data_15063 save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the mouse thiamine triphosphatase ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Song Jikui . . 2 Markley John L. . stop_ _BMRB_accession_number 15063 _BMRB_flat_file_name bmr15063.str _Entry_type new _Submission_date 2006-12-05 _Accession_date 2006-12-05 _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 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1378 "13C chemical shifts" 876 "15N chemical shifts" 229 stop_ save_ save_citations _Saveframe_category entry_citation _Citation_title "NMR structure of the mouse thiamine triphosphatase" _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 Song Jikui . . 2 Markley John L. . stop_ _Journal_abbreviation ? _Journal_name_full ? _Journal_volume ? _Journal_issue ? _Journal_CSD ? _Page_first ? _Page_last ? _Year ? save_ save_assembly _Saveframe_category molecular_system _Mol_system_name ThTPase_mouse _Abbreviation_common ThTPase_mouse loop_ _Mol_system_component_name _Mol_label "ThTPase mouse" $ThTPase_MOUSE stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no save_ save_ThTPase_MOUSE _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ThTPase_MOUSE _Molecular_mass 24253.369 _Mol_thiol_state "all free" loop_ _Biological_function "thiamine triphosphatase" stop_ _Residue_count 224 _Mol_residue_sequence ; SAQGLIEVERKFAPGPDTEE RLQELGATLEHRVTFRDTYY DTSELSLMLSDHWLRQREGS GWELKCPGVTGVSGPHNEYV EVTSEAAIVAQLFELLGSGE QKPAGVAAVLGSLKLQEVAS FITTRSSWKLALSGAHGQEP QLTIDLDSADFGYAVGEVEA MVHEKAEVPAALEKIITVSS MLGVPAQEEAPAKLMVYLQR FRPLDYQRLLEAASSGEATG DSAS ; loop_ _Residue_seq_code _Residue_label 1 SER 2 ALA 3 GLN 4 GLY 5 LEU 6 ILE 7 GLU 8 VAL 9 GLU 10 ARG 11 LYS 12 PHE 13 ALA 14 PRO 15 GLY 16 PRO 17 ASP 18 THR 19 GLU 20 GLU 21 ARG 22 LEU 23 GLN 24 GLU 25 LEU 26 GLY 27 ALA 28 THR 29 LEU 30 GLU 31 HIS 32 ARG 33 VAL 34 THR 35 PHE 36 ARG 37 ASP 38 THR 39 TYR 40 TYR 41 ASP 42 THR 43 SER 44 GLU 45 LEU 46 SER 47 LEU 48 MET 49 LEU 50 SER 51 ASP 52 HIS 53 TRP 54 LEU 55 ARG 56 GLN 57 ARG 58 GLU 59 GLY 60 SER 61 GLY 62 TRP 63 GLU 64 LEU 65 LYS 66 CYS 67 PRO 68 GLY 69 VAL 70 THR 71 GLY 72 VAL 73 SER 74 GLY 75 PRO 76 HIS 77 ASN 78 GLU 79 TYR 80 VAL 81 GLU 82 VAL 83 THR 84 SER 85 GLU 86 ALA 87 ALA 88 ILE 89 VAL 90 ALA 91 GLN 92 LEU 93 PHE 94 GLU 95 LEU 96 LEU 97 GLY 98 SER 99 GLY 100 GLU 101 GLN 102 LYS 103 PRO 104 ALA 105 GLY 106 VAL 107 ALA 108 ALA 109 VAL 110 LEU 111 GLY 112 SER 113 LEU 114 LYS 115 LEU 116 GLN 117 GLU 118 VAL 119 ALA 120 SER 121 PHE 122 ILE 123 THR 124 THR 125 ARG 126 SER 127 SER 128 TRP 129 LYS 130 LEU 131 ALA 132 LEU 133 SER 134 GLY 135 ALA 136 HIS 137 GLY 138 GLN 139 GLU 140 PRO 141 GLN 142 LEU 143 THR 144 ILE 145 ASP 146 LEU 147 ASP 148 SER 149 ALA 150 ASP 151 PHE 152 GLY 153 TYR 154 ALA 155 VAL 156 GLY 157 GLU 158 VAL 159 GLU 160 ALA 161 MET 162 VAL 163 HIS 164 GLU 165 LYS 166 ALA 167 GLU 168 VAL 169 PRO 170 ALA 171 ALA 172 LEU 173 GLU 174 LYS 175 ILE 176 ILE 177 THR 178 VAL 179 SER 180 SER 181 MET 182 LEU 183 GLY 184 VAL 185 PRO 186 ALA 187 GLN 188 GLU 189 GLU 190 ALA 191 PRO 192 ALA 193 LYS 194 LEU 195 MET 196 VAL 197 TYR 198 LEU 199 GLN 200 ARG 201 PHE 202 ARG 203 PRO 204 LEU 205 ASP 206 TYR 207 GLN 208 ARG 209 LEU 210 LEU 211 GLU 212 ALA 213 ALA 214 SER 215 SER 216 GLY 217 GLU 218 ALA 219 THR 220 GLY 221 ASP 222 SER 223 ALA 224 SER stop_ save_ save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $ThTPase_MOUSE "house mouse" 10090 Eukaryota Metazoa Mus musculus "ThTPase_mouse, BC025562" stop_ save_ save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $ThTPase_MOUSE "recombinant technology" ? ? ? "Rossetta(DE3) pLysS" PVP13 stop_ save_ save_sample _Saveframe_category sample _Sample_type solution _Details "10 mM MOPS,100mM NaCl, 1.0 mM 13C,15N-LABELED ThTPase_MOUSE" loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ThTPase_MOUSE 1.0 mM "[U-100% 13C; U-100% 15N]" MOPS 10 mM "natural abundance" NaCl 100 mM "natural abundance" stop_ save_ save_Xplor-NIH _Saveframe_category software _Name Xplor-NIH _Version 2.9.3 loop_ _Vendor _Address _Electronic_address SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. ? ? stop_ loop_ _Task refinement stop_ save_ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker ? ? stop_ loop_ _Task collection stop_ save_ save_nmrPipe _Saveframe_category software _Name nmrPipe _Version 97.027.12.56 loop_ _Vendor _Address _Electronic_address "Delagio,F. et al." ? ? stop_ loop_ _Task processing stop_ save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address "Goddard,T.D. and Kneller,D.G." ? ? stop_ loop_ _Task "data analysis" stop_ save_ save_GARANT _Saveframe_category software _Name GARANT _Version 2.1 loop_ _Vendor _Address _Electronic_address "Bartels,C. et al" ? ? stop_ loop_ _Task "data analysis" stop_ save_ save_Cyana _Saveframe_category software _Name Cyana _Version 2.1 loop_ _Vendor _Address _Electronic_address "Guntert,P. et al" ? ? stop_ loop_ _Task "structural calculation" stop_ save_ save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 save_ save_1H,15N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H,15N-HSQC _Sample_label $sample save_ save_1H,13C-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name 1H,13C-HSQC _Sample_label $sample save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample save_ save_1H,13C-HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name 1H,13C-HSQC _Sample_label $sample save_ save_CBCACONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label $sample save_ save_CCONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CCONH _Sample_label $sample save_ save_HCCHTOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCHTOCSY _Sample_label $sample save_ save_HBACONH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBACONH _Sample_label $sample save_ save_13C-EDITED_1H,1H-NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name "13C-EDITED 1H,1H-NOESY" _Sample_label $sample save_ save_15N-EDITED_1H,1H-NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name "15N-EDITED 1H,1H-NOESY" _Sample_label $sample save_ save_13C-EDITED_AROMATIC_1H,1H-NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name "13C-EDITED AROMATIC 1H,1H-NOESY" _Sample_label $sample save_ save_sample_conditions_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units "ionic strength" 100 ? mM pH 7.0 ? pH pressure 1 ? atm temperature 298 ? K 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_1 _Saveframe_category assigned_chemical_shifts loop_ _Software_label $SPARKY $nmrPipe $GARANT stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name "ThTPase mouse" 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 ALA HA H 4.274 0.05 1 2 2 2 ALA HB H 1.299 0.05 1 3 2 2 ALA C C 177.828 0.15 1 4 2 2 ALA CA C 52.984 0.15 1 5 2 2 ALA CB C 19.138 0.15 1 6 3 3 GLN H H 8.463 0.05 1 7 3 3 GLN HA H 4.676 0.05 1 8 3 3 GLN HB2 H 3.122 0.05 2 9 3 3 GLN HB3 H 3.259 0.05 2 10 3 3 GLN C C 176.002 0.15 1 11 3 3 GLN CA C 56.258 0.15 1 12 3 3 GLN CB C 30.346 0.15 1 13 3 3 GLN N N 117.490 0.15 1 14 4 4 GLY H H 8.099 0.05 1 15 4 4 GLY HA2 H 3.910 0.05 2 16 4 4 GLY C C 173.332 0.15 1 17 4 4 GLY CA C 45.333 0.15 1 18 4 4 GLY N N 109.423 0.15 1 19 5 5 LEU H H 7.863 0.05 1 20 5 5 LEU HA H 4.561 0.05 1 21 5 5 LEU HB2 H 1.644 0.05 2 22 5 5 LEU HB3 H 1.431 0.05 2 23 5 5 LEU HG H 1.528 0.05 1 24 5 5 LEU HD1 H 0.829 0.05 2 25 5 5 LEU HD2 H 0.598 0.05 2 26 5 5 LEU C C 176.448 0.15 1 27 5 5 LEU CA C 54.713 0.15 1 28 5 5 LEU CB C 43.551 0.15 1 29 5 5 LEU CG C 27.361 0.15 1 30 5 5 LEU CD1 C 25.394 0.15 2 31 5 5 LEU CD2 C 23.219 0.15 2 32 5 5 LEU N N 120.391 0.15 1 33 6 6 ILE H H 8.764 0.05 1 34 6 6 ILE HA H 4.087 0.05 1 35 6 6 ILE HB H 1.520 0.05 1 36 6 6 ILE HG12 H 0.909 0.05 2 37 6 6 ILE HG2 H 0.741 0.05 1 38 6 6 ILE HD1 H 0.647 0.05 1 39 6 6 ILE C C 174.679 0.15 1 40 6 6 ILE CA C 61.279 0.15 1 41 6 6 ILE CB C 39.651 0.15 1 42 6 6 ILE CG2 C 17.313 0.15 1 43 6 6 ILE CD1 C 13.873 0.15 1 44 6 6 ILE N N 123.050 0.15 1 45 7 7 GLU H H 8.587 0.05 1 46 7 7 GLU HA H 4.917 0.05 1 47 7 7 GLU HB2 H 1.941 0.05 2 48 7 7 GLU HB3 H 2.026 0.05 2 49 7 7 GLU HG2 H 2.175 0.05 2 50 7 7 GLU HG3 H 2.259 0.05 2 51 