C 174.9 0.2 1 126 12 ALA CA C 51.9 0.2 1 127 12 ALA CB C 21.4 0.2 1 128 12 ALA N N 123.5 0.2 1 129 13 ASN H H 8.44 0.02 1 130 13 ASN HA H 5.16 0.02 1 131 13 ASN HB2 H 2.52 0.02 2 132 13 ASN HB3 H 2.76 0.02 2 133 13 ASN HD21 H 7.51 0.02 2 134 13 ASN HD22 H 6.64 0.02 2 135 13 ASN C C 174.5 0.2 1 136 13 ASN CA C 52.4 0.2 1 137 13 ASN CB C 39.4 0.2 1 138 13 ASN CG C 176.5 0.2 1 139 13 ASN N N 119.2 0.2 1 140 13 ASN ND2 N 110.9 0.2 1 141 14 LEU H H 8.42 0.02 1 142 14 LEU HA H 4.63 0.02 1 143 14 LEU HB2 H 1.50 0.02 1 144 14 LEU HB3 H 1.50 0.02 1 145 14 LEU HG H 1.36 0.02 1 146 14 LEU HD1 H 0.79 0.02 2 147 14 LEU HD2 H 0.85 0.02 2 148 14 LEU C C 176.7 0.2 1 149 14 LEU CA C 53.3 0.2 1 150 14 LEU CB C 42.6 0.2 1 151 14 LEU CG C 26.7 0.2 1 152 14 LEU CD1 C 23.8 0.02 2 153 14 LEU CD2 C 25.0 0.02 2 154 14 LEU N N 124.6 0.2 1 155 15 ASN H H 9.34 0.02 1 156 15 ASN HA H 4.38 0.02 1 157 15 ASN HB2 H 2.74 0.02 2 158 15 ASN HB3 H 3.05 0.02 2 159 15 ASN HD21 H 7.74 0.02 2 160 15 ASN HD22 H 7.00 0.02 2 161 15 ASN C C 175.1 0.2 1 162 15 ASN CA C 54.1 0.2 1 163 15 ASN CB C 37.6 0.2 1 164 15 ASN CG C 178.0 0.2 1 165 15 ASN N N 122.9 0.2 1 166 15 ASN ND2 N 113.5 0.2 1 167 16 GLY H H 8.37 0.02 1 168 16 GLY HA2 H 3.72 0.02 2 169 16 GLY HA3 H 4.31 0.02 2 170 16 GLY C C 174.5 0.2 1 171 16 GLY CA C 45.8 0.2 1 172 16 GLY N N 105.8 0.2 1 173 17 THR H H 7.77 0.02 1 174 17 THR HA H 4.69 0.02 1 175 17 THR HB H 4.14 0.02 1 176 17 THR HG2 H 1.13 0.02 1 177 17 THR C C 172.6 0.2 1 178 17 THR CA C 61.6 0.2 1 179 17 THR CB C 70.6 0.2 1 180 17 THR CG2 C 21.9 0.2 1 181 17 THR N N 117.3 0.2 1 182 18 GLU H H 8.20 0.02 1 183 18 GLU HA H 4.73 0.02 1 184 18 GLU HB2 H 1.87 0.02 2 185 18 GLU HB3 H 2.01 0.02 2 186 18 GLU HG2 H 2.10 0.02 2 187 18 GLU HG3 H 2.20 0.02 2 188 18 GLU C C 175.0 0.2 1 189 18 GLU CA C 56.1 0.2 1 190 18 GLU CB C 31.5 0.2 1 191 18 GLU CG C 36.1 0.2 1 192 18 GLU N N 126.5 0.2 1 193 19 ILE H H 8.85 0.02 1 194 19 ILE HA H 5.03 0.02 1 195 19 ILE HB H 1.71 0.02 1 196 19 ILE HG12 H 1.11 0.02 2 197 19 ILE HG13 H 1.59 0.02 2 198 19 ILE HG2 H 1.03 0.02 1 199 19 ILE HD1 H 0.92 0.02 1 200 19 ILE C C 174.0 0.2 1 201 19 ILE CA C 60.8 0.2 1 202 19 ILE CB C 41.9 0.2 1 203 19 ILE CG1 C 27.9 0.2 1 204 19 ILE CG2 C 17.1 0.2 1 205 19 ILE CD1 C 15.0 0.2 1 206 19 ILE N N 125.7 0.2 1 207 20 ALA H H 8.84 0.02 1 208 20 ALA HA H 5.63 0.02 1 209 20 ALA HB H 1.39 0.02 1 210 20 ALA C C 176.8 0.2 1 211 20 ALA CA C 50.4 0.2 1 212 20 ALA CB C 21.9 0.2 1 213 20 ALA N N 129.0 0.2 1 214 21 ILE H H 9.52 0.02 1 215 21 ILE HA H 4.84 0.02 1 216 21 ILE HB H 1.34 0.02 1 217 21 ILE HG12 H 0.73 0.02 2 218 21 ILE HG13 H 1.35 0.02 2 219 21 ILE HG2 H 0.26 0.02 1 220 21 ILE HD1 H 0.34 0.02 1 221 21 ILE C C 174.5 0.2 1 222 21 ILE CA C 60.3 0.2 1 223 21 ILE CB C 41.3 0.2 1 224 21 ILE CG1 C 27.7 0.2 1 225 21 ILE CG2 C 17.3 0.2 1 226 21 ILE CD1 C 13.9 0.2 1 227 21 ILE N N 124.4 0.2 1 228 22 THR H H 9.25 0.02 1 229 22 THR HA H 5.17 0.02 1 230 22 THR HB H 3.89 0.02 1 231 22 THR HG2 H 1.09 0.02 1 232 22 THR C C 173.8 0.2 1 233 22 THR CA C 61.8 0.2 1 234 22 THR CB C 70.6 0.2 1 235 22 THR CG2 C 21.0 0.2 1 236 22 THR N N 123.1 0.2 1 237 23 TYR H H 9.52 0.02 1 238 23 TYR HA H 5.32 0.02 1 239 23 TYR HB2 H 2.85 0.02 2 240 23 TYR HB3 H 3.08 0.02 2 241 23 TYR HD1 H 7.06 0.02 1 242 23 TYR HD2 H 7.06 0.02 1 243 23 TYR HE1 H 6.56 0.02 1 244 23 TYR HE2 H 6.56 0.02 1 245 23 TYR C C 175.1 0.2 1 246 23 TYR CA C 57.5 0.2 1 247 23 TYR CB C 42.2 0.2 1 248 23 TYR CD1 C 132.2 0.02 1 249 23 TYR CD2 C 132.2 0.02 1 250 23 TYR CE1 C 118.0 0.02 1 251 23 TYR CE2 C 118.0 0.02 1 252 23 TYR N N 126.3 0.2 1 253 24 VAL H H 8.73 0.02 1 254 24 VAL HA H 5.08 0.02 1 255 24 VAL HB H 1.87 0.02 1 256 24 VAL HG1 H 0.96 0.02 2 257 24 VAL HG2 H 0.94 0.02 2 258 24 VAL C C 175.5 0.2 1 259 24 VAL CA C 61.5 0.2 1 260 24 VAL CB C 33.4 0.2 1 261 24 VAL CG1 C 21.3 0.02 2 262 24 VAL CG2 C 20.8 0.02 2 263 24 VAL N N 122.7 0.2 1 264 25 TYR H H 9.34 0.02 1 265 25 TYR HA H 5.53 0.02 1 266 25 TYR HB2 H 2.72 0.02 1 267 25 TYR HB3 H 2.72 0.02 1 268 25 TYR HD1 H 6.95 0.02 1 269 25 TYR HD2 H 6.95 0.02 1 270 25 TYR HE1 H 6.59 0.02 1 271 25 TYR HE2 H 6.59 0.02 1 272 25 TYR C C 171.8 0.2 1 273 25 TYR CA C 55.3 0.2 1 274 25 TYR CB C 42.7 0.2 1 275 25 TYR CD1 C 134.2 0.02 1 276 25 TYR CD2 C 134.2 0.02 1 277 25 TYR CE1 C 117.8 0.02 1 278 25 TYR CE2 C 117.8 0.02 1 279 25 TYR N N 126.1 0.2 1 280 26 LYS H H 8.75 0.02 1 281 26 LYS HA H 4.63 0.02 1 282 26 LYS HB2 H 1.55 0.02 2 283 26 LYS HB3 H 1.76 0.02 2 284 26 LYS HG2 H 1.23 0.02 1 285 26 LYS HG3 H 1.23 0.02 1 286 26 LYS HD2 H 1.64 0.02 1 287 26 LYS HD3 H 1.64 0.02 1 288 26 LYS HE2 H 2.90 0.02 1 289 26 LYS HE3 H 2.90 0.02 1 290 26 LYS C C 177.0 0.2 1 291 26 LYS CA C 55.7 0.2 1 292 26 LYS CB C 35.7 0.2 1 293 26 LYS CG C 24.8 0.2 1 294 26 LYS CD C 29.5 0.2 1 295 26 LYS CE C 42.1 0.2 1 296 26 LYS N N 120.2 0.2 1 297 27 GLY H H 9.64 0.02 1 298 27 GLY HA2 H 3.74 0.02 2 299 27 GLY HA3 H 4.05 0.02 2 300 27 GLY C C 174.0 0.2 1 301 27 GLY CA C 47.4 0.2 1 302 27 GLY N N 120.3 0.2 1 303 28 ASP H H 8.96 0.02 1 304 28 ASP HA H 4.75 0.02 1 305 28 ASP HB2 H 2.71 0.02 1 306 28 ASP HB3 H 2.71 0.02 1 307 28 ASP C C 175.6 0.2 1 308 28 ASP CA C 54.1 0.2 1 309 28 ASP CB C 42.2 0.2 1 310 28 ASP N N 125.1 0.2 1 311 29 LYS H H 7.94 0.02 1 312 29 LYS HA H 4.53 0.02 1 313 29 LYS HB2 H 1.85 0.02 2 314 29 LYS HB3 H 1.99 0.02 2 315 29 LYS HG2 H 1.32 0.02 2 316 29 LYS HG3 H 1.49 0.02 2 317 29 LYS HD2 H 1.68 0.02 1 318 29 LYS HD3 H 1.68 0.02 1 319 29 LYS HE2 H 2.92 0.02 1 320 29 LYS HE3 H 2.92 0.02 1 321 29 LYS C C 175.7 0.2 1 322 29 LYS CA C 56.0 0.2 1 323 29 LYS CB C 34.7 0.2 1 324 29 LYS CG C 25.1 0.2 1 325 29 LYS CD C 28.8 0.2 1 326 29 LYS CE C 42.1 0.2 1 327 29 LYS N N 120.4 0.2 1 328 30 VAL H H 8.46 0.02 1 329 30 VAL HA H 3.93 0.02 1 330 30 VAL HB H 1.88 0.02 1 331 30 VAL HG1 H 1.07 0.02 2 332 30 VAL HG2 H 0.76 0.02 2 333 30 VAL C C 174.8 0.2 1 334 30 VAL CA C 64.0 0.2 1 335 30 VAL CB C 32.0 0.2 1 336 30 VAL CG1 C 23.2 0.02 2 337 30 VAL CG2 C 22.4 0.02 2 338 30 VAL N N 124.6 0.2 1 339 31 LEU H H 9.64 0.02 1 340 31 LEU HA H 4.55 0.02 1 341 31 LEU HB2 H 1.56 0.02 2 342 31 