7 7 GLU C C 175.978 0.15 1 52 7 7 GLU CA C 56.127 0.15 1 53 7 7 GLU CB C 31.115 0.15 1 54 7 7 GLU CG C 36.352 0.15 1 55 7 7 GLU N N 127.415 0.15 1 56 8 8 VAL H H 8.986 0.05 1 57 8 8 VAL HA H 4.375 0.05 1 58 8 8 VAL HB H 2.025 0.05 1 59 8 8 VAL HG1 H 0.958 0.05 2 60 8 8 VAL C C 173.704 0.15 1 61 8 8 VAL CA C 61.347 0.15 1 62 8 8 VAL CB C 33.611 0.15 1 63 8 8 VAL CG1 C 21.708 0.15 2 64 8 8 VAL N N 126.071 0.15 1 65 9 9 GLU H H 8.521 0.05 1 66 9 9 GLU HA H 5.837 0.05 1 67 9 9 GLU HB2 H 2.085 0.05 2 68 9 9 GLU HG2 H 2.260 0.05 2 69 9 9 GLU C C 175.939 0.15 1 70 9 9 GLU CA C 54.516 0.15 1 71 9 9 GLU CB C 33.009 0.15 1 72 9 9 GLU N N 122.857 0.15 1 73 10 10 ARG H H 8.690 0.05 1 74 10 10 ARG HA H 4.709 0.05 1 75 10 10 ARG HB2 H 1.625 0.05 2 76 10 10 ARG HB3 H 1.987 0.05 2 77 10 10 ARG HD2 H 3.341 0.05 2 78 10 10 ARG HD3 H 3.595 0.05 2 79 10 10 ARG HE H 7.510 0.05 1 80 10 10 ARG HH11 H 7.339 0.05 1 81 10 10 ARG HH12 H 7.339 0.05 1 82 10 10 ARG C C 174.826 0.15 1 83 10 10 ARG CA C 54.491 0.15 1 84 10 10 ARG CB C 35.777 0.15 1 85 10 10 ARG CD C 43.283 0.15 1 86 10 10 ARG N N 120.430 0.15 1 87 10 10 ARG NE N 84.562 0.15 1 88 11 11 LYS H H 8.874 0.05 1 89 11 11 LYS HA H 5.530 0.05 1 90 11 11 LYS HB2 H 1.875 0.05 2 91 11 11 LYS HG2 H 1.502 0.05 2 92 11 11 LYS HG3 H 1.678 0.05 2 93 11 11 LYS HD2 H 1.678 0.05 2 94 11 11 LYS HE2 H 2.999 0.05 2 95 11 11 LYS C C 176.919 0.15 1 96 11 11 LYS CA C 55.084 0.15 1 97 11 11 LYS CB C 35.435 0.15 1 98 11 11 LYS CG C 26.177 0.15 1 99 11 11 LYS CD C 29.166 0.15 1 100 11 11 LYS CE C 42.313 0.15 1 101 11 11 LYS N N 121.087 0.15 1 102 12 12 PHE H H 8.877 0.05 1 103 12 12 PHE HA H 5.130 0.05 1 104 12 12 PHE HB2 H 2.841 0.05 2 105 12 12 PHE HB3 H 2.646 0.05 2 106 12 12 PHE HD2 H 6.706 0.05 1 107 12 12 PHE HE2 H 6.903 0.05 1 108 12 12 PHE C C 171.676 0.15 1 109 12 12 PHE CA C 55.869 0.15 1 110 12 12 PHE CB C 42.108 0.15 1 111 12 12 PHE CD2 C 132.207 0.15 1 112 12 12 PHE CE2 C 130.363 0.15 1 113 12 12 PHE N N 117.486 0.15 1 114 13 13 ALA H H 9.134 0.05 1 115 13 13 ALA HA H 5.003 0.05 1 116 13 13 ALA HB H 1.460 0.05 1 117 13 13 ALA CA C 48.340 0.15 1 118 13 13 ALA CB C 19.191 0.15 1 119 13 13 ALA N N 125.915 0.15 1 120 14 14 PRO HA H 4.620 0.05 1 121 14 14 PRO HB2 H 2.050 0.05 2 122 14 14 PRO HB3 H 2.323 0.05 2 123 14 14 PRO HG2 H 1.675 0.05 2 124 14 14 PRO HD2 H 3.834 0.05 2 125 14 14 PRO HD3 H 3.366 0.05 2 126 14 14 PRO C C 176.502 0.15 1 127 14 14 PRO CA C 62.672 0.15 1 128 14 14 PRO CB C 33.119 0.15 1 129 14 14 PRO CG C 27.394 0.15 1 130 14 14 PRO CD C 51.036 0.15 1 131 15 15 GLY H H 8.721 0.05 1 132 15 15 GLY HA2 H 3.999 0.05 2 133 15 15 GLY HA3 H 4.632 0.05 2 134 15 15 GLY CA C 44.411 0.15 1 135 15 15 GLY N N 109.863 0.15 1 136 16 16 PRO HA H 4.447 0.05 1 137 16 16 PRO HB2 H 2.386 0.05 2 138 16 16 PRO HG2 H 2.025 0.05 2 139 16 16 PRO HD2 H 3.701 0.05 2 140 16 16 PRO HD3 H 3.740 0.05 2 141 16 16 PRO C C 177.053 0.15 1 142 16 16 PRO CA C 64.395 0.15 1 143 16 16 PRO CB C 31.993 0.15 1 144 16 16 PRO CD C 49.614 0.15 1 145 17 17 ASP H H 8.550 0.05 1 146 17 17 ASP HA H 4.950 0.05 1 147 17 17 ASP HB2 H 2.857 0.05 2 148 17 17 ASP HB3 H 2.733 0.05 2 149 17 17 ASP C C 176.800 0.15 1 150 17 17 ASP CA C 53.271 0.15 1 151 17 17 ASP CB C 40.392 0.15 1 152 17 17 ASP N N 116.060 0.15 1 153 18 18 THR H H 7.664 0.05 1 154 18 18 THR HA H 4.120 0.05 1 155 18 18 THR HB H 3.673 0.05 1 156 18 18 THR HG1 H 5.513 0.05 1 157 18 18 THR HG2 H 1.247 0.05 1 158 18 18 THR C C 175.407 0.15 1 159 18 18 THR CA C 68.718 0.15 1 160 18 18 THR CB C 69.179 0.15 1 161 18 18 THR CG2 C 23.547 0.15 1 162 18 18 THR N N 117.158 0.15 1 163 19 19 GLU H H 8.817 0.05 1 164 19 19 GLU HA H 3.510 0.05 1 165 19 19 GLU HB2 H 2.122 0.05 2 166 19 19 GLU HG2 H 2.435 0.05 2 167 19 19 GLU HG3 H 2.133 0.05 2 168 19 19 GLU C C 178.345 0.15 1 169 19 19 GLU CA C 61.237 0.15 1 170 19 19 GLU CB C 28.746 0.15 1 171 19 19 GLU CG C 38.693 0.15 1 172 19 19 GLU N N 118.802 0.15 1 173 20 20 GLU H H 7.976 0.05 1 174 20 20 GLU HA H 4.036 0.05 1 175 20 20 GLU HB2 H 2.157 0.05 2 176 20 20 GLU HB3 H 2.079 0.05 2 177 20 20 GLU HG2 H 2.331 0.05 2 178 20 20 GLU C C 179.451 0.15 1 179 20 20 GLU CA C 59.909 0.15 1 180 20 20 GLU CB C 28.992 0.15 1 181 20 20 GLU CG C 36.840 0.15 1 182 20 20 GLU N N 121.130 0.15 1 183 21 21 ARG H H 8.199 0.05 1 184 21 21 ARG HA H 4.061 0.05 1 185 21 21 ARG HB2 H 1.634 0.05 2 186 21 21 ARG HB3 H 1.908 0.05 2 187 21 21 ARG HG2 H 1.676 0.05 2 188 21 21 ARG HD2 H 3.171 0.05 2 189 21 21 ARG HD3 H 3.208 0.05 2 190 21 21 ARG HE H 7.330 0.05 1 191 21 21 ARG C C 179.087 0.15 1 192 21 21 ARG CA C 58.477 0.15 1 193 21 21 ARG CB C 30.101 0.15 1 194 21 21 ARG CD C 43.278 0.15 1 195 21 21 ARG N N 119.897 0.15 1 196 21 21 ARG NE N 85.053 0.15 1 197 22 22 LEU H H 8.154 0.05 1 198 22 22 LEU HA H 3.560 0.05 1 199 22 22 LEU HB2 H 1.071 0.05 2 200 22 22 LEU HB3 H 0.289 0.05 2 201 22 22 LEU HG H 1.227 0.05 1 202 22 22 LEU HD1 H -0.370 0.05 2 203 22 22 LEU HD2 H 0.360 0.05 2 204 22 22 LEU C C 178.461 0.15 1 205 22 22 LEU CA C 58.432 0.15 1 206 22 22 LEU CB C 40.229 0.15 1 207 22 22 LEU CG C 26.620 0.15 1 208 22 22 LEU CD1 C 24.223 0.15 2 209 22 22 LEU CD2 C 24.140 0.15 2 210 22 22 LEU N N 120.012 0.15 1 211 23 23 GLN H H 7.621 0.05 1 212 23 23 GLN HA H 4.232 0.05 1 213 23 23 GLN HB2 H 2.313 0.05 2 214 23 23 GLN HG2 H 2.603 0.05 2 215 23 23 GLN HG3 H 2.733 0.05 2 216 23 23 GLN HE21 H 7.035 0.05 2 217 23 23 GLN HE22 H 7.340 0.05 2 218 23 23 GLN C C 180.543 0.15 1 219 23 23 GLN CA C 59.434 0.15 1 220 23 23 GLN CB C 28.749 0.15 1 221 23 23 GLN CG C 34.984 0.15 1 222 23 23 GLN N N 117.823 0.15 1 223 23 23 GLN NE2 N 111.194 0.15 1 224 24 24 GLU H H 8.165 0.05 1 225 24 24 GLU HA H 4.072 0.05 1 226 24 24 GLU HB2 H 2.158 0.05 2 227 24 24 GLU HB3 H 2.243 0.05 2 228 24 24 GLU HG2 H 2.462 0.05 2 229 24 24 GLU C C 178.612 0.15 1 230 24 24 GLU CA C 59.236 0.15 1 231 24 24 GLU CB C 29.606 0.15 1 232 24 24 GLU CG C 36.338 0.15 1 233 24 24 GLU N N 122.589 0.15 1 234 25 25 LEU H H 7.911 0.05 1 235 25 25 LEU HA H 4.214 0.05 1 236 25 25 LEU HB2 H 1.615 0.05 2 237 25 25 LEU HB3 H 1.904 0.05 2 238 25 25 LEU HG H 1.878 0.05 1 239 25 25 LEU HD1 H 0.747 0.05 2 240 25 25 LEU HD2 H 0.886 0.05 2 241 25 25 LEU C C 176.745 0.15 1 242 25 25 LEU CA C 55.659 0.15 1 243 25 25 LEU CB C 43.109 0.15 1 244 25 25 LEU CG C 26.896 0.15 1 245 25 25 LEU CD1 C 25.508 0.15 2 246 25 25 LEU CD2 C 23.217 0.15 2 247 25 25 LEU N N 117.882 0.15 1 248 26 26 GLY H H 7.776 0.05 1 249 26 26 GLY HA2 H 4.337 0.05 2 250 26 26 GLY HA3 H 3.856 0.05 2 251 26 26 GLY C C 175.456 0.15 1 252 26 26 GLY CA C 44.875 0.15 1 253 26 26 GLY N N 104.938 0.15 1 254 27 27 ALA H H 8.104 0.05 1 255 27 27 ALA HA H 4.949 0.05 1 256 27 27 ALA HB H 1.428 0.05 1 257 27 27 ALA C C 176.448 0.15 1 258 27 27 ALA CA C 52.183 0.15 1 259 27 27 ALA CB C 21.814 0.15 1 260 27 27 ALA N N 123.263 0.15 1 261 28 28 THR H H 9.369 0.05 1 262 28 28 THR HA H 4.779 0.05 1 263 28 28 THR HB H 4.161 0.05 1 264 28 28 THR HG2 H 1.255 0.05 1 265 28 28 THR C C 173.725 0.15 1 266 28 28 THR CA C 60.046 0.15 1 267 28 28 THR CB C 70.592 0.15 1 268 28 28 THR CG2 C 22.114 0.15 1 269 28 28 THR N N 112.201 0.15 1 270 29 29 LEU H H 8.518 0.05 1 271 29 29 LEU HA H 3.332 0.05 1 272 29 29 LEU HB2 H 1.285 0.05 2 273 29 29 LEU HB3 H -0.075 0.05 2 274 29 29 LEU HG H 0.714 0.05 1 275 29 29 LEU HD1 H -0.119 0.05 2 276 29 29 LEU HD2 H 0.508 0.05 2 277 29 29 LEU C C 176.202 0.15 1 278 29 29 LEU CA C 55.031 0.15 1 279 29 29 LEU CB C 40.624 0.15 1 280 29 29 LEU CG C 26.235 0.15 1 281 29 29 LEU CD1 C 21.763 0.15 2 282 29 29 LEU CD2 C 25.758 0.15 2 283 29 29 LEU N N 128.151 0.15 1 284 30 30 GLU H H 9.269 0.05 1 285 30 30 GLU HA H 4.287 0.05 1 286 30 30 GLU HB2 H 1.941 0.05 2 287 30 30 GLU HB3 H 1.687 0.05 2 288 30 30 GLU HG2 H 2.174 0.05 2 289 30 30 GLU C C 176.740 0.15 1 290 30 30 GLU CA C 57.283 0.15 1 291 30 30 GLU CB C 31.045 0.15 1 292 30 30 GLU CG C 36.425 0.15 1 293 30 30 GLU N N 130.123 0.15 1 294 31 31 HIS H H 7.341 0.05 1 295 31 31 HIS HA H 4.701 0.05 1 296 31 31 HIS HB2 H 3.058 0.05 2 297 31 31 HIS HB3 H 3.145 0.05 2 298 31 31 HIS HD2 H 6.907 0.05 1 299 31 31 HIS C C 172.581 0.15 1 300 31 31 HIS CA C 55.876 0.15 1 301 31 31 HIS CB C 33.434 0.15 1 302 31 31 HIS N N 113.223 0.15 1 303 32 32 ARG H H 8.196 0.05 1 304 32 32 ARG HA H 5.262 0.05 1 305 32 32 ARG HB2 H 1.673 0.05 2 306 32 32 ARG HG2 H 1.481 0.05 2 307 32 32 ARG HD2 H 3.070 0.05 2 308 32 32 ARG HD3 H 3.198 0.05 2 309 32 32 ARG C C 174.377 0.15 1 310 32 32 ARG CA C 55.808 0.15 1 311 32 32 ARG CB C 33.340 0.15 1 312 32 32 ARG CD C 43.580 0.15 1 313 32 32 ARG N N 123.003 0.15 1 314 33 33 VAL H H 8.956 0.05 1 315 33 33 VAL HA H 4.734 0.05 1 316 33 33 VAL HB H 2.153 0.05 1 317 33 33 VAL HG1 H 1.081 0.05 2 318 33 33 VAL HG2 H 1.018 0.05 2 319 33 33 VAL C C 172.821 0.15 1 320 33 33 VAL CA C 60.197 0.15 1 321 33 33 VAL CB C 35.860 0.15 1 322 33 33 VAL CG1 C 20.672 0.15 2 323 33 33 VAL CG2 C 20.874 0.15 2 324 33 33 VAL N N 122.929 0.15 1 325 34 34 THR H H 8.250 0.05 1 326 34 34 THR HA H 5.616 0.05 1 327 34 34 THR HB H 3.843 0.05 1 328 34 34 THR HG2 H 1.130 0.05 1 329 34 34 THR C C 173.913 0.15 1 330 34 34 THR CA C 60.245 0.15 1 331 34 34 THR CB C 71.706 0.15 1 332 34 34 THR CG2 C 21.429 0.15 1 333 34 34 THR N N 119.164 0.15 1 334 35 35 PHE H H 8.565 0.05 1 335 35 35 PHE HA H 5.029 0.05 1 336 35 35 PHE HB2 H 2.945 0.05 2 337 35 35 PHE HB3 H 3.292 0.05 2 338 35 35 PHE HD2 H 6.908 0.05 1 339 35 35 PHE HE2 H 7.249 0.05 1 340 35 35 PHE C C 173.193 0.15 1 341 35 35 PHE CA C 55.687 0.15 1 342 35 35 PHE CB C 40.853 0.15 1 343 35 35 PHE CD2 C 133.006 0.15 1 344 35 35 PHE CE2 C 130.524 0.15 1 345 35 35 PHE N N 120.244 0.15 1 346 36 36 ARG H H 8.869 0.05 1 347 36 36 ARG HA H 4.982 0.05 1 348 36 36 ARG HB3 H 1.915 0.05 2 349 36 36 ARG C C 174.743 0.15 1 350 36 36 ARG CA C 55.493 0.15 1 351 36 36 ARG CB C 32.228 0.15 1 352 36 36 ARG N N 123.893 0.15 1 353 37 37 ASP H H 8.402 0.05 1 354 37 37 ASP HA H 5.462 0.05 1 355 37 37 ASP HB2 H 1.873 0.05 2 356 37 37 ASP HB3 H 2.141 0.05 2 357 37 37 ASP C C 175.177 0.15 1 358 37 37 ASP CA C 53.942 0.15 1 359 37 37 ASP CB C 45.486 0.15 1 360 37 37 ASP N N 127.149 0.15 1 361 38 38 THR H H 8.151 0.05 1 362 38 38 THR HA H 4.866 0.05 1 363 38 38 THR HB H 3.854 0.05 1 364 38 38 THR HG2 H 0.889 0.05 1 365 38 38 THR C C 172.792 0.15 1 366 38 38 THR CA C 61.416 0.15 1 367 38 38 THR CB C 71.047 0.15 1 368 38 38 THR CG2 C 21.804 0.15 1 369 38 38 THR N N 115.686 0.15 1 370 39 39 TYR H H 9.021 0.05 1 371 39 39 TYR HA H 5.544 0.05 1 372 39 39 TYR HB2 H 3.032 0.05 2 373 39 39 TYR HB3 H 2.591 0.05 2 374 39 39 TYR HD2 H 6.975 0.05 1 375 39 39 TYR HE2 H 6.744 0.05 1 376 39 39 TYR C C 176.032 0.15 1 377 39 39 TYR CA C 57.184 0.15 1 378 39 39 TYR CB C 41.642 0.15 1 379 39 39 TYR CE2 C 117.891 0.15 1 380 39 39 TYR N N 124.579 0.15 1 381 40 40 TYR H H 8.487 0.05 1 382 40 40 TYR HA H 5.517 0.05 1 383 40 40 TYR HB2 H 2.697 0.05 2 384 40 40 TYR HD2 H 6.828 0.05 1 385 40 40 TYR HE2 H 6.707 0.05 1 386 40 40 TYR C C 174.108 0.15 1 387 40 40 TYR CA C 56.979 0.15 1 388 40 40 TYR CB C 44.132 0.15 1 389 40 40 TYR CD2 C 132.564 0.15 1 390 40 40 TYR CE2 C 119.225 0.15 1 391 40 40 TYR N N 119.709 0.15 1 392 41 41 ASP H H 9.341 0.05 1 393 41 41 ASP HA H 4.866 0.05 1 394 41 41 ASP HB2 H 3.003 0.05 2 395 41 41 ASP HB3 H 2.724 0.05 2 396 41 41 ASP C C 177.262 0.15 1 397 41 41 ASP CA C 53.445 0.15 1 398 41 41 ASP CB C 45.347 0.15 1 399 41 41 ASP N N 117.995 0.15 1 400 42 42 THR H H 11.574 0.05 1 401 42 42 THR HA H 5.206 0.05 1 402 42 42 THR HB H 4.932 0.05 1 403 42 42 THR HG2 H 1.415 0.05 1 404 42 42 THR C C 177.935 0.15 1 405 42 42 THR CA C 60.400 0.15 1 406 42 42 THR CB C 72.114 0.15 1 407 42 42 THR CG2 C 22.801 0.15 1 408 42 42 THR N N 114.394 0.15 1 409 43 43 SER H H 9.715 0.05 1 410 43 43 SER HA H 4.252 0.05 1 411 43 43 SER HB2 H 3.971 0.05 2 412 43 43 SER HB3 H 4.077 0.05 2 413 43 43 SER C C 175.478 0.15 1 414 43 43 SER CA C 61.277 0.15 1 415 43 43 SER CB C 62.821 0.15 1 416 43 43 SER N N 116.674 0.15 1 417 44 44 GLU H H 7.674 0.05 1 418 44 44 GLU HA H 4.330 0.05 1 419 44 44 GLU HB2 H 1.815 0.05 2 420 44 44 GLU HG2 H 2.242 0.05 2 421 44 44 GLU HG3 H 2.303 0.05 2 422 44 44 GLU C C 175.001 0.15 1 423 44 44 GLU CA C 55.992 0.15 1 424 44 44 GLU CB C 29.276 0.15 1 425 44 44 GLU CG C 36.845 0.15 1 426 44 44 GLU N N 117.856 0.15 1 427 45 45 LEU H H 8.222 0.05 1 428 45 45 LEU HA H 3.901 0.05 1 429 45 45 LEU HB2 H 1.654 0.05 2 430 45 45 LEU HB3 H 2.006 0.05 2 431 45 45 LEU HG H 1.525 0.05 1 432 45 45 LEU HD1 H 0.942 0.05 2 433 45 45 LEU HD2 H 0.964 0.05 2 434 45 45 LEU C C 175.209 0.15 1 435 45 45 LEU CA C 55.548 0.15 1 436 45 45 LEU CB C 38.458 0.15 1 437 45 45 LEU CD1 C 22.724 0.15 2 438 45 45 LEU CD2 C 25.994 0.15 2 439 45 45 LEU N N 119.335 0.15 1 440 46 46 SER H H 7.347 0.05 1 441 46 46 SER HA H 3.954 0.05 1 442 46 46 SER HB2 H 3.587 0.05 2 443 46 46 SER C C 177.497 0.15 1 444 46 46 SER CA C 62.471 0.15 1 445 46 46 SER CB C 63.908 0.15 1 446 46 46 SER N N 111.433 0.15 1 447 47 47 LEU H H 12.003 0.05 1 448 47 47 LEU HA H 3.959 0.05 1 449 47 47 LEU HB2 H 1.250 0.05 2 450 47 47 LEU HB3 H 2.064 0.05 2 451 47 47 LEU HG H 1.738 0.05 1 452 47 47 LEU HD1 H 0.641 0.05 2 453 47 47 LEU HD2 H 0.914 0.05 2 454 47 47 LEU C C 180.340 0.15 1 455 47 47 LEU CA C 58.879 0.15 1 456 47 47 LEU CB C 39.572 0.15 1 457 47 47 LEU CG C 27.820 0.15 1 458 47 47 LEU CD1 C 23.959 0.15 2 459 47 47 LEU CD2 C 26.941 0.15 2 460 47 47 LEU N N 124.605 0.15 1 461 48 48 MET H H 10.599 0.05 1 462 48 48 MET HA H 3.213 0.05 1 463 48 48 MET HB2 H 1.843 0.05 2 464 48 48 MET HB3 H 1.489 0.05 2 465 48 48 MET HG2 H 3.176 0.05 2 466 48 48 MET HG3 H 1.907 0.05 2 467 48 48 MET HE H 2.166 0.05 1 468 48 48 MET C C 181.177 0.15 1 469 48 48 MET CA C 60.747 0.15 1 470 48 48 MET CB C 32.594 0.15 1 471 48 48 MET CG C 33.978 0.15 1 472 48 48 MET CE C 17.992 0.15 1 473 48 48 MET N N 126.254 0.15 1 474 49 49 LEU H H 8.731 0.05 1 475 49 49 LEU HA H 4.097 0.05 1 476 49 49 LEU HB2 H 1.897 0.05 2 477 49 49 LEU HB3 H 1.504 0.05 2 478 49 49 LEU HD1 H 0.925 0.05 2 479 49 49 LEU HD2 H 0.873 0.05 2 480 49 49 LEU C C 178.144 0.15 1 481 49 49 LEU CA C 57.800 0.15 1 482 49 49 LEU CB C 41.379 0.15 1 483 49 49 LEU CD1 C 26.053 0.15 2 484 49 49 LEU CD2 C 23.714 0.15 2 485 49 49 LEU N N 119.183 0.15 1 486 50 50 SER H H 7.853 0.05 1 487 50 50 SER HA H 4.822 0.05 1 488 50 50 SER HB2 H 4.058 0.05 2 489 50 50 SER HB3 H 4.298 0.05 2 490 50 50 SER C C 174.539 0.15 1 491 50 50 SER CA C 57.811 0.15 1 492 50 50 SER CB C 64.443 0.15 1 493 50 50 SER N N 114.594 0.15 1 494 51 51 ASP H H 8.264 0.05 1 495 51 51 ASP HA H 4.362 0.05 1 496 51 51 ASP HB2 H 3.527 0.05 2 497 51 51 ASP HB3 H 2.585 0.05 2 498 51 51 ASP C C 172.921 0.15 1 499 51 51 ASP CA C 55.343 0.15 1 500 51 51 ASP CB C 40.583 0.15 1 501 51 51 ASP N N 123.003 0.15 1 502 52 52 HIS H H 7.869 0.05 1 503 52 52 HIS HA H 5.335 0.05 1 504 52 52 HIS HB2 H 2.717 0.05 2 505 52 52 HIS HB3 H 2.676 0.05 2 506 52 52 HIS HD2 H 7.030 0.05 1 507 52 52 HIS HE1 H 8.021 0.05 1 508 52 52 HIS C C 173.991 0.15 1 509 52 52 HIS CA C 55.889 0.15 1 510 52 52 HIS CB C 31.789 0.15 1 511 52 52 HIS CE1 C 138.425 0.15 1 512 52 52 HIS N N 112.486 0.15 1 513 53 53 TRP H H 8.165 0.05 1 514 53 53 TRP HA H 4.926 0.05 1 515 53 53 TRP HB2 H 3.237 0.05 2 516 53 53 TRP HD1 H 6.812 0.05 1 517 53 53 TRP HE1 H 10.565 0.05 1 518 53 53 TRP HE3 H 7.116 0.05 1 519 53 53 TRP HZ2 H 7.661 0.05 1 520 53 53 TRP HZ3 H 7.349 0.05 1 521 53 53 TRP HH2 H 7.135 0.05 1 522 53 53 TRP C C 175.354 0.15 1 523 53 53 TRP CA C 55.364 0.15 1 524 53 53 TRP CB C 30.641 0.15 1 525 53 53 TRP CD1 C 128.122 0.15 1 526 53 53 TRP CE3 C 121.863 0.15 1 527 53 53 TRP CZ2 C 114.754 0.15 1 528 53 53 TRP CH2 C 123.990 0.15 1 529 53 53 TRP N N 117.916 0.15 1 530 53 53 TRP NE1 N 130.775 0.15 1 531 54 54 LEU H H 10.088 0.05 1 532 54 54 LEU HA H 5.497 0.05 1 533 54 54 LEU HB2 H 2.500 0.05 2 534 54 54 LEU HB3 H 1.182 0.05 2 535 54 54 LEU HG H 1.735 0.05 1 536 54 54 LEU HD1 H 0.676 0.05 2 537 54 54 LEU HD2 H 1.073 0.05 2 538 54 54 LEU C C 173.337 0.15 1 539 54 54 LEU CA C 54.408 0.15 1 540 54 54 LEU CB C 44.156 0.15 1 541 54 54 LEU CG C 28.322 0.15 1 542 54 54 LEU CD1 C 26.967 0.15 2 543 54 54 LEU CD2 C 23.964 0.15 2 544 54 54 LEU N N 130.826 0.15 1 545 55 55 ARG H H 9.289 0.05 1 546 55 55 ARG HA H 5.482 0.05 1 547 55 55 ARG HB2 H 1.056 0.05 2 548 55 55 ARG HB3 H 0.955 