LEU HB3 H 1.67 0.02 2 343 31 LEU HG H 1.72 0.02 1 344 31 LEU HD1 H 0.88 0.02 2 345 31 LEU HD2 H 0.82 0.02 2 346 31 LEU C C 178.0 0.2 1 347 31 LEU CA C 56.0 0.2 1 348 31 LEU CB C 43.3 0.2 1 349 31 LEU CG C 27.4 0.2 1 350 31 LEU CD1 C 25.9 0.02 2 351 31 LEU CD2 C 22.5 0.02 2 352 31 LEU N N 127.0 0.2 1 353 32 LYS H H 8.10 0.02 1 354 32 LYS HA H 5.36 0.02 1 355 32 LYS HB2 H 1.73 0.02 1 356 32 LYS HB3 H 1.73 0.02 1 357 32 LYS HG2 H 1.37 0.02 1 358 32 LYS HG3 H 1.37 0.02 1 359 32 LYS HD2 H 1.56 0.02 1 360 32 LYS HD3 H 1.56 0.02 1 361 32 LYS HE2 H 2.80 0.02 1 362 32 LYS HE3 H 2.80 0.02 1 363 32 LYS C C 173.9 0.2 1 364 32 LYS CA C 55.3 0.2 1 365 32 LYS CB C 37.8 0.2 1 366 32 LYS CG C 25.2 0.2 1 367 32 LYS CD C 29.3 0.2 1 368 32 LYS CE C 41.9 0.2 1 369 32 LYS N N 118.0 0.2 1 370 33 GLN H H 8.68 0.02 1 371 33 GLN HA H 4.98 0.02 1 372 33 GLN HB2 H 1.84 0.02 1 373 33 GLN HB3 H 1.84 0.02 1 374 33 GLN HG2 H 1.67 0.02 1 375 33 GLN HG3 H 1.67 0.02 1 376 33 GLN HE21 H 6.87 0.02 2 377 33 GLN HE22 H 6.61 0.02 2 378 33 GLN C C 174.3 0.2 1 379 33 GLN CA C 54.4 0.2 1 380 33 GLN CB C 33.9 0.2 1 381 33 GLN CG C 33.8 0.2 1 382 33 GLN CD C 177.9 0.2 1 383 33 GLN N N 121.6 0.2 1 384 33 GLN NE2 N 108.6 0.2 1 385 34 SER H H 9.12 0.02 1 386 34 SER HA H 5.63 0.02 1 387 34 SER HB2 H 3.63 0.02 2 388 34 SER HB3 H 3.85 0.02 2 389 34 SER C C 172.8 0.2 1 390 34 SER CA C 56.7 0.2 1 391 34 SER CB C 64.7 0.2 1 392 34 SER N N 122.7 0.2 1 393 35 SER H H 9.67 0.02 1 394 35 SER HA H 5.54 0.02 1 395 35 SER HB2 H 3.64 0.02 1 396 35 SER HB3 H 3.64 0.02 1 397 35 SER C C 173.4 0.2 1 398 35 SER CA C 56.4 0.2 1 399 35 SER CB C 66.3 0.2 1 400 35 SER N N 120.5 0.2 1 401 36 GLU H H 9.28 0.02 1 402 36 GLU HA H 5.17 0.02 1 403 36 GLU HB2 H 1.93 0.02 1 404 36 GLU HB3 H 1.93 0.02 1 405 36 GLU HG2 H 1.96 0.02 1 406 36 GLU HG3 H 1.96 0.02 1 407 36 GLU C C 175.0 0.2 1 408 36 GLU CA C 55.6 0.2 1 409 36 GLU CB C 33.5 0.2 1 410 36 GLU CG C 36.7 0.2 1 411 36 GLU N N 126.1 0.2 1 412 37 THR H H 8.82 0.02 1 413 37 THR HA H 5.21 0.02 1 414 37 THR HB H 3.98 0.02 1 415 37 THR HG2 H 1.12 0.02 1 416 37 THR C C 173.1 0.2 1 417 37 THR CA C 61.8 0.2 1 418 37 THR CB C 71.1 0.2 1 419 37 THR CG2 C 21.2 0.2 1 420 37 THR N N 123.9 0.2 1 421 38 LYS H H 9.05 0.02 1 422 38 LYS HA H 5.10 0.02 1 423 38 LYS HB2 H 1.28 0.02 2 424 38 LYS HB3 H 1.58 0.02 2 425 38 LYS HG2 H 0.90 0.02 2 426 38 LYS HG3 H 1.17 0.02 2 427 38 LYS HD2 H 0.85 0.02 2 428 38 LYS HD3 H 1.06 0.02 2 429 38 LYS HE2 H 2.25 0.02 2 430 38 LYS HE3 H 2.36 0.02 2 431 38 LYS C C 175.3 0.2 1 432 38 LYS CA C 55.8 0.2 1 433 38 LYS CB C 34.5 0.2 1 434 38 LYS CG C 25.3 0.2 1 435 38 LYS CD C 29.1 0.2 1 436 38 LYS CE C 41.3 0.2 1 437 38 LYS N N 127.0 0.2 1 438 39 ILE H H 9.47 0.02 1 439 39 ILE HA H 4.39 0.02 1 440 39 ILE HB H 1.77 0.02 1 441 39 ILE HG12 H 1.06 0.02 2 442 39 ILE HG13 H 1.44 0.02 2 443 39 ILE HG2 H 0.92 0.02 1 444 39 ILE HD1 H 0.82 0.02 1 445 39 ILE C C 176.1 0.2 1 446 39 ILE CA C 60.6 0.2 1 447 39 ILE CB C 41.0 0.2 1 448 39 ILE CG1 C 27.8 0.2 1 449 39 ILE CG2 C 18.3 0.2 1 450 39 ILE CD1 C 14.7 0.2 1 451 39 ILE N N 127.4 0.2 1 452 40 GLN H H 9.31 0.02 1 453 40 GLN HA H 4.29 0.02 1 454 40 GLN HB2 H 2.08 0.02 2 455 40 GLN HB3 H 2.47 0.02 2 456 40 GLN HG2 H 2.55 0.02 1 457 40 GLN HG3 H 2.55 0.02 1 458 40 GLN HE21 H 7.65 0.02 2 459 40 GLN HE22 H 6.48 0.02 2 460 40 GLN C C 179.0 0.2 1 461 40 GLN CA C 56.0 0.2 1 462 40 GLN CB C 27.8 0.2 1 463 40 GLN CG C 33.0 0.2 1 464 40 GLN CD C 179.1 0.2 1 465 40 GLN N N 125.5 0.2 1 466 40 GLN NE2 N 111.3 0.2 1 467 41 PHE H H 8.89 0.02 1 468 41 PHE HA H 4.47 0.02 1 469 41 PHE HB2 H 3.02 0.02 2 470 41 PHE HB3 H 3.54 0.02 2 471 41 PHE HD1 H 6.85 0.02 1 472 41 PHE HD2 H 6.85 0.02 1 473 41 PHE HE1 H 7.08 0.02 1 474 41 PHE HE2 H 7.08 0.02 1 475 41 PHE HZ H 7.32 0.02 1 476 41 PHE C C 178.9 0.2 1 477 41 PHE CA C 57.5 0.2 1 478 41 PHE CB C 34.9 0.2 1 479 41 PHE CD1 C 127.7 0.02 1 480 41 PHE CD2 C 127.7 0.02 1 481 41 PHE CE1 C 131.1 0.02 1 482 41 PHE CE2 C 131.1 0.02 1 483 41 PHE CZ C 130.1 0.2 1 484 41 PHE N N 126.5 0.2 1 485 42 ALA H H 9.06 0.02 1 486 42 ALA HA H 4.32 0.02 1 487 42 ALA HB H 1.51 0.02 1 488 42 ALA C C 180.3 0.2 1 489 42 ALA CA C 54.9 0.2 1 490 42 ALA CB C 18.3 0.2 1 491 42 ALA N N 119.7 0.2 1 492 43 SER H H 7.50 0.02 1 493 43 SER HA H 4.42 0.02 1 494 43 SER HB2 H 4.14 0.02 1 495 43 SER HB3 H 4.14 0.02 1 496 43 SER C C 175.0 0.2 1 497 43 SER CA C 61.0 0.2 1 498 43 SER CB C 63.6 0.2 1 499 43 SER N N 112.2 0.2 1 500 44 ILE H H 7.30 0.02 1 501 44 ILE HA H 4.73 0.02 1 502 44 ILE HB H 2.33 0.02 1 503 44 ILE HG12 H 0.83 0.02 2 504 44 ILE HG13 H 1.40 0.02 2 505 44 ILE HG2 H 0.89 0.02 1 506 44 ILE HD1 H 0.89 0.02 1 507 44 ILE C C 176.4 0.2 1 508 44 ILE CA C 60.7 0.2 1 509 44 ILE CB C 38.6 0.2 1 510 44 ILE CG1 C 26.5 0.2 1 511 44 ILE CG2 C 17.7 0.2 1 512 44 ILE CD1 C 14.0 0.2 1 513 44 ILE N N 111.4 0.2 1 514 45 GLY H H 7.64 0.02 1 515 45 GLY HA2 H 3.86 0.02 2 516 45 GLY HA3 H 3.97 0.02 2 517 45 GLY C C 173.5 0.2 1 518 45 GLY CA C 46.6 0.2 1 519 45 GLY N N 110.8 0.2 1 520 46 ALA H H 7.78 0.02 1 521 46 ALA HA H 4.57 0.02 1 522 46 ALA HB H 1.01 0.02 1 523 46 ALA C C 176.8 0.2 1 524 46 ALA CA C 50.7 0.2 1 525 46 ALA CB C 20.3 0.2 1 526 46 ALA N N 121.1 0.2 1 527 47 THR H H 9.33 0.02 1 528 47 THR HA H 4.47 0.02 1 529 47 THR HB H 4.31 0.02 1 530 47 THR HG2 H 1.23 0.02 1 531 47 THR C C 174.5 0.2 1 532 47 THR CA C 63.4 0.2 1 533 47 THR CB C 69.6 0.2 1 534 47 THR CG2 C 21.8 0.2 1 535 47 THR N N 114.8 0.2 1 536 48 THR H H 7.69 0.02 1 537 48 THR HA H 4.79 0.02 1 538 48 THR HB H 4.60 0.02 1 539 48 THR HG2 H 1.22 0.02 1 540 48 THR C C 174.6 0.2 1 541 48 THR CA C 58.9 0.2 1 542 48 THR CB C 73.7 0.2 1 543 48 THR CG2 C 21.7 0.2 1 544 48 THR N N 110.4 0.2 1 545 49 LYS H H 9.14 0.02 1 546 49 LYS HA H 3.53 0.02 1 547 49 LYS HB2 H 1.63 0.02 2 548 49 LYS HB3 H 1.80 0.02 2 549 49 LYS HG2 H 1.21 0.02 2 550 49 LYS HG3 H 1.38 0.02 2 551 49 LYS HD2 H 1.50 0.02 1 552 49 LYS HD3 H 1.50 0.02 1 553 49 LYS HE2 H 2.75 0.02 2 554 49 LYS HE3 H 2.85 0.02 2 555 49 LYS C C 177.5 0.2 1 556 49 LYS CA C 59.1 0.2 1 557 49 LYS CB C 31.7 0.2 1 558 49 LYS CG C 23.8 0.2 1 559 49 LYS