0.05 2 549 55 55 ARG HG2 H 1.246 0.05 2 550 55 55 ARG HD2 H 2.705 0.05 2 551 55 55 ARG HE H 7.033 0.05 1 552 55 55 ARG C C 174.057 0.15 1 553 55 55 ARG CA C 53.167 0.15 1 554 55 55 ARG CB C 34.270 0.15 1 555 55 55 ARG CD C 43.672 0.15 1 556 55 55 ARG N N 125.089 0.15 1 557 55 55 ARG NE N 85.074 0.15 1 558 56 56 GLN H H 9.092 0.05 1 559 56 56 GLN HA H 3.991 0.05 1 560 56 56 GLN HB2 H -0.134 0.05 2 561 56 56 GLN HB3 H 1.492 0.05 2 562 56 56 GLN HG2 H 0.805 0.05 2 563 56 56 GLN HG3 H 1.160 0.05 2 564 56 56 GLN HE21 H 6.472 0.05 2 565 56 56 GLN HE22 H 6.610 0.05 2 566 56 56 GLN C C 174.199 0.15 1 567 56 56 GLN CA C 54.566 0.15 1 568 56 56 GLN CB C 29.643 0.15 1 569 56 56 GLN CG C 33.638 0.15 1 570 56 56 GLN N N 124.355 0.15 1 571 56 56 GLN NE2 N 109.752 0.15 1 572 57 57 ARG H H 8.440 0.05 1 573 57 57 ARG HA H 5.316 0.05 1 574 57 57 ARG HB2 H 1.696 0.05 2 575 57 57 ARG HG2 H 1.626 0.05 2 576 57 57 ARG HD2 H 2.291 0.05 2 577 57 57 ARG HD3 H 2.583 0.05 2 578 57 57 ARG HE H 9.623 0.05 1 579 57 57 ARG C C 176.188 0.15 1 580 57 57 ARG CA C 53.940 0.15 1 581 57 57 ARG CB C 32.426 0.15 1 582 57 57 ARG CD C 42.747 0.15 1 583 57 57 ARG N N 130.222 0.15 1 584 57 57 ARG NE N 87.611 0.15 1 585 58 58 GLU H H 8.891 0.05 1 586 58 58 GLU HA H 3.996 0.05 1 587 58 58 GLU HB2 H 2.253 0.05 2 588 58 58 GLU HG2 H 2.575 0.05 2 589 58 58 GLU CA C 58.364 0.15 1 590 58 58 GLU CB C 30.875 0.15 1 591 58 58 GLU N N 131.208 0.15 1 592 59 59 GLY H H 8.367 0.05 1 593 59 59 GLY HA2 H 4.334 0.05 2 594 59 59 GLY HA3 H 3.743 0.05 2 595 59 59 GLY C C 174.194 0.15 1 596 59 59 GLY CA C 45.666 0.15 1 597 60 60 SER H H 8.071 0.05 1 598 60 60 SER HA H 4.730 0.05 1 599 60 60 SER HB2 H 3.682 0.05 2 600 60 60 SER HB3 H 3.468 0.05 2 601 60 60 SER C C 173.908 0.15 1 602 60 60 SER CA C 58.762 0.15 1 603 60 60 SER CB C 64.497 0.15 1 604 60 60 SER N N 114.636 0.15 1 605 61 61 GLY H H 8.401 0.05 1 606 61 61 GLY HA2 H 4.560 0.05 2 607 61 61 GLY HA3 H 3.878 0.05 2 608 61 61 GLY C C 173.526 0.15 1 609 61 61 GLY CA C 44.906 0.15 1 610 61 61 GLY N N 109.421 0.15 1 611 62 62 TRP H H 8.861 0.05 1 612 62 62 TRP HA H 5.089 0.05 1 613 62 62 TRP HB2 H 3.014 0.05 2 614 62 62 TRP HB3 H 2.864 0.05 2 615 62 62 TRP HD1 H 7.294 0.05 1 616 62 62 TRP HE1 H 9.955 0.05 1 617 62 62 TRP HE3 H 7.218 0.05 1 618 62 62 TRP HZ2 H 7.066 0.05 1 619 62 62 TRP HZ3 H 6.331 0.05 1 620 62 62 TRP HH2 H 6.079 0.05 1 621 62 62 TRP C C 176.168 0.15 1 622 62 62 TRP CA C 57.459 0.15 1 623 62 62 TRP CB C 32.536 0.15 1 624 62 62 TRP CD1 C 126.841 0.15 1 625 62 62 TRP CE3 C 119.882 0.15 1 626 62 62 TRP CZ2 C 113.907 0.15 1 627 62 62 TRP CZ3 C 121.781 0.15 1 628 62 62 TRP CH2 C 125.353 0.15 1 629 62 62 TRP N N 122.939 0.15 1 630 62 62 TRP NE1 N 129.078 0.15 1 631 63 63 GLU H H 9.306 0.05 1 632 63 63 GLU HA H 4.919 0.05 1 633 63 63 GLU HB2 H 1.899 0.05 2 634 63 63 GLU HB3 H 1.959 0.05 2 635 63 63 GLU HG2 H 1.889 0.05 2 636 63 63 GLU HG3 H 1.985 0.05 2 637 63 63 GLU C C 173.770 0.15 1 638 63 63 GLU CA C 55.953 0.15 1 639 63 63 GLU CB C 35.317 0.15 1 640 63 63 GLU CG C 37.785 0.15 1 641 63 63 GLU N N 120.136 0.15 1 642 64 64 LEU H H 8.998 0.05 1 643 64 64 LEU HA H 5.616 0.05 1 644 64 64 LEU HB2 H 2.015 0.05 2 645 64 64 LEU HB3 H 1.314 0.05 2 646 64 64 LEU HD1 H 1.025 0.05 2 647 64 64 LEU HD2 H 0.915 0.05 2 648 64 64 LEU C C 175.014 0.15 1 649 64 64 LEU CA C 52.945 0.15 1 650 64 64 LEU CB C 46.904 0.15 1 651 64 64 LEU CD1 C 24.039 0.15 2 652 64 64 LEU CD2 C 27.523 0.15 2 653 64 64 LEU N N 127.321 0.15 1 654 65 65 LYS H H 9.322 0.05 1 655 65 65 LYS HA H 5.347 0.05 1 656 65 65 LYS HB2 H 1.838 0.05 2 657 65 65 LYS HB3 H 1.812 0.05 2 658 65 65 LYS HG2 H 1.146 0.05 2 659 65 65 LYS HG3 H 1.539 0.05 2 660 65 65 LYS HD2 H 1.129 0.05 2 661 65 65 LYS HD3 H 1.298 0.05 2 662 65 65 LYS HE2 H 2.230 0.05 2 663 65 65 LYS C C 175.811 0.15 1 664 65 65 LYS CA C 55.817 0.15 1 665 65 65 LYS CB C 34.521 0.15 1 666 65 65 LYS CG C 26.035 0.15 1 667 65 65 LYS CD C 29.439 0.15 1 668 65 65 LYS CE C 41.335 0.15 1 669 65 65 LYS N N 129.874 0.15 1 670 66 66 CYS H H 9.129 0.05 1 671 66 66 CYS HA H 5.319 0.05 1 672 66 66 CYS HB2 H 2.738 0.05 2 673 66 66 CYS HB3 H 2.865 0.05 2 674 66 66 CYS CA C 54.532 0.15 1 675 66 66 CYS CB C 28.813 0.15 1 676 66 66 CYS N N 121.497 0.15 1 677 67 67 PRO HA H 4.439 0.05 1 678 67 67 PRO HB2 H 2.407 0.05 2 679 67 67 PRO HB3 H 1.927 0.05 2 680 67 67 PRO HG2 H 2.107 0.05 2 681 67 67 PRO HG3 H 2.168 0.05 2 682 67 67 PRO HD2 H 3.604 0.05 2 683 67 67 PRO HD3 H 3.093 0.05 2 684 67 67 PRO C C 177.297 0.15 1 685 67 67 PRO CA C 63.596 0.15 1 686 67 67 PRO CB C 32.242 0.15 1 687 67 67 PRO CD C 49.819 0.15 1 688 68 68 GLY H H 8.316 0.05 1 689 68 68 GLY HA2 H 3.726 0.05 2 690 68 68 GLY HA3 H 4.095 0.05 2 691 68 68 GLY C C 173.789 0.15 1 692 68 68 GLY CA C 45.227 0.15 1 693 68 68 GLY N N 109.533 0.15 1 694 69 69 VAL H H 8.114 0.05 1 695 69 69 VAL HA H 4.266 0.05 1 696 69 69 VAL HB H 2.106 0.05 1 697 69 69 VAL HG2 H 0.940 0.05 2 698 69 69 VAL C C 176.299 0.15 1 699 69 69 VAL CA C 61.945 0.15 1 700 69 69 VAL CB C 33.082 0.15 1 701 69 69 VAL CG2 C 21.238 0.15 2 702 69 69 VAL N N 118.540 0.15 1 703 70 70 THR H H 8.324 0.05 1 704 70 70 THR HA H 4.373 0.05 1 705 70 70 THR HB H 4.239 0.05 1 706 70 70 THR HG2 H 1.242 0.05 1 707 70 70 THR C C 175.204 0.15 1 708 70 70 THR CA C 62.309 0.15 1 709 70 70 THR CB C 69.787 0.15 1 710 70 70 THR CG2 C 21.686 0.15 1 711 70 70 THR N N 117.636 0.15 1 712 71 71 GLY H H 8.574 0.05 1 713 71 71 GLY HA2 H 4.096 0.05 2 714 71 71 GLY HA3 H 3.975 0.05 2 715 71 71 GLY C C 174.313 0.15 1 716 71 71 GLY CA C 45.545 0.15 1 717 71 71 GLY N N 111.677 0.15 1 718 72 72 VAL H H 7.945 0.05 1 719 72 72 VAL HA H 4.258 0.05 1 720 72 72 VAL HB H 2.106 0.05 1 721 72 72 VAL HG1 H 0.934 0.05 2 722 72 72 VAL HG2 H 0.919 0.05 2 723 72 72 VAL C C 176.162 0.15 1 724 72 72 VAL CA C 62.227 0.15 1 725 72 72 VAL CB C 32.997 0.15 1 726 72 72 VAL CG2 C 20.303 0.15 2 727 72 72 VAL N N 118.647 0.15 1 728 73 73 SER H H 8.498 0.05 1 729 73 73 SER HA H 4.617 0.05 1 730 73 73 SER HB2 H 3.916 0.05 2 731 73 73 SER C C 174.461 0.15 1 732 73 73 SER CA C 58.218 0.15 1 733 73 73 SER CB C 64.061 0.15 1 734 73 73 SER N N 118.828 0.15 1 735 74 74 GLY H H 8.247 0.05 1 736 74 74 GLY HA2 H 4.101 0.05 2 737 74 74 GLY HA3 H 4.304 0.05 2 738 74 74 GLY CA C 44.896 0.15 1 739 74 74 GLY N N 111.138 0.15 1 740 75 75 PRO HA H 4.461 0.05 1 741 75 75 PRO HB2 H 2.235 0.05 2 742 75 75 PRO HB3 H 1.843 0.05 2 743 75 75 PRO HG2 H 1.925 0.05 2 744 75 75 PRO HG3 H 2.033 0.05 2 745 75 75 PRO HD2 H 3.619 0.05 2 746 75 75 PRO HD3 H 3.677 0.05 2 747 75 75 PRO C C 176.798 0.15 1 748 75 75 PRO CA C 63.466 0.15 1 749 75 75 PRO CB C 31.980 0.15 1 750 75 75 PRO CG C 27.333 0.15 1 751 75 75 PRO CD C 49.712 0.15 1 752 76 76 HIS H H 8.397 0.05 1 753 76 76 HIS HA H 4.742 0.05 1 754 76 76 HIS HB2 H 3.203 0.05 2 755 76 76 HIS HB3 H 3.167 0.05 2 756 76 76 HIS HD2 H 7.128 0.05 1 757 76 76 HIS C C 174.282 0.15 1 758 76 76 HIS CA C 55.579 0.15 1 759 76 76 HIS CB C 30.501 0.15 1 760 76 76 HIS N N 118.431 0.15 1 761 77 77 ASN H H 8.364 0.05 1 762 77 77 ASN HA H 4.767 0.05 1 763 77 77 ASN HB2 H 2.813 0.05 2 764 77 77 ASN HB3 H 2.695 0.05 2 765 77 77 ASN HD21 H 6.896 0.05 2 766 77 77 ASN HD22 H 7.548 0.05 2 767 77 77 ASN C C 174.576 0.15 1 768 77 77 ASN CA C 53.139 0.15 1 769 77 77 ASN CB C 39.320 0.15 1 770 77 77 ASN N N 119.421 0.15 1 771 77 77 ASN ND2 N 112.496 0.15 1 772 78 78 GLU H H 8.683 0.05 1 773 78 78 GLU HA H 4.409 0.05 1 774 78 78 GLU HB2 H 2.033 0.05 2 775 78 78 GLU HB3 H 1.890 0.05 2 776 78 78 GLU HG2 H 2.262 0.05 2 777 78 78 GLU HG3 H 2.189 0.05 2 778 78 78 GLU C C 175.791 0.15 1 779 78 78 GLU CA C 56.359 0.15 1 780 78 78 GLU CB C 30.818 0.15 1 781 78 78 GLU CG C 36.341 0.15 1 782 78 78 GLU N N 122.085 0.15 1 783 79 79 TYR H H 8.341 0.05 1 784 79 79 TYR HA H 4.988 0.05 1 785 79 79 TYR HB2 H 2.890 0.05 2 786 79 79 TYR HB3 H 2.739 0.05 2 787 79 79 TYR HD2 H 6.986 0.05 1 788 79 79 TYR HE2 H 6.956 0.05 1 789 79 79 TYR C C 175.837 0.15 1 790 79 79 TYR CA C 58.028 0.15 1 791 79 79 TYR CB C 41.672 0.15 1 792 79 79 TYR CD2 C 133.268 0.15 1 793 79 79 TYR CE2 C 118.030 0.15 1 794 79 79 TYR N N 119.452 0.15 1 795 80 80 VAL H H 9.366 0.05 1 796 80 80 VAL HA H 4.370 0.05 1 797 80 80 VAL HB H 2.032 0.05 1 798 80 80 VAL HG1 H 0.933 0.05 2 799 80 80 VAL C C 174.948 0.15 1 800 80 80 VAL CA C 61.190 0.15 1 801 80 80 VAL CB C 34.204 0.15 1 802 80 80 VAL CG1 C 20.758 0.15 2 803 80 80 VAL N N 120.567 0.15 1 804 81 81 GLU H H 8.570 0.05 1 805 81 81 GLU HA H 4.770 0.05 1 806 81 81 GLU HB2 H 1.785 0.05 2 807 81 81 GLU HB3 H 2.085 0.05 2 808 81 81 GLU HG2 H 2.155 0.05 2 809 81 81 GLU C C 175.491 0.15 1 810 81 81 GLU CA C 55.655 0.15 1 811 81 81 GLU CB C 30.415 0.15 1 812 81 81 GLU CG C 36.452 0.15 1 813 81 81 GLU N N 124.248 0.15 1 814 82 82 VAL H H 9.189 0.05 1 815 82 82 VAL HA H 4.279 0.05 1 816 82 82 VAL HB H 2.343 0.05 1 817 82 82 VAL HG2 H 1.062 0.05 2 818 82 82 VAL C C 176.087 0.15 1 819 82 82 VAL CA C 62.672 0.15 1 820 82 82 VAL CB C 33.121 0.15 1 821 82 82 VAL CG2 C 21.483 0.15 2 822 82 82 VAL N N 127.776 0.15 1 823 83 83 THR H H 8.590 0.05 1 824 83 83 THR HA H 4.955 0.05 1 825 83 83 THR HB H 4.645 0.05 1 826 83 83 THR HG2 H 1.264 0.05 1 827 83 83 THR C C 174.688 0.15 1 828 83 83 THR CA C 61.332 0.15 1 829 83 83 THR CB C 70.213 0.15 1 830 83 83 THR CG2 C 21.781 0.15 1 831 83 83 THR N N 114.744 0.15 1 832 84 84 SER H H 7.650 0.05 1 833 84 84 SER HA H 4.819 0.05 1 834 84 84 SER HB2 H 4.184 0.05 2 835 84 84 SER HB3 H 3.930 0.05 2 836 84 84 SER CA C 56.280 0.15 1 837 84 84 SER CB C 63.294 0.15 1 838 84 84 SER N N 118.038 0.15 1 839 85 85 GLU H H 8.391 0.05 1 840 85 85 GLU HA H 3.661 0.05 1 841 85 85 GLU HB2 H 2.190 0.05 2 842 85 85 GLU HB3 H 2.160 0.05 2 843 85 85 GLU HG2 H 2.830 0.05 2 844 85 85 GLU HG3 H 2.066 0.05 2 845 85 85 GLU C C 177.520 0.15 1 846 85 85 GLU CA C 62.429 0.15 1 847 85 85 GLU CB C 29.655 0.15 1 848 85 85 GLU CG C 38.909 0.15 1 849 86 86 ALA H H 8.443 0.05 1 850 86 86 ALA HA H 4.027 0.05 1 851 86 86 ALA HB H 1.377 0.05 1 852 86 86 ALA C C 180.423 0.15 1 853 86 86 ALA CA C 55.145 0.15 1 854 86 86 ALA CB C 18.165 0.15 1 855 86 86 ALA N N 119.636 0.15 1 856 87 87 ALA H H 7.214 0.05 1 857 87 87 ALA HA H 4.244 0.05 1 858 87 87 ALA HB H 1.528 0.05 1 859 87 87 ALA C C 180.354 0.15 1 860 87 87 ALA CA C 54.378 0.15 1 861 87 87 ALA CB C 18.795 0.15 1 862 87 87 ALA N N 121.004 0.15 1 863 88 88 ILE H H 8.471 0.05 1 864 88 88 ILE HA H 3.360 0.05 1 865 88 88 ILE HB H 1.756 0.05 1 866 88 88 ILE HG2 H 0.636 0.05 1 867 88 88 ILE HD1 H 0.689 0.05 1 868 88 88 ILE CA C 66.323 0.15 1 869 88 88 ILE CB C 37.808 0.15 1 870 88 88 ILE CG2 C 17.764 0.15 1 871 88 88 ILE CD1 C 14.131 0.15 1 872 88 88 ILE N N 120.743 0.15 1 873 89 89 VAL H H 8.343 0.05 1 874 89 89 VAL HA H 3.061 0.05 1 875 89 89 VAL HB H 1.859 0.05 1 876 89 89 VAL HG1 H 0.508 0.05 2 877 89 89 VAL HG2 H 0.720 0.05 2 878 89 89 VAL C C 176.708 0.15 1 879 89 89 VAL CA C 67.833 0.15 1 880 89 89 VAL CB C 31.509 0.15 1 881 89 89 VAL CG1 C 22.052 0.15 2 882 89 89 VAL CG2 C 23.284 0.15 2 883 89 89 VAL N N 118.049 0.15 1 884 90 90 ALA H H 7.516 0.05 1 885 90 90 ALA HA H 3.987 0.05 1 886 90 90 ALA HB H 1.514 0.05 1 887 90 90 ALA C C 180.744 0.15 1 888 90 90 ALA CA C 55.481 0.15 1 889 90 90 ALA CB C 17.953 0.15 1 890 90 90 ALA N N 118.935 0.15 1 891 91 91 GLN H H 7.886 0.05 1 892 91 91 GLN HA H 4.190 0.05 1 893 91 91 GLN HB2 H 2.008 0.05 2 894 91 91 GLN HB3 H 2.185 0.05 2 895 91 91 GLN HG2 H 2.353 0.05 2 896 91 91 GLN HG3 H 2.525 0.05 2 897 91 91 GLN HE21 H 6.876 0.05 2 898 91 91 GLN HE22 H 7.556 0.05 2 899 91 91 GLN C C 178.832 0.15 1 900 91 91 GLN CA C 58.519 0.15 1 901 91 91 GLN CB C 28.091 0.15 1 902 91 91 GLN CG C 33.982 0.15 1 903 91 91 GLN N N 117.846 0.15 1 904 91 91 GLN NE2 N 111.513 0.15 1 905 92 92 LEU H H 8.751 0.05 1 906 92 92 LEU HA H 3.903 0.05 1 907 92 92 LEU HB2 H 1.905 0.05 2 908 92 92 LEU HG H 1.547 0.05 1 909 92 92 LEU HD1 H 0.488 0.05 2 910 92 92 LEU HD2 H 0.763 0.05 2 911 92 92 LEU C C 178.997 0.15 1 912 92 92 LEU CA C 58.136 0.15 1 913 92 92 LEU CB C 41.576 0.15 1 914 92 92 LEU CG C 26.323 0.15 1 915 92 92 LEU CD1 C 26.268 0.15 2 916 92 92 LEU CD2 C 23.255 0.15 2 917 92 92 LEU N N 119.547 0.15 1 918 93 93 PHE H H 8.648 0.05 1 919 93 93 PHE HA H 4.270 0.05 1 920 93 93 PHE HB2 H 3.136 0.05 2 921 93 93 PHE HB3 H 3.271 0.05 2 922 93 93 PHE HD2 H 7.283 0.05 1 923 93 93 PHE HE2 H 7.131 0.05 1 924 93 93 PHE C C 179.283 0.15 1 925 93 93 PHE CA C 59.860 0.15 1 926 93 93 PHE CB C 37.765 0.15 1 927 93 93 PHE CD2 C 130.885 0.15 1 928 93 93 PHE CE2 C 131.056 0.15 1 929 93 93 PHE N N 118.041 0.15 1 930 94 94 GLU H H 7.739 0.05 1 931 94 94 GLU HA H 4.110 0.05 1 932 94 94 GLU HB2 H 2.162 0.05 2 933 94 94 GLU HG2 H 2.349 0.05 2 934 94 94 GLU HG3 H 2.377 0.05 2 935 94 94 GLU C C 178.629 0.15 1 936 94 94 GLU CA C 59.359 0.15 1 937 94 94 GLU CB C 29.589 0.15 1 938 94 94 GLU CG C 36.056 0.15 1 939 94 94 GLU N N 119.980 0.15 1 940 95 95 LEU H H 7.999 0.05 1 941 95 95 LEU HA H 4.139 0.05 1 942 95 95 LEU HB2 H 1.623 0.05 2 943 95 95 LEU HB3 H 1.392 0.05 2 944 95 95 LEU HG H 1.554 0.05 1 945 95 95 LEU HD1 H 0.323 0.05 2 946 95 95 LEU HD2 H 0.502 0.05 2 947 95 95 LEU C C 178.965 0.15 1 948 95 95 LEU CA C 57.557 0.15 1 949 95 95 LEU CB C 43.443 0.15 1 950 95 95 LEU CG C 26.535 0.15 1 951 95 95 LEU CD1 C 24.138 0.15 2 952 95 95 LEU CD2 C 22.956 0.15 2 953 95 95 LEU N N 118.398 0.15 1 954 96 96 LEU H H 8.363 0.05 1 955 96 96 LEU HA H 4.503 0.05 1 956 96 96 LEU HB2 H 1.816 0.05 2 957 96 96 LEU HB3 H 1.656 0.05 2 958 96 96 LEU HD1 H 0.851 0.05 2 959 96 96 LEU C C 177.932 0.15 1 960 96 96 LEU CA C 54.700 0.15 1 961 96 96 LEU CB C 43.048 0.15 1 962 96 96 LEU CD1 C 22.281 0.15 2 963 96 96 LEU N N 114.720 0.15 1 964 97 97 GLY H H 7.810 0.05 1 965 97 97 GLY HA2 H 3.963 0.05 2 966 97 97 GLY C C 173.535 0.15 1 967 97 97 GLY CA C 45.667 0.15 1 968 97 97 GLY N N 109.511 0.15 1 969 98 98 SER H H 8.131 0.05 1 970 98 98 SER HA H 4.225 0.05 1 971 98 98 SER HB2 H 3.461 0.05 2 972 98 98 SER HB3 H 3.592 0.05 2 973 98 98 SER C C 174.974 0.15 1 974 98 98 SER CA C 57.960 0.15 1 975 98 98 SER CB C 63.997 0.15 1 976 98 98 SER N N 113.405 0.15 1 977 99 99 GLY H H 8.052 0.05 1 978 99 99 GLY HA2 H 3.998 0.05 2 979 99 99 GLY HA3 H 3.778 0.05 2 980 99 99 GLY C C 174.033 0.15 1 981 99 99 GLY CA C 45.123 0.15 1 982 99 99 GLY N N 111.534 0.15 1 983 100 100 GLU H H 8.177 0.05 1 984 100 100 GLU HA H 4.201 0.05 1 985 100 100 GLU HB2 H 1.887 0.05 2 986 100 100 GLU HB3 H 2.066 0.05 2 987 100 100 GLU HG2 H 2.207 0.05 2 988 100 100 GLU HG3 H 2.249 0.05 2 989 100 100 GLU C C 175.830 0.15 1 990 100 100 GLU CA C 56.442 0.15 1 991 100 100 GLU CB C 30.428 0.15 1 992 100 100 GLU CG C 36.352 0.15 1 993 100 100 GLU N N 120.463 0.15 1 994 101 101 GLN H H 8.161 0.05 1 995 101 101 GLN HA H 4.098 0.05 1 996 101 101 GLN HB2 H 1.783 0.05 2 997 101 101 GLN HB3 H 1.905 0.05 2 998 101 101 GLN HG2 H 2.207 0.05 2 999 101 101 GLN HE21 H 7.516 0.05 2 1000 101 101 GLN HE22 H 6.830 0.05 2 1001 101 101 GLN C C 175.412 0.15 1 1002 101 101 GLN CA C 55.632 0.15 1 1003 101 101 GLN CB C 29.569 0.15 1 1004 101 101 GLN CG C 33.558 0.15 1 1005 101 101 GLN N N 120.014 0.15 1 1006 101 101 GLN NE2 N 112.222 0.15 1 1007 102 102 LYS H H 8.235 0.05 1 1008 102 102 LYS HA H 4.387 0.05 1 1009 102 102 LYS HB2 H 1.614 0.05 2 1010 102 102 LYS HG2 H 1.027 0.05 2 1011 102 102 LYS HG3 H 1.254 0.05 2 1012 102 102 LYS HD2 H 1.601 0.05 2 1013 102 102 LYS HD3 H 1.581 0.05 2 1014 102 102 LYS HE2 H 2.933 0.05 2 1015 102 102 LYS CA C 54.116 0.15 1 1016 102 102 LYS CB C 32.478 0.15 1 1017 102 102 LYS CG C 24.513 0.15 1 1018 102 102 LYS CD C 29.128 0.15 1 1019 102 102 LYS CE C 42.085 0.15 1 1020 102 102 LYS N N 123.399 0.15 1 1021 103 103 PRO HA H 4.498 0.05 1 1022 103 103 PRO HB2 H 2.194 0.05 2 1023 103 103 PRO HB3 H 1.956 0.05 2 1024 103 103 PRO HG2 H 1.957 0.05 2 1025 103 103 PRO HD2 H 3.471 0.05 2 1026 103 103 PRO HD3 H 3.903 0.05 2 1027 103 103 PRO C C 175.473 0.15 1 1028 103 103 PRO CA C 62.802 0.15 1 1029 103 103 PRO CB C 32.124 0.15 1 1030 103 103 PRO CG C 27.440 0.15 1 1031 103 103 PRO CD C 50.250 0.15 1 1032 104 104 ALA H H 8.017 0.05 1 1033 104 104 ALA HA H 4.318 0.05 1 1034 104 104 ALA HB H 1.370 0.05 1 1035 104 104 ALA C C 176.717 0.15 1 1036 104 104 ALA CA C 52.194 0.15 1 1037 104 104 ALA CB C 20.113 0.15 1 1038 104 104 ALA N N 122.093 0.15 1 1039 105 