CD C 29.4 0.2 1 560 49 LYS CE C 41.7 0.2 1 561 49 LYS N N 120.0 0.2 1 562 50 GLU H H 8.30 0.02 1 563 50 GLU HA H 3.77 0.02 1 564 50 GLU HB2 H 1.77 0.02 2 565 50 GLU HB3 H 1.97 0.02 2 566 50 GLU HG2 H 2.11 0.02 2 567 50 GLU HG3 H 2.36 0.02 2 568 50 GLU C C 179.2 0.2 1 569 50 GLU CA C 60.3 0.2 1 570 50 GLU CB C 28.5 0.2 1 571 50 GLU CG C 37.2 0.2 1 572 50 GLU N N 120.6 0.2 1 573 51 ASP H H 7.63 0.02 1 574 51 ASP HA H 4.29 0.02 1 575 51 ASP HB2 H 2.75 0.02 1 576 51 ASP HB3 H 2.75 0.02 1 577 51 ASP C C 178.7 0.2 1 578 51 ASP CA C 56.7 0.2 1 579 51 ASP CB C 41.0 0.2 1 580 51 ASP N N 119.7 0.2 1 581 52 ALA H H 7.63 0.02 1 582 52 ALA HA H 3.70 0.02 1 583 52 ALA HB H 0.83 0.02 1 584 52 ALA C C 178.7 0.2 1 585 52 ALA CA C 54.8 0.2 1 586 52 ALA CB C 19.0 0.2 1 587 52 ALA N N 122.4 0.2 1 588 53 ALA H H 8.13 0.02 1 589 53 ALA HA H 4.44 0.02 1 590 53 ALA HB H 1.19 0.02 1 591 53 ALA C C 179.9 0.2 1 592 53 ALA CA C 54.8 0.2 1 593 53 ALA CB C 18.2 0.2 1 594 53 ALA N N 120.4 0.2 1 595 54 LYS H H 7.27 0.02 1 596 54 LYS HA H 4.01 0.02 1 597 54 LYS HB2 H 1.92 0.02 1 598 54 LYS HB3 H 1.92 0.02 1 599 54 LYS HG2 H 1.43 0.02 1 600 54 LYS HG3 H 1.43 0.02 1 601 54 LYS HD2 H 1.67 0.02 1 602 54 LYS HD3 H 1.67 0.02 1 603 54 LYS HE2 H 2.94 0.02 1 604 54 LYS HE3 H 2.94 0.02 1 605 54 LYS C C 178.9 0.2 1 606 54 LYS CA C 59.1 0.2 1 607 54 LYS CB C 32.1 0.2 1 608 54 LYS CG C 25.0 0.2 1 609 54 LYS CD C 29.0 0.2 1 610 54 LYS CE C 42.1 0.2 1 611 54 LYS N N 116.1 0.2 1 612 55 THR H H 7.42 0.02 1 613 55 THR HA H 4.08 0.02 1 614 55 THR HB H 4.15 0.02 1 615 55 THR HG2 H 1.25 0.02 1 616 55 THR C C 175.7 0.2 1 617 55 THR CA C 65.5 0.2 1 618 55 THR CB C 69.1 0.2 1 619 55 THR CG2 C 22.1 0.2 1 620 55 THR N N 114.0 0.2 1 621 56 LEU H H 8.54 0.02 1 622 56 LEU HA H 4.35 0.02 1 623 56 LEU HB2 H 1.54 0.02 2 624 56 LEU HB3 H 1.95 0.02 2 625 56 LEU HG H 1.83 0.02 1 626 56 LEU HD1 H 1.26 0.02 2 627 56 LEU HD2 H 0.87 0.02 2 628 56 LEU C C 178.3 0.2 1 629 56 LEU CA C 56.6 0.2 1 630 56 LEU CB C 42.5 0.2 1 631 56 LEU CG C 27.1 0.2 1 632 56 LEU CD1 C 25.1 0.02 2 633 56 LEU CD2 C 22.6 0.02 2 634 56 LEU N N 118.8 0.2 1 635 57 GLU H H 8.65 0.02 1 636 57 GLU HA H 4.16 0.02 1 637 57 GLU HB2 H 2.13 0.02 2 638 57 GLU HB3 H 2.24 0.02 2 639 57 GLU HG2 H 2.42 0.02 2 640 57 GLU HG3 H 2.52 0.02 2 641 57 GLU CA C 61.5 0.2 1 642 57 GLU CB C 26.5 0.2 1 643 57 GLU CG C 36.6 0.2 1 644 57 GLU N N 120.8 0.2 1 645 58 PRO HA H 4.36 0.02 1 646 58 PRO HB2 H 1.77 0.02 2 647 58 PRO HB3 H 2.38 0.02 2 648 58 PRO HG2 H 1.96 0.02 2 649 58 PRO HG3 H 2.10 0.02 2 650 58 PRO HD2 H 3.53 0.02 2 651 58 PRO HD3 H 3.65 0.02 2 652 58 PRO C C 178.9 0.2 1 653 58 PRO CA C 66.0 0.2 1 654 58 PRO CB C 31.2 0.2 1 655 58 PRO CG C 28.1 0.2 1 656 58 PRO CD C 51.0 0.2 1 657 59 LEU H H 7.22 0.02 1 658 59 LEU HA H 4.14 0.02 1 659 59 LEU HB2 H 1.78 0.02 2 660 59 LEU HB3 H 1.95 0.02 2 661 59 LEU HG H 1.86 0.02 1 662 59 LEU HD1 H 0.95 0.02 2 663 59 LEU HD2 H 0.88 0.02 2 664 59 LEU C C 178.6 0.2 1 665 59 LEU CA C 57.3 0.2 1 666 59 LEU CB C 41.2 0.2 1 667 59 LEU CG C 27.0 0.2 1 668 59 LEU CD1 C 24.9 0.02 2 669 59 LEU CD2 C 23.1 0.02 2 670 59 LEU N N 116.7 0.2 1 671 60 SER H H 7.74 0.02 1 672 60 SER HA H 4.32 0.02 1 673 60 SER HB2 H 4.00 0.02 1 674 60 SER HB3 H 4.00 0.02 1 675 60 SER C C 176.6 0.2 1 676 60 SER CA C 60.7 0.2 1 677 60 SER CB C 63.9 0.2 1 678 60 SER N N 113.5 0.2 1 679 61 ALA H H 7.65 0.02 1 680 61 ALA HA H 4.02 0.02 1 681 61 ALA HB H 1.47 0.02 1 682 61 ALA C C 179.6 0.2 1 683 61 ALA CA C 54.9 0.2 1 684 61 ALA CB C 18.3 0.2 1 685 61 ALA N N 122.2 0.2 1 686 62 LYS H H 7.51 0.02 1 687 62 LYS HA H 3.99 0.02 1 688 62 LYS HB2 H 1.60 0.02 2 689 62 LYS HB3 H 1.91 0.02 2 690 62 LYS HG2 H 0.67 0.02 2 691 62 LYS HG3 H 1.17 0.02 2 692 62 LYS HD2 H 1.48 0.02 1 693 62 LYS HD3 H 1.48 0.02 1 694 62 LYS HE2 H 2.80 0.02 1 695 62 LYS HE3 H 2.80 0.02 1 696 62 LYS C C 176.4 0.2 1 697 62 LYS CA C 58.1 0.2 1 698 62 LYS CB C 31.7 0.2 1 699 62 LYS CG C 23.5 0.2 1 700 62 LYS CD C 29.2 0.2 1 701 62 LYS CE C 42.1 0.2 1 702 62 LYS N N 115.0 0.2 1 703 63 TYR H H 7.43 0.02 1 704 63 TYR HA H 4.34 0.02 1 705 63 TYR HB2 H 2.67 0.02 2 706 63 TYR HB3 H 3.13 0.02 2 707 63 TYR HD1 H 6.98 0.02 1 708 63 TYR HD2 H 6.98 0.02 1 709 63 TYR HE1 H 6.76 0.02 1 710 63 TYR HE2 H 6.76 0.02 1 711 63 TYR C C 175.9 0.2 1 712 63 TYR CA C 58.5 0.2 1 713 63 TYR CB C 39.4 0.2 1 714 63 TYR CD1 C 132.7 0.02 1 715 63 TYR CD2 C 132.7 0.02 1 716 63 TYR CE1 C 118.6 0.02 1 717 63 TYR CE2 C 118.6 0.02 1 718 63 TYR N N 114.4 0.2 1 719 64 LYS H H 7.25 0.02 1 720 64 LYS HA H 4.12 0.02 1 721 64 LYS HB2 H 1.86 0.02 1 722 64 LYS HB3 H 1.86 0.02 1 723 64 LYS HG2 H 1.58 0.02 1 724 64 LYS HG3 H 1.58 0.02 1 725 64 LYS HD2 H 1.71 0.02 1 726 64 LYS HD3 H 1.71 0.02 1 727 64 LYS HE2 H 2.98 0.02 1 728 64 LYS HE3 H 2.98 0.02 1 729 64 LYS C C 176.3 0.2 1 730 64 LYS CA C 56.9 0.2 1 731 64 LYS CB C 33.0 0.2 1 732 64 LYS CG C 24.7 0.2 1 733 64 LYS CD C 28.5 0.2 1 734 64 LYS CE C 42.3 0.2 1 735 64 LYS N N 117.8 0.2 1 736 65 ASN H H 8.87 0.02 1 737 65 ASN HA H 4.44 0.02 1 738 65 ASN HB2 H 2.87 0.02 2 739 65 ASN HB3 H 3.02 0.02 2 740 65 ASN HD21 H 7.74 0.02 2 741 65 ASN HD22 H 6.99 0.02 2 742 65 ASN C C 174.2 0.2 1 743 65 ASN CA C 54.1 0.2 1 744 65 ASN CB C 37.6 0.2 1 745 65 ASN CG C 178.4 0.2 1 746 65 ASN N N 115.1 0.2 1 747 65 ASN ND2 N 114.3 0.2 1 748 66 ILE H H 8.16 0.02 1 749 66 ILE HA H 4.18 0.02 1 750 66 ILE HB H 1.62 0.02 1 751 66 ILE HG12 H 0.86 0.02 2 752 66 ILE HG13 H 1.50 0.02 2 753 66 ILE HG2 H 0.83 0.02 1 754 66 ILE HD1 H 0.79 0.02 1 755 66 ILE C C 175.6 0.2 1 756 66 ILE CA C 60.6 0.2 1 757 66 ILE CB C 39.5 0.2 1 758 66 ILE CG1 C 26.4 0.2 1 759 66 ILE CG2 C 17.7 0.2 1 760 66 ILE CD1 C 14.0 0.2 1 761 66 ILE N N 119.8 0.2 1 762 67 ALA H H 8.64 0.02 1 763 67 ALA HA H 4.18 0.02 1 764 67 ALA HB H 1.40 0.02 1 765 67 ALA C C 178.2 0.2 1 766 67 ALA CA C 53.6 0.2 1 767 67 ALA CB C 18.1 0.2 1 768 67 ALA N N 131.8 0.2 1 769 68 GLY H H 8.80 0.02 1 770 68 GLY HA2 H 3.73 0.02 2 771 68 GLY HA3 H 3.94 0.02 2 772 68 GLY C C 172.5 0.2 1 773 68 GLY CA C 45.7 0.2 1 774 68 GLY N N 107.2 0.2 1 775 69 VAL H H 7.75 0.02 1 776 69 VAL HA H 4.94 0.02 