105 GLY H H 7.678 0.05 1 1040 105 105 GLY HA2 H 3.851 0.05 2 1041 105 105 GLY HA3 H 4.053 0.05 2 1042 105 105 GLY C C 172.990 0.15 1 1043 105 105 GLY CA C 44.241 0.15 1 1044 105 105 GLY N N 105.234 0.15 1 1045 106 106 VAL H H 8.409 0.05 1 1046 106 106 VAL HA H 2.829 0.05 1 1047 106 106 VAL HB H -0.017 0.05 1 1048 106 106 VAL HG1 H -0.723 0.05 2 1049 106 106 VAL HG2 H 0.362 0.05 2 1050 106 106 VAL C C 177.822 0.15 1 1051 106 106 VAL CA C 65.522 0.15 1 1052 106 106 VAL CB C 30.701 0.15 1 1053 106 106 VAL CG1 C 20.226 0.15 2 1054 106 106 VAL CG2 C 23.630 0.15 2 1055 106 106 VAL N N 119.215 0.15 1 1056 107 107 ALA H H 8.707 0.05 1 1057 107 107 ALA HA H 3.730 0.05 1 1058 107 107 ALA HB H 1.521 0.05 1 1059 107 107 ALA C C 179.661 0.15 1 1060 107 107 ALA CA C 54.995 0.15 1 1061 107 107 ALA CB C 17.705 0.15 1 1062 107 107 ALA N N 118.672 0.15 1 1063 108 108 ALA H H 7.388 0.05 1 1064 108 108 ALA HA H 4.259 0.05 1 1065 108 108 ALA HB H 1.490 0.05 1 1066 108 108 ALA C C 179.318 0.15 1 1067 108 108 ALA CA C 53.481 0.15 1 1068 108 108 ALA CB C 19.367 0.15 1 1069 108 108 ALA N N 116.635 0.15 1 1070 109 109 VAL H H 7.689 0.05 1 1071 109 109 VAL HA H 4.532 0.05 1 1072 109 109 VAL HB H 2.333 0.05 1 1073 109 109 VAL HG1 H 0.940 0.05 2 1074 109 109 VAL HG2 H 0.897 0.05 2 1075 109 109 VAL C C 176.055 0.15 1 1076 109 109 VAL CA C 61.452 0.15 1 1077 109 109 VAL CB C 32.728 0.15 1 1078 109 109 VAL CG1 C 21.637 0.15 2 1079 109 109 VAL CG2 C 21.156 0.15 2 1080 109 109 VAL N N 112.851 0.15 1 1081 110 110 LEU H H 7.099 0.05 1 1082 110 110 LEU HA H 3.723 0.05 1 1083 110 110 LEU HB2 H 1.750 0.05 2 1084 110 110 LEU HB3 H 1.503 0.05 2 1085 110 110 LEU HG H 1.809 0.05 1 1086 110 110 LEU HD1 H 0.160 0.05 2 1087 110 110 LEU HD2 H 0.725 0.05 2 1088 110 110 LEU C C 179.040 0.15 1 1089 110 110 LEU CA C 58.825 0.15 1 1090 110 110 LEU CB C 41.242 0.15 1 1091 110 110 LEU CG C 25.715 0.15 1 1092 110 110 LEU CD1 C 22.301 0.15 2 1093 110 110 LEU CD2 C 25.566 0.15 2 1094 110 110 LEU N N 119.829 0.15 1 1095 111 111 GLY H H 8.435 0.05 1 1096 111 111 GLY HA2 H 3.970 0.05 2 1097 111 111 GLY HA3 H 3.885 0.05 2 1098 111 111 GLY C C 178.031 0.15 1 1099 111 111 GLY CA C 46.961 0.15 1 1100 111 111 GLY N N 104.089 0.15 1 1101 112 112 SER H H 8.343 0.05 1 1102 112 112 SER HA H 4.266 0.05 1 1103 112 112 SER HB2 H 3.975 0.05 2 1104 112 112 SER C C 175.885 0.15 1 1105 112 112 SER CA C 61.304 0.15 1 1106 112 112 SER CB C 62.901 0.15 1 1107 112 112 SER N N 119.497 0.15 1 1108 113 113 LEU H H 7.667 0.05 1 1109 113 113 LEU HA H 4.343 0.05 1 1110 113 113 LEU HB2 H 1.544 0.05 2 1111 113 113 LEU HG H 1.664 0.05 1 1112 113 113 LEU HD1 H 0.621 0.05 2 1113 113 113 LEU HD2 H 0.587 0.05 2 1114 113 113 LEU C C 174.760 0.15 1 1115 113 113 LEU CA C 54.228 0.15 1 1116 113 113 LEU CB C 41.467 0.15 1 1117 113 113 LEU CG C 26.346 0.15 1 1118 113 113 LEU CD1 C 26.896 0.15 2 1119 113 113 LEU CD2 C 21.771 0.15 2 1120 113 113 LEU N N 118.843 0.15 1 1121 114 114 LYS H H 7.685 0.05 1 1122 114 114 LYS HA H 3.958 0.05 1 1123 114 114 LYS HB2 H 1.827 0.05 2 1124 114 114 LYS HB3 H 1.729 0.05 2 1125 114 114 LYS HG2 H 1.399 0.05 2 1126 114 114 LYS C C 177.557 0.15 1 1127 114 114 LYS CA C 56.935 0.15 1 1128 114 114 LYS CB C 28.898 0.15 1 1129 114 114 LYS CG C 24.945 0.15 1 1130 114 114 LYS N N 114.072 0.15 1 1131 115 115 LEU H H 8.329 0.05 1 1132 115 115 LEU HA H 4.315 0.05 1 1133 115 115 LEU HB2 H 1.007 0.05 2 1134 115 115 LEU HB3 H 1.876 0.05 2 1135 115 115 LEU HD1 H 0.632 0.05 2 1136 115 115 LEU HD2 H 0.792 0.05 2 1137 115 115 LEU C C 175.988 0.15 1 1138 115 115 LEU CA C 54.310 0.15 1 1139 115 115 LEU CB C 44.163 0.15 1 1140 115 115 LEU CD1 C 26.921 0.15 2 1141 115 115 LEU CD2 C 24.674 0.15 2 1142 115 115 LEU N N 117.951 0.15 1 1143 116 116 GLN H H 9.100 0.05 1 1144 116 116 GLN HA H 4.898 0.05 1 1145 116 116 GLN HB2 H 2.130 0.05 2 1146 116 116 GLN HB3 H 2.217 0.05 2 1147 116 116 GLN HG2 H 2.487 0.05 2 1148 116 116 GLN HG3 H 2.237 0.05 2 1149 116 116 GLN HE21 H 7.419 0.05 2 1150 116 116 GLN HE22 H 6.959 0.05 2 1151 116 116 GLN CA C 53.467 0.15 1 1152 116 116 GLN CB C 32.730 0.15 1 1153 116 116 GLN CG C 33.067 0.15 1 1154 116 116 GLN N N 119.994 0.15 1 1155 116 116 GLN NE2 N 111.216 0.15 1 1156 117 117 GLU H H 8.849 0.05 1 1157 117 117 GLU HA H 3.707 0.05 1 1158 117 117 GLU HB2 H 1.657 0.05 2 1159 117 117 GLU HB3 H 1.815 0.05 2 1160 117 117 GLU HG2 H 1.781 0.05 2 1161 117 117 GLU HG3 H 1.980 0.05 2 1162 117 117 GLU C C 177.303 0.15 1 1163 117 117 GLU CA C 57.233 0.15 1 1164 117 117 GLU CB C 29.634 0.15 1 1165 117 117 GLU CG C 36.356 0.15 1 1166 117 117 GLU N N 121.487 0.15 1 1167 118 118 VAL H H 8.983 0.05 1 1168 118 118 VAL HA H 4.360 0.05 1 1169 118 118 VAL HB H 1.906 0.05 1 1170 118 118 VAL HG1 H 0.901 0.05 2 1171 118 118 VAL HG2 H 0.919 0.05 2 1172 118 118 VAL C C 174.171 0.15 1 1173 118 118 VAL CA C 61.772 0.15 1 1174 118 118 VAL CB C 34.095 0.15 1 1175 118 118 VAL CG1 C 20.769 0.15 2 1176 118 118 VAL CG2 C 21.315 0.15 2 1177 118 118 VAL N N 122.933 0.15 1 1178 119 119 ALA H H 7.023 0.05 1 1179 119 119 ALA HA H 4.378 0.05 1 1180 119 119 ALA HB H 0.829 0.05 1 1181 119 119 ALA C C 175.493 0.15 1 1182 119 119 ALA CA C 51.956 0.15 1 1183 119 119 ALA CB C 23.957 0.15 1 1184 119 119 ALA N N 117.379 0.15 1 1185 120 120 SER H H 6.999 0.05 1 1186 120 120 SER HA H 5.208 0.05 1 1187 120 120 SER HB2 H 3.530 0.05 2 1188 120 120 SER HB3 H 3.732 0.05 2 1189 120 120 SER C C 173.082 0.15 1 1190 120 120 SER CA C 56.754 0.15 1 1191 120 120 SER CB C 64.605 0.15 1 1192 120 120 SER N N 113.743 0.15 1 1193 121 121 PHE H H 8.244 0.05 1 1194 121 121 PHE HA H 5.177 0.05 1 1195 121 121 PHE HB2 H 3.567 0.05 2 1196 121 121 PHE HB3 H 3.798 0.05 2 1197 121 121 PHE HD2 H 6.774 0.05 1 1198 121 121 PHE HE2 H 6.553 0.05 1 1199 121 121 PHE C C 173.569 0.15 1 1200 121 121 PHE CA C 55.555 0.15 1 1201 121 121 PHE CB C 40.959 0.15 1 1202 121 121 PHE CD2 C 132.954 0.15 1 1203 121 121 PHE CE2 C 132.039 0.15 1 1204 121 121 PHE N N 120.358 0.15 1 1205 122 122 ILE H H 8.907 0.05 1 1206 122 122 ILE HA H 4.682 0.05 1 1207 122 122 ILE HB H 1.700 0.05 1 1208 122 122 ILE HG2 H 0.718 0.05 1 1209 122 122 ILE HD1 H 0.865 0.05 1 1210 122 122 ILE C C 176.925 0.15 1 1211 122 122 ILE CA C 60.740 0.15 1 1212 122 122 ILE CB C 39.497 0.15 1 1213 122 122 ILE CG2 C 18.026 0.15 1 1214 122 122 ILE CD1 C 13.129 0.15 1 1215 122 122 ILE N N 121.282 0.15 1 1216 123 123 THR H H 9.022 0.05 1 1217 123 123 THR HA H 5.039 0.05 1 1218 123 123 THR HB H 3.126 0.05 1 1219 123 123 THR HG2 H 1.010 0.05 1 1220 123 123 THR C C 173.531 0.15 1 1221 123 123 THR CA C 62.266 0.15 1 1222 123 123 THR CB C 70.677 0.15 1 1223 123 123 THR CG2 C 22.346 0.15 1 1224 123 123 THR N N 128.965 0.15 1 1225 124 124 THR H H 8.961 0.05 1 1226 124 124 THR HA H 5.001 0.05 1 1227 124 124 THR HB H 3.902 0.05 1 1228 124 124 THR HG2 H 1.127 0.05 1 1229 124 124 THR C C 173.468 0.15 1 1230 124 124 THR CA C 62.109 0.15 1 1231 124 124 THR CB C 70.450 0.15 1 1232 124 124 THR CG2 C 20.506 0.15 1 1233 124 124 THR N N 122.176 0.15 1 1234 125 125 ARG H H 9.386 0.05 1 1235 125 125 ARG HA H 5.764 0.05 1 1236 125 125 ARG HB2 H 2.009 0.05 2 1237 125 125 ARG HB3 H 1.750 0.05 2 1238 125 125 ARG HG2 H 1.704 0.05 2 1239 125 125 ARG HG3 H 1.638 0.05 2 1240 125 125 ARG HD2 H 3.333 0.05 2 1241 125 125 ARG HD3 H 3.253 0.05 2 1242 125 125 ARG C C 175.713 0.15 1 1243 125 125 ARG CA C 53.991 0.15 1 1244 125 125 ARG CB C 33.557 0.15 1 1245 125 125 ARG CG C 27.789 0.15 1 1246 125 125 ARG CD C 43.543 0.15 1 1247 125 125 ARG N N 130.004 0.15 1 1248 126 126 SER H H 9.172 0.05 1 1249 126 126 SER HA H 5.390 0.05 1 1250 126 126 SER HB2 H 3.940 0.05 2 1251 126 126 SER HB3 H 3.877 0.05 2 1252 126 126 SER C C 172.359 0.15 1 1253 126 126 SER CA C 56.934 0.15 1 1254 126 126 SER CB C 65.827 0.15 1 1255 126 126 SER N N 119.906 0.15 1 1256 127 127 SER H H 8.591 0.05 1 1257 127 127 SER HA H 5.739 0.05 1 1258 127 127 SER HB2 H 3.549 0.05 2 1259 127 127 SER C C 173.283 0.15 1 1260 127 127 SER CA C 57.354 0.15 1 1261 127 127 SER CB C 65.412 0.15 1 1262 127 127 SER N N 117.914 0.15 1 1263 128 128 TRP H H 9.866 0.05 1 1264 128 128 TRP HA H 5.560 0.05 1 1265 128 128 TRP HB2 H 3.195 0.05 2 1266 128 128 TRP HB3 H 3.148 0.05 2 1267 128 128 TRP HD1 H 7.071 0.05 1 1268 128 128 TRP HE1 H 10.315 0.05 1 1269 128 128 TRP HE3 H 7.339 0.05 1 1270 128 128 TRP HZ2 H 7.346 0.05 1 1271 128 128 TRP HZ3 H 6.928 0.05 1 1272 128 128 TRP HH2 H 7.136 0.05 1 1273 128 128 TRP C C 175.828 0.15 1 1274 128 128 TRP CA C 55.852 0.15 1 1275 128 128 TRP CB C 32.524 0.15 1 1276 128 128 TRP CD1 C 126.377 0.15 1 1277 128 128 TRP CE3 C 119.592 0.15 1 1278 128 128 TRP CZ2 C 114.024 0.15 1 1279 128 128 TRP CZ3 C 121.731 0.15 1 1280 128 128 TRP CH2 C 124.270 0.15 1 1281 128 128 TRP N N 127.978 0.15 1 1282 128 128 TRP NE1 N 129.163 0.15 1 1283 129 129 LYS H H 9.424 0.05 1 1284 129 129 LYS HA H 5.388 0.05 1 1285 129 129 LYS HB2 H 1.811 0.05 2 1286 129 129 LYS HG2 H 1.391 0.05 2 1287 129 129 LYS HG3 H 1.460 0.05 2 1288 129 129 LYS HD2 H 1.584 0.05 2 1289 129 129 LYS HD3 H 1.741 0.05 2 1290 129 129 LYS HE2 H 2.904 0.05 2 1291 129 129 LYS C C 175.254 0.15 1 1292 129 129 LYS CA C 54.410 0.15 1 1293 129 129 LYS CB C 35.734 0.15 1 1294 129 129 LYS CG C 25.006 0.15 1 1295 129 129 LYS CD C 28.977 0.15 1 1296 129 129 LYS CE C 42.103 0.15 1 1297 129 129 LYS N N 121.784 0.15 1 1298 130 130 LEU H H 8.933 0.05 1 1299 130 130 LEU HA H 4.859 0.05 1 1300 130 130 LEU HB2 H 1.775 0.05 2 1301 130 130 LEU HB3 H 1.078 0.05 2 1302 130 130 LEU HD1 H 0.820 0.05 2 1303 130 130 LEU C C 173.893 0.15 1 1304 130 130 LEU CA C 53.848 0.15 1 1305 130 130 LEU CB C 46.125 0.15 1 1306 130 130 LEU CD1 C 23.495 0.15 2 1307 130 130 LEU N N 124.543 0.15 1 1308 131 131 ALA H H 8.816 0.05 1 1309 131 131 ALA HA H 4.776 0.05 1 1310 131 131 ALA HB H 1.404 0.05 1 1311 131 131 ALA C C 176.662 0.15 1 1312 131 131 ALA CA C 51.407 0.15 1 1313 131 131 ALA CB C 19.354 0.15 1 1314 131 131 ALA N N 131.102 0.15 1 1315 132 132 LEU H H 8.487 0.05 1 1316 132 132 LEU HA H 4.470 0.05 1 1317 132 132 LEU HB2 H 1.628 0.05 2 1318 132 132 LEU HD1 H 0.893 0.05 2 1319 132 132 LEU HD2 H 0.910 0.05 2 1320 132 132 LEU C C 176.873 0.15 1 1321 132 132 LEU CA C 54.590 0.15 1 1322 132 132 LEU CB C 42.974 0.15 1 1323 132 132 LEU CD1 C 23.361 0.15 2 1324 132 132 LEU CD2 C 25.358 0.15 2 1325 132 132 LEU N N 123.724 0.15 1 1326 133 133 SER H H 8.448 0.05 1 1327 133 133 SER HA H 4.560 0.05 1 1328 133 133 SER HB2 H 3.919 0.05 2 1329 133 133 SER C C 176.043 0.15 1 1330 133 133 SER CA C 58.460 0.15 1 1331 133 133 SER CB C 63.985 0.15 1 1332 133 133 SER N N 115.880 0.15 1 1333 134 134 GLY H H 8.232 0.05 1 1334 134 134 GLY HA2 H 4.147 0.05 2 1335 134 134 GLY HA3 H 4.045 0.05 2 1336 134 134 GLY C C 174.013 0.15 1 1337 134 134 GLY CA C 45.337 0.15 1 1338 134 134 GLY N N 109.970 0.15 1 1339 135 135 ALA H H 8.424 0.05 1 1340 135 135 ALA HA H 4.436 0.05 1 1341 135 135 ALA HB H 1.453 0.05 1 1342 135 135 ALA C C 177.537 0.15 1 1343 135 135 ALA CA C 52.721 0.15 1 1344 135 135 ALA CB C 19.265 0.15 1 1345 135 135 ALA N N 124.118 0.15 1 1346 136 136 HIS H H 8.466 0.05 1 1347 136 136 HIS HA H 4.379 0.05 1 1348 136 136 HIS C C 176.259 0.15 1 1349 136 136 HIS CA C 56.082 0.15 1 1350 136 136 HIS CB C 29.619 0.15 1 1351 136 136 HIS N N 119.493 0.15 1 1352 137 137 GLY H H 8.431 0.05 1 1353 137 137 GLY HA2 H 4.151 0.05 2 1354 137 137 GLY HA3 H 3.893 0.05 2 1355 137 137 GLY C C 174.039 0.15 1 1356 137 137 GLY CA C 45.372 0.15 1 1357 137 137 GLY N N 110.442 0.15 1 1358 138 138 GLN H H 8.416 0.05 1 1359 138 138 GLN HA H 4.455 0.05 1 1360 138 138 GLN HB2 H 2.018 0.05 2 1361 138 138 GLN HB3 H 2.203 0.05 2 1362 138 138 GLN HG2 H 2.380 0.05 2 1363 138 138 GLN C C 175.889 0.15 1 1364 138 138 GLN CA C 55.866 0.15 1 1365 138 138 GLN CB C 29.639 0.15 1 1366 138 138 GLN N N 119.401 0.15 1 1367 139 139 GLU H H 8.446 0.05 1 1368 139 139 GLU HA H 4.658 0.05 1 1369 139 139 GLU HB2 H 1.918 0.05 2 1370 139 139 GLU HB3 H 2.078 0.05 2 1371 139 139 GLU HG2 H 2.293 0.05 2 1372 139 139 GLU CA C 54.589 0.15 1 1373 139 139 GLU CB C 29.733 0.15 1 1374 139 139 GLU CG C 36.129 0.15 1 1375 139 139 GLU N N 123.136 0.15 1 1376 140 140 PRO HA H 4.537 0.05 1 1377 140 140 PRO HB2 H 2.374 0.05 2 1378 140 140 PRO HG2 H 2.048 0.05 2 1379 140 140 PRO HD2 H 3.736 0.05 2 1380 140 140 PRO HD3 H 3.889 0.05 2 1381 140 140 PRO C C 176.119 0.15 1 1382 140 140 PRO CA C 63.220 0.15 1 1383 140 140 PRO CB C 31.936 0.15 1 1384 140 140 PRO CG C 27.478 0.15 1 1385 140 140 PRO CD C 50.597 0.15 1 1386 141 141 GLN H H 8.506 0.05 1 1387 141 141 GLN HA H 4.650 0.05 1 1388 141 141 GLN HB2 H 2.033 0.05 2 1389 141 141 GLN HB3 H 2.114 0.05 2 1390 141 141 GLN HG2 H 2.404 0.05 2 1391 141 141 GLN HG3 H 2.343 0.05 2 1392 141 141 GLN HE21 H 6.965 0.05 2 1393 141 141 GLN HE22 H 7.567 0.05 2 1394 141 141 GLN C C 175.811 0.15 1 1395 141 141 GLN CA C 55.912 0.15 1 1396 141 141 GLN CB C 30.241 0.15 1 1397 141 141 GLN CG C 34.343 0.15 1 1398 141 141 GLN N N 120.422 0.15 1 1399 142 142 LEU H H 8.842 0.05 1 1400 142 142 LEU HA H 5.277 0.05 1 1401 142 142 LEU HB2 H 1.848 0.05 2 1402 142 142 LEU HB3 H 1.443 0.05 2 1403 142 142 LEU HG H 0.791 0.05 1 1404 142 142 LEU HD1 H 0.820 0.05 2 1405 142 142 LEU HD2 H 0.825 0.05 2 1406 142 142 LEU C C 176.839 0.15 1 1407 142 142 LEU CA C 53.927 0.15 1 1408 142 142 LEU CB C 44.527 0.15 1 1409 142 142 LEU CG C 26.840 0.15 1 1410 142 142 LEU CD1 C 24.656 0.15 2 1411 142 142 LEU CD2 C 26.032 0.15 2 1412 142 142 LEU N N 123.692 0.15 1 1413 143 143 THR H H 9.025 0.05 1 1414 143 143 THR HA H 5.262 0.05 1 1415 143 143 THR HB H 4.166 0.05 1 1416 143 143 THR HG2 H 1.271 0.05 1 1417 143 143 THR C C 173.753 0.15 1 1418 143 143 THR CA C 61.795 0.15 1 1419 143 143 THR CB C 70.660 0.15 1 1420 143 143 THR CG2 C 21.778 0.15 1 1421 143 143 THR N N 117.222 0.15 1 1422 144 144 ILE H H 9.353 0.05 1 1423 144 144 ILE HA H 5.399 0.05 1 1424 144 144 ILE HB H 1.821 0.05 1 1425 144 144 ILE HG12 H 1.564 0.05 2 1426 144 144 ILE HG13 H 1.108 0.05 2 1427 144 144 ILE HG2 H 0.903 0.05 1 1428 144 144 ILE HD1 H 0.768 0.05 1 1429 144 144 ILE C C 173.931 0.15 1 1430 144 144 ILE CA C 60.774 0.15 1 1431 144 144 ILE CB C 41.111 0.15 1 1432 144 144 ILE CG1 C 30.554 0.15 1 1433 144 144 ILE CG2 C 19.909 0.15 1 1434 144 144 ILE CD1 C 16.412 0.15 1 1435 144 144 ILE N N 126.383 0.15 1 1436 145 145 ASP H H 9.214 0.05 1 1437 145 145 ASP HA H 5.978 0.05 1 1438 145 145 ASP HB2 H 2.634 0.05 2 1439 145 145 ASP C C 175.441 0.15 1 1440 145 145 ASP CA C 53.035 0.15 1 1441 145 145 ASP CB C 44.153 0.15 1 1442 145 145 ASP N N 127.981 0.15 1 1443 146 146 LEU H H 9.387 0.05 1 1444 146 146 LEU HA H 4.918 0.05 1 1445 146 146 LEU HB2 H 1.647 0.05 2 1446 146 146 LEU HB3 H 2.064 0.05 2 1447 146 146 LEU HG H 1.668 0.05 1 1448 146 146 LEU HD1 H 0.897 0.05 2 1449 146 146 LEU HD2 H 0.855 0.05 2 1450 146 146 LEU C C 175.003 0.15 1 1451 146 146 LEU CA C 53.940 0.15 1 1452 146 146 LEU CB C 43.902 0.15 1 1453 146 146 LEU CG C 27.359 0.15 1 1454 146 146 LEU CD1 C 25.832 0.15 2 1455 146 146 LEU CD2 C 24.576 0.15 2 1456 146 146 LEU N N 123.532 0.15 1 1457 147 147 ASP H H 8.676 0.05 1 1458 147 147 ASP HA H 5.205 0.05 1 1459 147 147 ASP HB2 H 2.891 0.05 2 1460 147 147 ASP HB3 H 2.529 0.05 2 1461 147 147 ASP C C 174.956 0.15 1 1462 147 147 ASP CA C 53.441 0.15 1 1463 147 147 ASP CB C 43.370 0.15 1 1464 147 147 ASP N N 125.499 0.15 1 1465 148 148 SER H H 8.732 0.05 1 1466 148 148 SER HA H 5.365 0.05 1 1467 148 148 SER HB2 H 3.862 0.05 2 1468 148 148 SER C C 173.217 0.15 1 1469 148 148 SER CA C 56.334 0.15 1 1470 148 148 SER CB C 65.812 0.15 1 1471 148 148 SER N N 118.623 0.15 1 1472 149 149 ALA H H 8.937 0.05 1 1473 149 149 ALA HA H 5.681 0.05 1 1474 149 149 ALA HB H 0.971 0.05 1 1475 149 149 ALA C C 178.894 0.15 1 1476 149 149 ALA CA C 49.996 0.15 1 1477 149 149 ALA CB C 23.231 0.15 1 1478 149 149 ALA N N 123.952 0.15 1 1479 150 150 ASP H H 9.010 0.05 1 1480 150 150 ASP HA H 4.336 0.05 1 1481 150 150 ASP HB2 H 2.855 0.05 2 1482 150 150 ASP HB3 H 3.090 0.05 2 1483 150 150 ASP C C 176.697 0.15 1 1484 150 150 ASP CA C 56.543 0.15 1 1485 150 150 ASP CB C 39.850 0.15 1 1486 150 150 ASP N N 122.687 0.15 1 1487 151 151 PHE H H 7.295 0.05 1 1488 151 151 PHE HA H 5.020 0.05 1 1489 151 151 PHE HB2 H 3.794 0.05 2 1490 151 151 PHE HB3 H 3.439 0.05 2 1491 151 151 PHE HD2 H 7.399 0.05 1 1492 151 151 PHE HE2 H 7.100 0.05 1 