1 777 69 VAL HB H 2.11 0.02 1 778 69 VAL HG1 H 0.88 0.02 2 779 69 VAL HG2 H 0.82 0.02 2 780 69 VAL C C 174.9 0.2 1 781 69 VAL CA C 60.9 0.2 1 782 69 VAL CB C 34.3 0.2 1 783 69 VAL CG1 C 21.9 0.02 2 784 69 VAL CG2 C 23.2 0.02 2 785 69 VAL N N 119.3 0.2 1 786 70 GLU H H 8.78 0.02 1 787 70 GLU HA H 4.75 0.02 1 788 70 GLU HB2 H 1.87 0.02 2 789 70 GLU HB3 H 1.95 0.02 2 790 70 GLU HG2 H 2.13 0.02 2 791 70 GLU HG3 H 2.23 0.02 2 792 70 GLU C C 173.9 0.2 1 793 70 GLU CA C 54.8 0.2 1 794 70 GLU CB C 33.1 0.2 1 795 70 GLU CG C 36.1 0.2 1 796 70 GLU N N 127.0 0.2 1 797 71 GLU H H 8.94 0.02 1 798 71 GLU HA H 5.30 0.02 1 799 71 GLU HB2 H 1.20 0.02 2 800 71 GLU HB3 H 1.93 0.02 2 801 71 GLU HG2 H 2.05 0.02 1 802 71 GLU HG3 H 2.05 0.02 1 803 71 GLU C C 173.8 0.2 1 804 71 GLU CA C 54.5 0.2 1 805 71 GLU CB C 30.9 0.2 1 806 71 GLU CG C 33.8 0.2 1 807 71 GLU N N 127.6 0.2 1 808 72 LYS H H 8.64 0.02 1 809 72 LYS HA H 4.41 0.02 1 810 72 LYS HB2 H 1.73 0.02 1 811 72 LYS HB3 H 1.73 0.02 1 812 72 LYS HG2 H 1.64 0.02 1 813 72 LYS HG3 H 1.64 0.02 1 814 72 LYS HD2 H 1.37 0.02 1 815 72 LYS HD3 H 1.37 0.02 1 816 72 LYS HE2 H 2.91 0.02 1 817 72 LYS HE3 H 2.91 0.02 1 818 72 LYS C C 174.0 0.2 1 819 72 LYS CA C 56.1 0.2 1 820 72 LYS CB C 36.7 0.2 1 821 72 LYS CG C 28.9 0.2 1 822 72 LYS CD C 24.4 0.2 1 823 72 LYS CE C 42.0 0.2 1 824 72 LYS N N 123.9 0.2 1 825 73 LEU H H 8.61 0.02 1 826 73 LEU HA H 5.22 0.02 1 827 73 LEU HB2 H 1.31 0.02 2 828 73 LEU HB3 H 1.65 0.02 2 829 73 LEU HG H 1.40 0.02 1 830 73 LEU HD1 H 0.76 0.02 2 831 73 LEU HD2 H 0.70 0.02 2 832 73 LEU C C 176.3 0.2 1 833 73 LEU CA C 54.1 0.2 1 834 73 LEU CB C 44.8 0.2 1 835 73 LEU CG C 27.6 0.2 1 836 73 LEU CD1 C 25.1 0.02 2 837 73 LEU CD2 C 25.6 0.02 2 838 73 LEU N N 128.5 0.2 1 839 74 THR H H 8.88 0.02 1 840 74 THR HA H 4.55 0.02 1 841 74 THR HB H 4.12 0.02 1 842 74 THR HG2 H 1.11 0.02 1 843 74 THR C C 172.4 0.2 1 844 74 THR CA C 60.3 0.2 1 845 74 THR CB C 71.8 0.2 1 846 74 THR CG2 C 21.8 0.2 1 847 74 THR N N 116.7 0.2 1 848 75 TYR H H 8.82 0.02 1 849 75 TYR HA H 5.13 0.02 1 850 75 TYR HB2 H 2.80 0.02 2 851 75 TYR HB3 H 3.23 0.02 2 852 75 TYR HD1 H 7.08 0.02 1 853 75 TYR HD2 H 7.08 0.02 1 854 75 TYR HE1 H 6.56 0.02 1 855 75 TYR HE2 H 6.56 0.02 1 856 75 TYR C C 176.6 0.2 1 857 75 TYR CA C 58.1 0.2 1 858 75 TYR CB C 42.7 0.2 1 859 75 TYR CD1 C 132.9 0.02 1 860 75 TYR CD2 C 132.9 0.02 1 861 75 TYR CE1 C 117.4 0.02 1 862 75 TYR CE2 C 117.4 0.02 1 863 75 TYR N N 117.9 0.2 1 864 76 THR H H 8.59 0.02 1 865 76 THR HA H 4.64 0.02 1 866 76 THR HB H 4.35 0.02 1 867 76 THR HG2 H 0.72 0.02 1 868 76 THR C C 172.3 0.2 1 869 76 THR CA C 59.8 0.2 1 870 76 THR CB C 69.7 0.2 1 871 76 THR CG2 C 20.9 0.2 1 872 76 THR N N 115.6 0.2 1 873 77 ASP H H 8.17 0.02 1 874 77 ASP HA H 4.71 0.02 1 875 77 ASP HB2 H 2.68 0.02 2 876 77 ASP HB3 H 2.83 0.02 2 877 77 ASP C C 177.4 0.2 1 878 77 ASP CA C 56.1 0.2 1 879 77 ASP CB C 41.0 0.2 1 880 77 ASP N N 112.9 0.2 1 881 78 THR H H 7.54 0.02 1 882 78 THR HA H 4.20 0.02 1 883 78 THR HB H 4.30 0.02 1 884 78 THR HG2 H 1.09 0.02 1 885 78 THR C C 172.9 0.2 1 886 78 THR CA C 61.8 0.2 1 887 78 THR CB C 71.3 0.2 1 888 78 THR CG2 C 21.8 0.2 1 889 78 THR N N 104.8 0.2 1 890 79 TYR H H 6.56 0.02 1 891 79 TYR HA H 4.53 0.02 1 892 79 TYR HB2 H 2.58 0.02 2 893 79 TYR HB3 H 2.77 0.02 2 894 79 TYR HD1 H 6.73 0.02 1 895 79 TYR HD2 H 6.73 0.02 1 896 79 TYR HE1 H 6.68 0.02 1 897 79 TYR HE2 H 6.68 0.02 1 898 79 TYR C C 171.6 0.2 1 899 79 TYR CA C 56.9 0.2 1 900 79 TYR CB C 39.5 0.2 1 901 79 TYR CD1 C 134.0 0.02 1 902 79 TYR CD2 C 134.0 0.02 1 903 79 TYR CE1 C 117.8 0.02 1 904 79 TYR CE2 C 117.8 0.02 1 905 79 TYR N N 117.5 0.2 1 906 80 ALA H H 9.17 0.02 1 907 80 ALA HA H 5.18 0.02 1 908 80 ALA HB H 1.29 0.02 1 909 80 ALA C C 175.3 0.2 1 910 80 ALA CA C 49.2 0.2 1 911 80 ALA CB C 23.2 0.2 1 912 80 ALA N N 121.5 0.2 1 913 81 GLN H H 9.33 0.02 1 914 81 GLN HA H 5.46 0.02 1 915 81 GLN HB2 H 1.88 0.02 2 916 81 GLN HB3 H 1.96 0.02 2 917 81 GLN HG2 H 1.85 0.02 2 918 81 GLN HG3 H 2.04 0.02 2 919 81 GLN HE21 H 8.05 0.02 2 920 81 GLN HE22 H 6.61 0.02 2 921 81 GLN C C 173.7 0.2 1 922 81 GLN CA C 53.9 0.2 1 923 81 GLN CB C 32.7 0.2 1 924 81 GLN CG C 34.1 0.2 1 925 81 GLN CD C 179.1 0.2 1 926 81 GLN N N 123.2 0.2 1 927 81 GLN NE2 N 113.4 0.2 1 928 82 GLU H H 9.33 0.02 1 929 82 GLU HA H 5.21 0.02 1 930 82 GLU HB2 H 1.58 0.02 2 931 82 GLU HB3 H 2.12 0.02 2 932 82 GLU HG2 H 1.95 0.02 2 933 82 GLU HG3 H 2.17 0.02 2 934 82 GLU C C 175.2 0.2 1 935 82 GLU CA C 54.1 0.2 1 936 82 GLU CB C 31.7 0.2 1 937 82 GLU CG C 35.3 0.2 1 938 82 GLU N N 127.9 0.2 1 939 83 ASN H H 9.09 0.02 1 940 83 ASN HA H 5.79 0.02 1 941 83 ASN HB2 H 2.55 0.02 2 942 83 ASN HB3 H 2.73 0.02 2 943 83 ASN HD21 H 7.51 0.02 2 944 83 ASN HD22 H 7.47 0.02 2 945 83 ASN C C 173.9 0.2 1 946 83 ASN CA C 52.6 0.2 1 947 83 ASN CB C 40.9 0.2 1 948 83 ASN CG C 176.9 0.2 1 949 83 ASN N N 130.4 0.2 1 950 83 ASN ND2 N 112.7 0.2 1 951 84 VAL H H 8.68 0.02 1 952 84 VAL HA H 4.78 0.02 1 953 84 VAL HB H 1.84 0.02 1 954 84 VAL HG1 H 0.61 0.02 2 955 84 VAL HG2 H 0.35 0.02 2 956 84 VAL C C 175.6 0.2 1 957 84 VAL CA C 61.4 0.2 1 958 84 VAL CB C 34.8 0.2 1 959 84 VAL CG1 C 21.1 0.02 2 960 84 VAL CG2 C 20.8 0.02 2 961 84 VAL N N 123.8 0.2 1 962 85 THR H H 9.29 0.02 1 963 85 THR HA H 5.15 0.02 1 964 85 THR HB H 3.98 0.02 1 965 85 THR HG2 H 1.12 0.02 1 966 85 THR C C 173.0 0.2 1 967 85 THR CA C 61.9 0.2 1 968 85 THR CB C 71.0 0.2 1 969 85 THR CG2 C 21.6 0.2 1 970 85 THR N N 124.4 0.2 1 971 86 ILE H H 9.31 0.02 1 972 86 ILE HA H 4.69 0.02 1 973 86 ILE HB H 1.78 0.02 1 974 86 ILE HG12 H 0.93 0.02 2 975 86 ILE HG13 H 1.58 0.02 2 976 86 ILE HG2 H 0.73 0.02 1 977 86 ILE HD1 H 0.75 0.02 1 978 86 ILE C C 174.3 0.2 1 979 86 ILE CA C 60.5 0.2 1 980 86 ILE CB C 41.4 0.2 1 981 86 ILE CG1 C 27.4 0.2 1 982 86 ILE CG2 C 18.1 0.2 1 983 86 ILE CD1 C 14.0 0.2 1 984 86 ILE N N 126.5 0.2 1 985 87 ASP H H 9.03 0.02 1 986 87 ASP HA H 4.80 0.02 1 987 87 ASP HB2 H 2.53 0.02 2 988 87 ASP HB3 H 3.02 0.02 2 989 87 ASP C C 176.9 0.2 1 990 87 ASP CA C 53.2 0.2 1 991 87 ASP CB C 40.8 0.2 1 992 87 ASP N N 126.7 0.2 1 993 88 MET H H 8.29 0.02 1 994 88 MET HA H 4.33 0.02 1 995 88 MET HB2 H 2.07 0.02 2 996 88 MET HB3 H 2.24 0.02 2 997 88 MET HG2 H 2.33 0.02 2 998 88 MET HG3 H 2.56 0.02 2 999 88 MET HE H 1.98 0.02 1 1000 88 MET C C 177.8 0.2 1 1001 88 MET CA C 56.5 0.2 1 1002 88 MET CB C 31.3 0.2 1 1003 88 MET CG C 33.6 0.2 1 1004 88 MET CE C 18.1 0.2 1 1005 88 MET N N 123.1 0.2 1 1006 89 GLU H H 8.68 0.02 1 1007 89 GLU HA H 4.41 0.02 1 1008 89 GLU HB2 H 2.15 0.02 2 1009 89 GLU HB3 H 2.27 0.02 2 1010 89 GLU HG2 H 2.19 0.02 2 1011 89 GLU HG3 H 2.47 0.02 2 1012 89 GLU C C 177.0 0.2 1 1013 89 GLU CA C 57.7 0.2 1 1014 89 GLU CB C 30.3 0.2 1 1015 89 GLU CG C 37.5 0.2 1 1016 89 GLU N N 116.9 0.2 1 1017 90 LYS H H 7.26 0.02 1 1018 90 LYS HA H 4.43 0.02 1 1019 90 LYS HB2 H 1.52 0.02 2 1020 90 LYS HB3 H 1.77 0.02 2 1021 90 LYS HG2 H 1.63 0.02 1 1022 90 LYS HG3 H 1.63 0.02 1 1023 90 LYS HD2 H 1.29 0.02 2 1024 90 LYS HD3 H 1.35 0.02 2 1025 90 LYS HE2 H 2.95 0.02 1 1026 90 LYS HE3 H 2.95 0.02 1 1027 90 LYS C C 176.1 0.2 1 1028 90 LYS CA C 55.8 0.2 1 1029 90 LYS CB C 36.1 0.2 1 1030 90 LYS CG C 28.7 0.2 1 1031 90 LYS CD C 25.1 0.2 1 1032 90 LYS CE C 42.1 0.2 1 1033 90 LYS N N 116.8 0.2 1 1034 91 VAL H H 7.58 0.02 1 1035 91 VAL HA H 4.21 0.02 1 1036 91 VAL HB H 1.96 0.02 1 1037 91 VAL HG1 H 0.54 0.02 2 1038 91 VAL HG2 H 0.78 0.02 2 1039 91 VAL C C 173.1 0.2 1 1040 91 VAL CA C 61.2 0.2 1 1041 91 VAL CB C 32.3 0.2 1 1042 91 VAL CG1 C 20.5 0.02 2 1043 91 VAL CG2 C 21.3 0.02 2 1044 91 VAL N N 119.0 0.2 1 1045 92 ASP H H 8.25 0.02 1 1046 92 ASP HA H 4.68 0.02 1 1047 92 ASP HB2 H 2.71 0.02 2 1048 92 ASP HB3 H 2.82 0.02 2 1049 92 ASP C C 177.3 0.2 1 1050 92 ASP CA C 52.7 0.2 1 1051 92 ASP CB C 41.4 0.2 1 1052 92 ASP N N 125.5 0.2 1 1053 93 PHE H H 8.83 0.02 1 1054 93 PHE HA H 4.08 0.02 1 1055 93 PHE HB2 H 3.06 0.02 1 1056 93 PHE HB3 H 3.06 0.02 1 1057 93 PHE HD1 H 7.21 0.02 1 1058 93 PHE HD2 H 7.21 0.02 1 1059 93 PHE HE1 H 7.26 0.02 1 1060 93 PHE HE2 H 7.26 0.02 1 1061 93 PHE HZ H 7.28 0.02 1 1062 93 PHE C C 178.0 0.2 1 1063 93 PHE CA C 61.9 0.2 1 1064 93 PHE CB C 38.6 0.2 1 1065 93 PHE CD1 C 131.1 0.02 1 1066 93 PHE CD2 C 131.1 0.02 1 1067 93 PHE CE1 C 131.4 0.02 1 1068 93 PHE CE2 C 131.4 0.02 1 1069 93 PHE CZ C 129.9 0.2 1 1070 93 PHE N N 126.4 0.2 1 1071 94 LYS H H 8.34 0.02 1 1072 94 LYS HA H 4.04 0.02 1 1073 94 LYS HB2 H 1.86 0.02 1 1074 94 LYS HB3 H 1.86 0.02 1 1075 94 LYS HG2 H 1.71 0.02 1 1076 94 LYS HG3 H 1.71 0.02 1 1077 94 LYS HD2 H 1.42 0.02 1 1078 94 LYS HD3 H 1.42 0.02 1 1079 94 LYS HE2 H 3.01 0.02 1 1080 94 LYS HE3 H 3.01 0.02 1 1081 94 LYS C C 178.9 0.2 1 1082 94 LYS CA C 59.2 0.2 1 1083 94 LYS CB C 31.4 0.2 1 1084 94 LYS CG C 28.7 0.2 1 1085 94 LYS CD C 24.7 0.2 1 1086 94 LYS CE C 41.7 0.2 1 1087 94 LYS N N 119.2 0.2 1 1088 95 ALA H H 7.73 0.02 1 1089 95 ALA HA H 4.23 0.02 1 1090 95 ALA HB H 1.50 0.02 1 1091 95 ALA C C 179.4 0.2 1 1092 95 ALA CA C 53.5 0.2 1 1093 95 ALA CB C 18.5 0.2 1 1094 95 ALA N N 121.6 0.2 1 1095 96 LEU H H 7.66 0.02 1 1096 96 LEU HA H 3.99 0.02 1 1097 96 LEU HB2 H 1.60 0.02 2 1098 96 LEU HB3 H 1.72 0.02 2 1099 96 LEU HG H 1.56 0.02 1 1100 96 LEU HD1 H 0.78 0.02 2 1101 96 LEU HD2 H 0.75 0.02 2 1102 96 LEU C C 178.3 0.2 1 1103 96 LEU CA C 56.6 0.2 1 1104 96 LEU CB C 42.1 0.2 1 1105 96 LEU CG C 26.9 0.2 1 1106 96 LEU CD1 C 24.4 0.02 2 1107 96 LEU CD2 C 22.4 0.02 2 1108 96 LEU N N 117.0 0.2 1 1109 97 GLN H H 7.94 0.02 1 1110 97 GLN HA H 4.02 0.02 1 1111 97 GLN HB2 H 2.07 0.02 1 1112 97 GLN HB3 H 2.07 0.02 1 1113 97 GLN HG2 H 2.33 0.02 1 1114 97 GLN HG3 H 2.33 0.02 1 1115 97 GLN HE21 H 7.46 0.02 2 1116 97 GLN HE22 H 6.89 0.02 2 1117 97 GLN C C 177.8 0.2 1 1118 97 GLN CA C 58.6 0.2 1 1119 97 GLN CB C 28.4 0.2 1 1120 97 GLN CG C 33.8 0.2 1 1121 97 GLN CD C 180.0 0.2 1 1122 97 GLN N N 119.4 0.2 1 1123 97 GLN NE2 N 111.9 0.2 1 1124 98 GLY H H 8.17 0.02 1 1125 98 GLY HA2 H 3.91 0.02 1 1126 98 GLY HA3 H 3.91 0.02 1 1127 98 GLY C C 174.7 0.2 1 1128 98 GLY CA C 45.9 0.2 1 1129 98 GLY N N 107.2 0.2 1 1130 99 ILE H H 7.52 0.02 1 1131 99 ILE HA H 4.16 0.02 1 1132 99 ILE HB H 1.88 0.02 1 1133 99 ILE HG12 H 1.11 0.02 2 1134 99 ILE HG13 H 1.41 0.02 2 1135 99 ILE HG2 H 0.69 0.02 1 1136 99 ILE HD1 H 0.67 0.02 1 1137 99 ILE C C 175.8 0.2 1 1138 99 ILE CA C 61.7 0.2 1 1139 99 ILE CB C 38.8 0.2 1 1140 99 ILE CG1 C 26.9 0.2 1 1141 99 ILE CG2 C 17.8 0.2 1 1142 99 ILE CD1 C 14.2 0.2 1 1143 99 ILE N N 115.9 0.2 1 1144 100 SER H H 8.13 0.02 1 1145 100 SER HA H 4.46 0.02 1 1146 100 SER HB2 H 3.80 0.02 1 1147 100 SER HB3 H 3.80 0.02 1 1148 100 SER C C 174.8 0.2 1 1149 100 SER CA C 58.8 0.2 1 1150 100 SER CB C 64.6 0.2 1 1151 100 SER N N 116.6 0.2 1 1152 101 GLY H H 8.43 0.02 1 1153 101 GLY HA2 H 3.83 0.02 2 1154 101 GLY HA3 H 3.97 0.02 2 1155 101 GLY C C 173.8 0.2 1 1156 101 GLY CA C 45.6 0.2 1 1157 101 GLY N N 110.7 0.2 1 1158 102 ILE H H 7.63 0.02 1 1159 102 ILE HA H 4.09 0.02 1 1160 102 ILE HB H 1.72 0.02 1 1161 102 ILE HG12 H 1.01 0.02 2 1162 102 ILE HG13 H 1.33 0.02 2 1163 102 ILE HG2 H 0.74 0.02 1 1164 102 ILE HD1 H 0.74 0.02 1 1165 102 ILE C C 174.8 0.2 1 1166 102 ILE CA C 60.6 0.2 1 1167 102 ILE CB C 38.6 0.2 1 1168 102 ILE CG1 C 27.1 0.2 1 1169 102 ILE CG2 C 17.5 0.2 1 1170 102 ILE CD1 C 13.4 0.2 1 1171 102 ILE N N 118.9 0.2 1 1172 103 ASN H H 8.53 0.02 1 1173 103 ASN HA H 4.72 0.02 1 1174 103 ASN HB2 H 2.61 0.02 2 1175 103 ASN HB3 H 2.73 0.02 2 1176 103 ASN HD21 H 7.50 0.02 2 1177 103 ASN HD22 H 6.81 0.02 2 1178 103 ASN C C 177.9 0.2 1 1179 103 ASN CA C 53.0 0.2 1 1180 103 ASN CB C 38.9 0.2 1 1181 103 ASN CG C 176.9 0.2 1 1182 103 ASN N N 123.3 0.2 1 1183 103 ASN ND2 N 112.2 0.2 1 1184 104 VAL H H 7.85 0.02 1 1185 104 VAL HA H 4.26 0.02 1 1186 104 VAL HB H 1.96 0.02 1 1187 104 VAL HG1 H 0.54 0.02 2 1188 104 VAL HG2 H 0.77 0.02 2 1189 104 VAL C C 174.8 0.2 1 1190 104 VAL CA C 60.8 0.2 1 1191 104 VAL CB C 33.8 0.2 1 1192 104 VAL CG1 C 20.8 0.02 2 1193 104 VAL CG2 C 20.2 0.02 2 1194 104 VAL N N 119.9 0.2 1 1195 105 SER H H 8.86 0.02 1 1196 105 SER HA H 4.45 0.02 1 1197 105 SER HB2 H 3.88 0.02 2 1198 105 SER HB3 H 4.09 0.02 2 1199 105 SER C C 174.5 0.2 1 1200 105 SER CA C 57.3 0.2 1 1201 105 SER CB C 64.8 0.2 1 1202 105 SER N N 120.3 0.2 1 1203 106 ALA H H 8.72 0.02 1 1204 106 ALA HA H 3.92 0.02 1 1205 106 ALA HB H 1.32 0.02 1 1206 106 ALA C C 179.5 0.2 1 1207 106 ALA CA C 54.4 0.2 1 1208 106 ALA CB C 18.4 0.2 1 1209 106 ALA N N 124.8 0.2 1 1210 107 GLU H H 8.44 0.02 1 1211 107 GLU HA H 4.00 0.02 1 1212 107 GLU HB2 H 1.92 0.02 1 1213 107 GLU HB3 H 1.92 0.02 1 1214 107 GLU HG2 H 2.24 0.02 2 1215 107 GLU HG3 H 2.27 0.02 2 1216 107 GLU C C 174.2 0.2 1 1217 107 GLU CA C 58.7 0.2 1 1218 107 GLU CB C 29.5 0.2 1 1219 107 GLU CG C 36.3 0.2 1 1220 107 GLU N N 117.6 0.2 1 1221 108 ASP H H 7.85 0.02 1 1222 108 ASP HA H 4.43 0.02 1 1223 108 ASP HB2 H 2.57 0.02 2 1224 108 ASP HB3 H 2.67 0.02 2 1225 108 ASP C C 177.5 0.2 1 1226 108 ASP CA C 55.8 0.2 1 1227 108 ASP CB C 40.6 0.2 1 1228 108 ASP N N 119.7 0.2 1 1229 109 ALA H H 8.09 0.02 1 1230 109 ALA HA H 3.76 0.02 1 1231 109 ALA HB H 1.12 0.02 1 1232 109 ALA C C 178.9 0.2 1 1233 109 ALA CA C 54.4 0.2 1 1234 109 ALA CB C 18.5 0.2 1 1235 109 ALA N N 122.7 0.2 1 1236 110 LYS H H 7.69 0.02 1 1237 110 LYS HA H 4.01 0.02 1 1238 110 LYS HB2 H 1.82 0.02 1 1239 110 LYS HB3 H 1.82 0.02 1 1240 110 LYS HG2 H 1.42 0.02 1 1241 110 LYS HG3 H 1.42 0.02 1 1242 110 LYS HD2 H 1.66 0.02 1 1243 110 LYS HD3 H 1.66 0.02 1 1244 110 LYS HE2 H 2.93 0.02 1 1245 110 LYS HE3 H 2.93 0.02 1 1246 110 LYS C C 177.6 0.2 1 1247 110 LYS CA C 58.1 0.2 1 1248 110 LYS CB C 32.4 0.2 1 1249 110 LYS CG C 24.8 0.2 1 1250 110 LYS CD C 28.9 0.2 1 1251 110 LYS CE C 42.1 0.2 1 1252 110 LYS N N 117.0 0.2 1 1253 111 LYS H H 7.65 0.02 1 1254 111 LYS HA H 4.18 0.02 1 1255 111 LYS HB2 H 1.85 0.02 1 1256 111 LYS HB3 H 1.85 0.02 1 1257 111 LYS HG2 H 1.44 0.02 1 1258 111 LYS HG3 H 1.44 0.02 1 1259 111 LYS HD2 H 1.67 0.02 1 1260 111 LYS HD3 H 1.67 0.02 1 1261 111 LYS HE2 H 2.95 0.02 1 1262 111 LYS HE3 H 2.95 0.02 1 1263 111 LYS C C 177.0 0.2 1 1264 111 LYS CA C 57.2 0.2 1 1265 111 LYS CB C 33.0 0.2 1 1266 111 LYS CG C 24.8 0.2 1 1267 111 LYS CD C 29.0 0.2 1 1268 111 LYS CE C 42.1 0.2 1 1269 111 LYS N N 117.9 0.2 1 1270 112 GLY H H 7.78 0.02 1 1271 112 GLY HA2 H 3.65 0.02 2 1272 112 GLY HA3 H 4.18 0.02 2 1273 112 GLY C C 172.5 0.2 1 1274 112 GLY CA C 44.5 0.2 1 1275 112 GLY N N 108.3 0.2 1 1276 113 ILE H H 8.67 0.02 1 1277 113 ILE HA H 4.35 0.02 1 1278 113 ILE HB H 1.73 0.02 1 1279 113 ILE HG12 H 1.14 0.02 2 1280 113 ILE HG13 H 1.46 0.02 2 1281 113 ILE HG2 H 0.84 0.02 1 1282 113 ILE HD1 H 0.69 0.02 1 1283 113 ILE C C 176.1 0.2 1 1284 113 ILE CA C 60.4 0.2 1 1285 113 ILE CB C 38.8 0.2 1 1286 113 ILE CG1 C 27.5 0.2 1 1287 113 ILE CG2 C 17.8 0.2 1 1288 113 ILE CD1 C 13.1 0.2 1 1289 113 ILE N N 122.8 0.2 1 1290 114 THR H H 8.28 0.02 1 1291 114 THR HA H 5.16 0.02 1 1292 114 THR HB H 4.66 0.02 1 1293 114 THR HG2 H 1.17 0.02 1 1294 114 THR C C 175.8 0.2 1 1295 114 THR CA C 59.3 0.2 1 1296 114 THR CB C 71.6 0.2 1 1297 114 THR CG2 C 21.7 0.2 1 1298 114 THR N N 116.8 0.2 1 1299 115 MET H H 8.46 0.02 1 1300 115 MET HA H 3.99 0.02 1 1301 115 MET HB2 H 1.17 0.02 2 1302 115 MET HB3 H 1.73 0.02 2 1303 115 MET HG2 H 1.46 0.02 1 1304 115 MET HG3 H 1.46 0.02 1 1305 115 MET HE H 1.56 0.02 1 1306 115 MET C C 178.2 0.2 1 1307 115 MET CA C 56.3 0.2 1 1308 115 MET CB C 31.8 0.2 1 1309 115 MET CG C 31.8 0.2 1 1310 115 MET CE C 18.0 0.2 1 1311 115 MET N N 122.3 0.2 1 1312 116 ALA H H 8.78 0.02 1 1313 116 ALA HA H 3.95 0.02 1 1314 116 ALA HB H 1.35 0.02 1 1315 116 ALA C C 181.0 0.2 1 1316 116 ALA CA C 55.3 0.2 1 1317 116 ALA CB C 18.1 0.2 1 1318 116 ALA N N 121.9 0.2 1 1319 117 GLN H H 7.65 0.02 1 1320 117 GLN HA H 3.96 0.02 1 1321 117 GLN HB2 H 1.94 0.02 2 1322 117 GLN HB3 H 2.20 0.02 2 1323 117 GLN HG2 H 2.29 0.02 1 1324 117 GLN HG3 H 2.29 0.02 1 1325 117 GLN HE21 H 7.37 0.02 2 1326 117 GLN HE22 H 6.81 0.02 2 1327 117 GLN C C 179.0 0.2 1 1328 117 GLN CA C 58.5 0.2 1 1329 117 GLN CB C 28.3 0.2 1 1330 117 GLN CG C 33.8 0.2 1 1331 117 GLN CD C 179.5 0.2 1 1332 117 GLN N N 117.2 0.2 1 1333 117 GLN NE2 N 110.6 0.2 1 1334 118 MET H H 7.88 0.02 1 1335 118 MET HA H 4.18 0.02 1 1336 118 MET HB2 H 1.33 0.02 2 1337 118 MET HB3 H 1.64 0.02 2 1338 118 MET HG2 H 1.91 0.02 2 1339 118 MET HG3 H 2.18 0.02 2 1340 118 MET HE H 1.86 0.02 1 1341 118 MET C C 178.6 0.2 1 1342 118 MET CA C 56.2 0.2 1 1343 118 MET CB C 29.8 0.2 1 1344 118 MET CG C 32.1 0.2 1 1345 118 MET CE C 17.4 0.2 1 1346 118 MET N N 118.8 0.2 1 1347 119 GLU H H 8.62 0.02 1 1348 119 GLU HA H 3.35 0.02 1 1349 119 GLU HB2 H 1.98 0.02 1 1350 119 GLU HB3 H 1.98 0.02 1 1351 119 GLU HG2 H 2.04 0.02 2 1352 119 GLU HG3 H 2.39 0.02 2 1353 119 GLU C C 179.1 0.2 1 1354 119 GLU CA C 60.3 0.2 1 1355 119 GLU CB C 29.2 0.2 1 1356 119 GLU CG C 37.3 0.2 1 1357 119 GLU N N 119.6 0.2 1 1358 120 LEU H H 7.17 0.02 1 1359 120 LEU HA H 4.05 0.02 1 1360 120 LEU HB2 H 1.56 0.02 2 1361 120 LEU HB3 H 1.90 0.02 2 1362 120 LEU HG H 1.75 0.02 1 1363 120 LEU HD1 H 0.88 0.02 2 1364 120 LEU HD2 H 0.86 0.02 2 1365 120 LEU C C 179.9 0.2 1 1366 120 LEU CA C 58.2 0.2 1 1367 120 LEU CB C 41.4 0.2 1 1368 120 LEU CG C 26.8 0.2 1 1369 120 LEU CD1 C 25.2 0.02 2 1370 120 LEU CD2 C 23.2 0.02 2 1371 120 LEU N N 119.8 0.2 1 1372 121 VAL H H 7.64 0.02 1 1373 121 VAL HA H 3.59 0.02 1 1374 121 VAL HB H 2.11 0.02 1 1375 121 VAL HG1 H 0.81 0.02 2 1376 121 VAL HG2 H 0.98 0.02 2 1377 121 VAL C C 179.0 0.2 1 1378 121 VAL CA C 66.3 0.2 1 1379 121 VAL CB C 31.6 0.2 1 1380 121 VAL CG1 C 21.1 0.02 2 1381 121 VAL CG2 C 22.3 0.02 2 1382 121 VAL N N 121.9 0.2 1 1383 122 MET H H 8.25 0.02 1 1384 122 MET HA H 3.96 0.02 1 1385 122 MET HB2 H 1.19 0.02 2 1386 122 MET HB3 H 1.70 0.02 2 1387 122 MET HG2 H 0.69 0.02 2 1388 122 MET HG3 H 1.98 0.02 2 1389 122 MET HE H 1.24 0.02 1 1390 122 MET C C 178.3 0.2 1 1391 122 MET CA C 57.6 0.2 1 1392 122 MET CB C 35.2 0.2 1 1393 122 MET CG C 31.4 0.2 1 1394 122 MET CE C 19.6 0.2 1 1395 122 MET N N 117.6 0.2 1 1396 123 LYS H H 7.96 0.02 1 1397 123 LYS HA H 4.27 0.02 1 1398 123 LYS HB2 H 1.98 0.02 1 1399 123 LYS HB3 H 1.98 0.02 1 1400 123 LYS HG2 H 1.64 0.02 1 1401 123 LYS HG3 H 1.64 0.02 1 1402 123 LYS HD2 H 1.75 0.02 1 1403 123 LYS HD3 H 1.75 0.02 1 1404 123 LYS HE2 H 3.03 0.02 1 1405 123 LYS HE3 H 3.03 0.02 1 1406 123 LYS C C 180.7 0.2 1 1407 123 LYS CA C 59.7 0.2 1 1408 123 LYS CB C 32.3 0.2 1 1409 123 LYS CG C 24.9 0.2 1 1410 123 LYS CD C 29.2 0.2 1 1411 123 LYS CE C 42.2 0.2 1 1412 123 LYS N N 119.4 0.2 1 1413 124 ALA H H 8.09 0.02 1 1414 124 ALA HA H 4.18 0.02 1 1415 124 ALA HB H 1.51 0.02 1 1416 124 ALA C C 178.7 0.2 1 1417 124 ALA CA C 54.7 0.2 1 1418 124 ALA CB C 18.0 0.2 1 1419 124 ALA N N 122.2 0.2 1 1420 125 ALA H H 7.75 0.02 1 1421 125 ALA HA H 4.49 0.02 1 1422 125 ALA HB H 1.65 0.02 1 1423 125 ALA C C 177.1 0.2 1 1424 125 ALA CA C 52.1 0.2 1 1425 125 ALA CB C 19.3 0.2 1 1426 125 ALA N N 117.6 0.2 1 1427 126 GLY H H 7.72 0.02 1 1428 126 GLY HA2 H 3.82 0.02 2 1429 126 GLY HA3 H 4.25 0.02 2 1430 126 GLY C C 174.9 0.2 1 1431 126 GLY CA C 45.4 0.2 1 1432 126 GLY N N 104.5 0.2 1 1433 127 PHE H H 8.45 0.02 1 1434 127 PHE HA H 4.67 0.02 1 1435 127 PHE HB2 H 2.87 0.02 2 1436 127 PHE HB3 H 3.25 0.02 2 1437 127 PHE HD1 H 7.00 0.02 1 1438 127 PHE HD2 H 7.00 0.02 1 1439 127 PHE HE1 H 7.09 0.02 1 1440 127 PHE HE2 H 7.09 0.02 1 1441 127 PHE HZ H 7.12 0.02 1 1442 127 PHE C C 176.0 0.2 1 1443 127 PHE CA C 57.7 0.2 1 1444 127 PHE CB C 41.7 0.2 1 1445 127 PHE CD1 C 131.6 0.02 1 1446 127 PHE CD2 C 131.6 0.02 1 1447 127 PHE CE1 C 131.5 0.02 1 1448 127 PHE CE2 C 131.5 0.02 1 1449 127 PHE CZ C 129.0 0.2 1 1450 127 PHE N N 119.6 0.2 1 1451 128 LYS H H 8.86 0.02 1 1452 128 LYS HA H 4.88 0.02 1 1453 128 LYS HB2 H 1.90 0.02 1 1454 128 LYS HB3 H 1.90 0.02 1 1455 128 LYS HG2 H 1.52 0.02 1 1456 128 LYS HG3 H 1.52 0.02 1 1457 128 LYS HD2 H 1.74 0.02 1 1458 128 LYS HD3 H 1.74 0.02 1 1459 128 LYS HE2 H 3.02 0.02 1 1460 128 LYS HE3 H 3.02 0.02 1 1461 128 LYS C C 175.7 0.2 1 1462 128 LYS CA C 54.6 0.2 1 1463 128 LYS CB C 35.5 0.2 1 1464 128 LYS CG C 24.6 0.2 1 1465 128 LYS CD C 29.0 0.2 1 1466 128 LYS CE C 42.2 0.2 1 1467 128 LYS N N 120.1 0.2 1 1468 129 GLU H H 9.16 0.02 1 1469 129 GLU HA H 4.00 0.02 1 1470 129 GLU HB2 H 1.68 0.02 1 1471 129 GLU HB3 H 1.68 0.02 1 1472 129 GLU HG2 H 1.81 0.02 1 1473 129 GLU HG3 H 1.81 0.02 1 1474 129 GLU C C 176.2 0.2 1 1475 129 GLU CA C 56.6 0.2 1 1476 129 GLU CB C 29.5 0.2 1 1477 129 GLU CG C 36.1 0.2 1 1478 129 GLU N N 125.8 0.2 1 1479 130 VAL H H 8.73 0.02 1 1480 130 VAL HA H 4.07 0.02 1 1481 130 VAL HB H 1.79 0.02 1 1482 130 VAL HG1 H 0.84 0.02 2 1483 130 VAL HG2 H 0.82 0.02 2 1484 130 VAL C C 175.1 0.2 1 1485 130 VAL CA C 61.4 0.2 1 1486 130 VAL CB C 32.8 0.2 1 1487 130 VAL CG1 C 21.1 0.02 2 1488 130 VAL CG2 C 20.6 0.02 2 1489 130 VAL N N 127.6 0.2 1 1490 131 LYS H H 8.52 0.02 1 1491 131 LYS HA H 4.30 0.02 1 1492 131 LYS HB2 H 1.69 0.02 1 1493 131 LYS HB3 H 1.69 0.02 1 1494 131 LYS HG2 H 1.32 0.02 1 1495 131 LYS HG3 H 1.32 0.02 1 1496 131 LYS HD2 H 1.59 0.02 1 1497 131 LYS HD3 H 1.59 0.02 1 1498 131 LYS HE2 H 2.92 0.02 1 1499 131 LYS HE3 H 2.92 0.02 1 1500 131 LYS C C 176.1 0.2 1 1501 131 LYS CA C 56.0 0.2 1 1502 131 LYS CB C 33.1 0.2 1 1503 131 LYS CG C 24.7 0.2 1 1504 131 LYS CD C 28.7 0.2 1 1505 131 LYS CE C 42.1 0.2 1 1506 131 LYS N N 126.7 0.2 1 1507 132 LEU H H 8.51 0.02 1 1508 132 LEU HA H 4.28 0.02 1 1509 132 LEU HB2 H 1.50 0.02 1 1510 132 LEU HB3 H 1.50 0.02 1 1511 132 LEU HG H 1.53 0.02 1 1512 132 LEU HD1 H 0.77 0.02 2 1513 132 LEU HD2 H 0.84 0.02 2 1514 132 LEU C C 176.8 0.2 1 1515 132 LEU CA C 54.8 0.2 1 1516 132 LEU CB C 42.6 0.2 1 1517 132 LEU CG C 26.9 0.2 1 1518 132 LEU CD1 C 23.3 0.02 2 1519 132 LEU CD2 C 24.9 0.02 2 1520 132 LEU N N 124.9 0.2 1 1521 133 GLU H H 8.43 0.02 1 1522 133 GLU HA H 4.20 0.02 1 1523 133 GLU HB2 H 1.83 0.02 1 1524 133 GLU HB3 H 1.83 0.02 1 1525 133 GLU HG2 H 2.10 0.02 2 1526 133 GLU HG3 H 2.17 0.02 2 1527 133 GLU CA C 56.2 0.2 1 1528 133 GLU CB C 30.6 0.2 1 1529 133 GLU CG C 36.0 0.2 1 1530 133 GLU N N 122.1 0.2 1 1531 134 HIS H H 8.57 0.02 1 1532 134 HIS HA H 4.61 0.02 1 1533 134 HIS HB2 H 3.04 0.02 1 1534 134 HIS HB3 H 3.04 0.02 1 1535 134 HIS CA C 55.6 0.2 1 1536 134 HIS CB C 29.8 0.2 1 1537 134 HIS N N 120.1 0.2 1 1538 135 HIS H H 8.34 0.02 1 1539 135 HIS HA H 4.60 0.02 1 1540 135 HIS HB2 H 3.14 0.02 1 1541 135 HIS HB3 H 3.14 0.02 1 1542 135 HIS CA C 55.8 0.2 1 1543 135 HIS CB C 29.8 0.2 1 1544 135 HIS N N 119.8 0.2 1 1545 136 HIS H H 8.33 0.02 1 1546 136 HIS HA H 4.41 0.02 1 1547 136 HIS HB2 H 3.08 0.02 1 1548 136 HIS HB3 H 3.08 0.02 1 1549 136 HIS CA C 57.2 0.2 1 1550 136 HIS CB C 29.8 0.2 1 1551 136 HIS N N 119.8 0.2 1 1552 137 HIS H H 8.34 0.02 1 1553 137 HIS HA H 4.41 0.02 1 1554 137 HIS HB2 H 3.18 0.02 1 1555 137 HIS HB3 H 3.18 0.02 1 1556 137 HIS CA C 57.2 0.2 1 1557 137 HIS CB C 29.8 0.2 1 1558 137 HIS N N 119.8 0.2 1 1559 138 HIS H H 8.51 0.02 1 1560 138 HIS HA H 4.58 0.02 1 1561 138 HIS HB2 H 3.01 0.02 1 1562 138 HIS HB3 H 3.01 0.02 1 1563 138 HIS CA C 55.6 0.2 1 1564 138 HIS CB C 29.8 0.2 1 1565 138 HIS N N 120.2 0.2 1 1566 139 HIS H H 8.51 0.02 1 1567 139 HIS HA H 4.58 0.02 1 1568 139 HIS HB2 H 3.06 0.02 1 1569 139 HIS HB3 H 3.06 0.02 1 1570 139 HIS CA C 55.6 0.2 1 1571 139 HIS CB C 29.8 0.2 1 1572 139 HIS N N 120.2 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 N N 2 H H 3 H HN stop_ _Sample_label $sample_2 _Sample_conditions_label $sample_conditions_1 _Text_data_format text _Text_data ; w1 w2 w3 Data Height 120.421 4.890 9.654 3137096 122.904 1.140 9.563 4128760 120.582 2.693 9.653 1956547 115.019 4.699 9.509 2340471 123.157 7.086 9.329 2405280 123.066 4.901 9.342 3915930 123.066 1.421 9.342 6597128 114.890 4.893 9.328 2741711 125.858 7.219 9.159 2076694 125.861 7.074 9.157 3188154 120.018 7.341 9.145 1657083 122.191 5.126 8.972 3811715 116.720 4.911 8.886 1800300 125.647 7.092 8.856 2217364 123.885 4.903 8.825 2645442 123.863 5.465 8.823 1757501 120.168 9.514 8.854 5976365 120.187 7.047 8.853 2919149 120.232 3.122 8.856 2062254 120.193 0.298 8.852 4953589 120.129 5.441 8.850 1632284 121.938 1.821 8.781 6246176 123.793 5.636 8.686 2772820 120.790 4.900 8.671 20398256 115.717 1.345 8.598 5041462 121.783 0.954 8.497 2416662 122.265 4.905 8.438 3821502 120.206 8.689 8.446 3534528 111.574 6.598 8.340 3349336 116.844 4.907 8.279 2113307 107.196 1.920 8.173 1447018 113.021 1.367 8.171 4107387 116.695 4.902 8.134 2541350 122.776 1.477 8.092 2503772 119.563 1.534 7.935 7337529 119.497 7.533 7.968 2399574 117.701 7.007 7.748 2577564 117.344 4.900 7.777 4883440 117.223 4.899 7.663 3550594 108.432 7.279 7.787 2384140 104.505 7.004 7.718 2341334 110.540 0.858 7.690 1928296 119.861 4.896 7.636 4941072 118.994 0.845 7.580 9289468 104.941 4.899 7.545 3328390 104.929 1.360 7.545 6102982 115.102 6.796 7.510 1666797 114.768 6.946 7.479 1229476 114.499 6.768 7.431 2184224 114.054 4.901 7.429 2493990 116.878 3.984 7.259 1928208 116.872 0.731 7.226 1625015 117.878 0.800 7.249 3740740 119.858 1.775 7.179 15176851 117.583 1.359 6.561 11192273 117.579 4.900 6.563 4151448 117.593 7.342 6.561 1987859 126.882 3.750 9.032 1840852 124.266 4.293 8.492 2181323 119.380 2.653 7.856 1029201 110.519 1.183 7.371 1353870 110.915 3.735 6.636 1568008 112.203 0.779 7.497 2233925 112.276 0.767 6.808 1725104 120.134 4.898 8.575 62564232 119.997 4.601 8.341 2880048 119.882 4.013 8.341 4500950 119.945 2.510 8.341 1857791 120.406 5.792 9.650 2343721 122.087 1.764 7.645 3210186 119.401 1.611 7.760 4702013 127.052 0.614 8.777 2451702 130.452 0.724 9.094 2905495 124.485 0.907 9.294 2559808 125.519 0.850 8.247 12925552 107.217 0.731 8.173 2493494 108.446 1.142 7.792 2457688 119.676 0.813 8.628 1488396 117.705 1.985 7.757 2345676 119.617 1.967 8.450 1663476 119.945 2.647 8.342 1405151 119.962 8.678 8.344 2073075 119.875 1.872 8.343 1716724 122.210 8.348 8.975 1738094 122.215 9.359 8.970 1505737 115.018 8.728 9.510 2081752 122.725 9.252 9.128 6383336 123.212 9.160 9.251 9521086 127.027 9.647 9.634 9089911 124.606 5.174 8.472 7357751 120.225 4.652 8.440 52887072 120.244 2.518 8.438 4605614 120.224 2.671 8.439 10739515 120.122 4.361 8.439 18909188 120.218 1.770 8.440 26709056 120.236 1.397 8.440 15675453 120.117 1.246 8.446 2481279 121.724 1.394 8.497 5889441 121.733 1.998 8.497 7109826 121.739 2.136 8.497 13785752 121.773 8.720 8.498 2849282 121.711 2.908 8.498 2505768 121.760 1.248 8.497 2018682 121.735 4.364 8.497 71690944 121.737 1.807 8.497 47818584 124.756 4.374 8.720 36267316 124.752 0.813 8.722 10562936 124.754 2.030 8.721 10627255 124.759 0.953 8.720 4981435 124.787 9.342 8.719 5368193 124.757 4.613 8.718 2852841 124.708 1.557 8.720 1948958 124.742 4.448 8.729 42363984 124.772 1.793 8.718 15665570 111.598 8.721 8.343 2641958 111.574 4.487 8.342 35151728 111.572 0.812 8.343 9685547 111.572 1.765 8.342 17050332 111.575 2.041 8.343 7847258 111.568 6.057 8.343 8389325 111.573 3.677 8.342 11525901 111.552 8.972 8.343 1650678 122.197 6.057 8.972 21179454 122.197 3.676 8.972 9764650 122.208 4.697 8.972 5714928 122.213 1.773 8.973 4237864 122.191 1.870 8.970 4674035 122.199 1.602 8.975 2925594 122.188 1.091 8.973 5167756 122.177 9.525 8.972 5420518 122.197 2.861 8.972 2836600 122.228 0.953 8.972 2119575 122.193 6.970 8.973 2930880 122.208 6.598 8.973 5107514 122.214 1.468 8.973 2085350 125.611 1.466 8.865 6383932 125.630 5.591 8.863 3997165 125.644 1.650 8.861 15005852 125.626 0.860 8.862 4033363 125.659 4.729 8.859 34996304 125.653 1.732 8.860 19291372 125.645 9.557 8.867 1616534 122.915 5.589 9.563 13507486 122.896 1.629 9.566 2871016 122.924 1.719 9.566 2894386 122.923 1.406 9.562 5902879 122.902 2.887 9.564 4665824 122.912 3.114 9.562 2540312 122.906 7.067 9.563 5870401 122.912 5.182 9.564 3555848 122.913 0.832 9.568 1807281 115.023 5.446 9.511 17373856 115.018 2.886 9.511 5104860 115.011 3.117 9.511 4298665 115.036 7.043 9.510 4555573 115.013 5.930 9.512 4620911 115.021 3.686 9.512 4786184 115.021 8.855 9.512 8099338 114.957 5.602 9.509 1474202 114.993 1.819 9.510 2234594 115.024 0.831 9.511 7309171 115.014 3.997 9.511 7257819 123.548 7.101 8.866 3356343 123.544 7.023 8.865 2724085 123.524 9.519 8.862 2725210 123.521 5.932 8.863 24739538 123.501 3.685 8.864 5204850 123.570 3.987 8.863 9157818 123.530 4.365 8.862 7636158 123.514 0.296 8.863 8894286 123.531 8.440 8.863 2628138 123.565 0.836 8.860 1800406 123.549 4.736 8.861 1890461 123.498 1.720 8.862 2792370 123.507 1.043 8.865 2390224 123.514 5.639 8.864 4832884 123.523 1.393 8.864 2233970 119.281 0.296 8.438 20704404 119.269 5.181 8.439 9004436 119.354 2.533 8.439 10256134 119.285 2.765 8.437 11592264 119.304 0.809 8.439 2889026 119.344 8.858 8.442 4376464 110.930 8.418 7.510 1690226 110.939 8.413 6.635 1092703 110.886 5.183 7.511 1496996 110.974 5.168 6.633 1024546 110.903 2.527 7.512 6248991 110.898 2.523 6.635 4938681 110.862 2.765 7.512 3944231 110.901 2.766 6.635 2658072 110.904 7.514 6.634 70856408 110.903 6.635 7.512 73278552 110.907 4.768 7.512 1070528 110.825 2.094 7.513 1796494 110.860 2.092 6.632 1611156 110.880 2.198 6.634 1295102 124.639 0.299 8.420 2191358 124.626 5.181 8.420 35663648 124.612 2.529 8.421 3625616 124.594 2.762 8.419 3269066 124.625 4.646 8.421 11066928 124.640 0.810 8.422 8459916 124.638 1.386 8.420 9309587 124.658 9.344 8.421 2327363 124.626 7.777 8.419 7167100 124.602 4.157 8.418 3532344 124.640 1.143 8.420 3098240 124.654 8.855 8.418 2714024 124.645 1.551 8.420 11937252 123.056 4.641 9.342 39890552 123.081 0.806 9.339 9295352 123.069 1.538 9.342 3990493 123.055 4.398 9.342 47257104 123.077 2.747 9.342 6764126 123.049 3.056 9.342 5355033 123.046 8.382 9.342 12052542 123.061 7.762 9.342 2756155 113.483 0.817 6.995 1769763 113.502 2.744 7.739 10994983 113.517 2.745 6.994 5901566 113.501 3.051 7.739 4979305 113.485 3.058 6.994 2256311 113.524 7.741 6.994 144354016 113.526 6.996 7.739 135683808 105.856 4.648 8.374 4328705 105.848 9.342 8.373 10837468 105.849 3.058 8.372 2568994 105.846 3.730 8.373 27189472 105.850 7.778 8.373 14123294 105.857 4.160 8.375 2554016 105.851 4.350 8.373 25317856 105.861 2.746 8.371 3051180 117.326 5.190 7.776 3316136 117.297 9.340 7.775 2064607 117.368 2.748 7.776 2492763 117.290 3.054 7.777 1747924 117.352 3.729 7.777 8244812 117.345 4.325 7.776 8569283 117.329 4.689 7.776 14913765 117.324 1.149 7.776 10790637 117.368 8.207 7.776 4067570 117.350 4.154 7.776 28864584 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