1493 151 151 PHE C C 174.756 0.15 1 1494 151 151 PHE CA C 56.594 0.15 1 1495 151 151 PHE CB C 37.765 0.15 1 1496 151 151 PHE CD2 C 132.780 0.15 1 1497 151 151 PHE CE2 C 130.619 0.15 1 1498 151 151 PHE N N 113.928 0.15 1 1499 152 152 GLY H H 7.786 0.05 1 1500 152 152 GLY HA2 H 4.459 0.05 2 1501 152 152 GLY HA3 H 3.728 0.05 2 1502 152 152 GLY C C 172.709 0.15 1 1503 152 152 GLY CA C 46.106 0.15 1 1504 152 152 GLY N N 110.312 0.15 1 1505 153 153 TYR H H 6.650 0.05 1 1506 153 153 TYR HA H 4.508 0.05 1 1507 153 153 TYR HB2 H 1.893 0.05 2 1508 153 153 TYR HB3 H 2.627 0.05 2 1509 153 153 TYR HD2 H 6.815 0.05 1 1510 153 153 TYR HE2 H 6.704 0.05 1 1511 153 153 TYR C C 173.092 0.15 1 1512 153 153 TYR CA C 57.464 0.15 1 1513 153 153 TYR CB C 41.962 0.15 1 1514 153 153 TYR CD2 C 132.554 0.15 1 1515 153 153 TYR CE2 C 118.668 0.15 1 1516 153 153 TYR N N 121.977 0.15 1 1517 154 154 ALA H H 7.847 0.05 1 1518 154 154 ALA HA H 5.144 0.05 1 1519 154 154 ALA HB H 1.236 0.05 1 1520 154 154 ALA C C 174.468 0.15 1 1521 154 154 ALA CA C 51.776 0.15 1 1522 154 154 ALA CB C 21.747 0.15 1 1523 154 154 ALA N N 130.258 0.15 1 1524 155 155 VAL H H 8.733 0.05 1 1525 155 155 VAL HA H 4.150 0.05 1 1526 155 155 VAL HB H 1.937 0.05 1 1527 155 155 VAL HG2 H 0.879 0.05 2 1528 155 155 VAL C C 172.632 0.15 1 1529 155 155 VAL CA C 61.451 0.15 1 1530 155 155 VAL CB C 35.883 0.15 1 1531 155 155 VAL CG2 C 20.955 0.15 2 1532 155 155 VAL N N 119.622 0.15 1 1533 156 156 GLY H H 8.146 0.05 1 1534 156 156 GLY HA2 H 5.125 0.05 2 1535 156 156 GLY HA3 H 2.061 0.05 2 1536 156 156 GLY C C 171.746 0.15 1 1537 156 156 GLY CA C 43.319 0.15 1 1538 156 156 GLY N N 113.332 0.15 1 1539 157 157 GLU H H 8.967 0.05 1 1540 157 157 GLU HA H 5.217 0.05 1 1541 157 157 GLU HB2 H 2.044 0.05 2 1542 157 157 GLU HB3 H 2.153 0.05 2 1543 157 157 GLU HG2 H 2.254 0.05 2 1544 157 157 GLU C C 174.476 0.15 1 1545 157 157 GLU CA C 55.390 0.15 1 1546 157 157 GLU CB C 34.010 0.15 1 1547 157 157 GLU CG C 36.362 0.15 1 1548 157 157 GLU N N 120.823 0.15 1 1549 158 158 VAL H H 9.076 0.05 1 1550 158 158 VAL HA H 5.206 0.05 1 1551 158 158 VAL HB H 2.086 0.05 1 1552 158 158 VAL HG2 H 0.961 0.05 2 1553 158 158 VAL C C 173.900 0.15 1 1554 158 158 VAL CA C 60.813 0.15 1 1555 158 158 VAL CB C 33.385 0.15 1 1556 158 158 VAL CG2 C 22.233 0.15 2 1557 158 158 VAL N N 124.349 0.15 1 1558 159 159 GLU H H 9.239 0.05 1 1559 159 159 GLU HA H 5.647 0.05 1 1560 159 159 GLU HB2 H 2.074 0.05 2 1561 159 159 GLU HB3 H 2.139 0.05 2 1562 159 159 GLU HG2 H 2.313 0.05 2 1563 159 159 GLU HG3 H 2.129 0.05 2 1564 159 159 GLU C C 174.469 0.15 1 1565 159 159 GLU CA C 54.473 0.15 1 1566 159 159 GLU CB C 33.852 0.15 1 1567 159 159 GLU CG C 35.014 0.15 1 1568 159 159 GLU N N 125.772 0.15 1 1569 160 160 ALA H H 9.250 0.05 1 1570 160 160 ALA HA H 4.966 0.05 1 1571 160 160 ALA HB H 1.311 0.05 1 1572 160 160 ALA C C 175.114 0.15 1 1573 160 160 ALA CA C 50.644 0.15 1 1574 160 160 ALA CB C 23.263 0.15 1 1575 160 160 ALA N N 125.092 0.15 1 1576 161 161 MET H H 8.559 0.05 1 1577 161 161 MET HA H 5.468 0.05 1 1578 161 161 MET HB2 H 1.779 0.05 2 1579 161 161 MET HB3 H 1.989 0.05 2 1580 161 161 MET HG2 H 2.606 0.05 2 1581 161 161 MET HG3 H 2.479 0.05 2 1582 161 161 MET HE H 2.012 0.05 1 1583 161 161 MET C C 176.265 0.15 1 1584 161 161 MET CA C 53.818 0.15 1 1585 161 161 MET CB C 34.380 0.15 1 1586 161 161 MET CG C 32.434 0.15 1 1587 161 161 MET CE C 17.397 0.15 1 1588 161 161 MET N N 118.699 0.15 1 1589 162 162 VAL H H 9.046 0.05 1 1590 162 162 VAL HA H 4.841 0.05 1 1591 162 162 VAL HB H 2.573 0.05 1 1592 162 162 VAL HG1 H 0.698 0.05 2 1593 162 162 VAL HG2 H 0.844 0.05 2 1594 162 162 VAL C C 174.794 0.15 1 1595 162 162 VAL CA C 59.107 0.15 1 1596 162 162 VAL CB C 34.018 0.15 1 1597 162 162 VAL CG1 C 19.914 0.15 2 1598 162 162 VAL CG2 C 22.209 0.15 2 1599 162 162 VAL N N 116.435 0.15 1 1600 163 163 HIS H H 8.793 0.05 1 1601 163 163 HIS HA H 4.717 0.05 1 1602 163 163 HIS HB2 H 3.344 0.05 2 1603 163 163 HIS HD2 H 7.262 0.05 1 1604 163 163 HIS HE1 H 8.121 0.05 1 1605 163 163 HIS C C 175.460 0.15 1 1606 163 163 HIS CA C 58.488 0.15 1 1607 163 163 HIS CB C 31.185 0.15 1 1608 163 163 HIS CE1 C 137.566 0.15 1 1609 163 163 HIS N N 117.838 0.15 1 1610 164 164 GLU H H 8.013 0.05 1 1611 164 164 GLU HA H 4.814 0.05 1 1612 164 164 GLU HB2 H 1.943 0.05 2 1613 164 164 GLU HB3 H 2.327 0.05 2 1614 164 164 GLU HG2 H 2.293 0.05 2 1615 164 164 GLU C C 176.910 0.15 1 1616 164 164 GLU CA C 54.355 0.15 1 1617 164 164 GLU CB C 32.886 0.15 1 1618 164 164 GLU CG C 35.945 0.15 1 1619 164 164 GLU N N 115.943 0.15 1 1620 165 165 LYS H H 9.088 0.05 1 1621 165 165 LYS HA H 3.942 0.05 1 1622 165 165 LYS HB2 H 1.915 0.05 2 1623 165 165 LYS HG2 H 1.615 0.05 2 1624 165 165 LYS HG3 H 1.533 0.05 2 1625 165 165 LYS HD2 H 1.776 0.05 2 1626 165 165 LYS HE2 H 3.072 0.05 2 1627 165 165 LYS C C 179.657 0.15 1 1628 165 165 LYS CA C 59.888 0.15 1 1629 165 165 LYS CB C 32.024 0.15 1 1630 165 165 LYS CG C 25.451 0.15 1 1631 165 165 LYS CD C 29.391 0.15 1 1632 165 165 LYS N N 124.120 0.15 1 1633 166 166 ALA H H 8.851 0.05 1 1634 166 166 ALA HA H 4.251 0.05 1 1635 166 166 ALA HB H 1.538 0.05 1 1636 166 166 ALA C C 178.920 0.15 1 1637 166 166 ALA CA C 54.318 0.15 1 1638 166 166 ALA CB C 18.810 0.15 1 1639 166 166 ALA N N 120.424 0.15 1 1640 167 167 GLU H H 7.871 0.05 1 1641 167 167 GLU HA H 4.404 0.05 1 1642 167 167 GLU HB2 H 1.953 0.05 2 1643 167 167 GLU HB3 H 1.974 0.05 2 1644 167 167 GLU HG2 H 2.382 0.05 2 1645 167 167 GLU C C 177.368 0.15 1 1646 167 167 GLU CA C 56.701 0.15 1 1647 167 167 GLU CB C 31.208 0.15 1 1648 167 167 GLU CG C 37.518 0.15 1 1649 167 167 GLU N N 114.926 0.15 1 1650 168 168 VAL H H 7.812 0.05 1 1651 168 168 VAL HA H 3.712 0.05 1 1652 168 168 VAL HB H 2.532 0.05 1 1653 168 168 VAL HG1 H 1.102 0.05 2 1654 168 168 VAL HG2 H 1.028 0.05 2 1655 168 168 VAL CA C 68.705 0.15 1 1656 168 168 VAL CB C 29.597 0.15 1 1657 168 168 VAL CG1 C 24.350 0.15 2 1658 168 168 VAL CG2 C 20.917 0.15 2 1659 168 168 VAL N N 120.188 0.15 1 1660 169 169 PRO HA H 4.252 0.05 1 1661 169 169 PRO HB2 H 2.397 0.05 2 1662 169 169 PRO HG2 H 1.995 0.05 2 1663 169 169 PRO C C 179.563 0.15 1 1664 169 169 PRO CA C 67.077 0.15 1 1665 170 170 ALA H H 8.149 0.05 1 1666 170 170 ALA HA H 4.265 0.05 1 1667 170 170 ALA HB H 1.514 0.05 1 1668 170 170 ALA C C 180.637 0.15 1 1669 170 170 ALA CA C 54.823 0.15 1 1670 170 170 ALA CB C 18.518 0.15 1 1671 170 170 ALA N N 119.210 0.15 1 1672 171 171 ALA H H 7.767 0.05 1 1673 171 171 ALA HA H 4.106 0.05 1 1674 171 171 ALA HB H 1.431 0.05 1 1675 171 171 ALA C C 179.371 0.15 1 1676 171 171 ALA CA C 55.130 0.15 1 1677 171 171 ALA CB C 18.291 0.15 1 1678 171 171 ALA N N 122.126 0.15 1 1679 172 172 LEU H H 8.950 0.05 1 1680 172 172 LEU HA H 3.987 0.05 1 1681 172 172 LEU HB2 H 1.646 0.05 2 1682 172 172 LEU HB3 H 1.797 0.05 2 1683 172 172 LEU HD1 H 0.894 0.05 2 1684 172 172 LEU C C 178.355 0.15 1 1685 172 172 LEU CA C 57.803 0.15 1 1686 172 172 LEU CB C 41.667 0.15 1 1687 172 172 LEU CD1 C 24.529 0.15 2 1688 172 172 LEU N N 118.682 0.15 1 1689 173 173 GLU H H 7.886 0.05 1 1690 173 173 GLU HA H 4.132 0.05 1 1691 173 173 GLU HB2 H 2.150 0.05 2 1692 173 173 GLU HG2 H 2.436 0.05 2 1693 173 173 GLU C C 179.556 0.15 1 1694 173 173 GLU CA C 59.800 0.15 1 1695 173 173 GLU CB C 29.580 0.15 1 1696 173 173 GLU CG C 36.303 0.15 1 1697 173 173 GLU N N 117.561 0.15 1 1698 174 174 LYS H H 7.532 0.05 1 1699 174 174 LYS HA H 4.131 0.05 1 1700 174 174 LYS HB2 H 1.912 0.05 2 1701 174 174 LYS HB3 H 2.073 0.05 2 1702 174 174 LYS HG2 H 1.602 0.05 2 1703 174 174 LYS HD2 H 2.000 0.05 2 1704 174 174 LYS HD3 H 1.766 0.05 2 1705 174 174 LYS HE2 H 2.967 0.05 2 1706 174 174 LYS HE3 H 2.992 0.05 2 1707 174 174 LYS CA C 58.999 0.15 1 1708 174 174 LYS CB C 32.041 0.15 1 1709 174 174 LYS CG C 25.048 0.15 1 1710 174 174 LYS CD C 27.807 0.15 1 1711 174 174 LYS CE C 42.182 0.15 1 1712 174 174 LYS N N 119.085 0.15 1 1713 175 175 ILE H H 8.479 0.05 1 1714 175 175 ILE HA H 3.583 0.05 1 1715 175 175 ILE HB H 2.056 0.05 1 1716 175 175 ILE HG12 H 1.112 0.05 2 1717 175 175 ILE HG13 H 1.063 0.05 2 1718 175 175 ILE HG2 H 0.835 0.05 1 1719 175 175 ILE HD1 H 0.781 0.05 1 1720 175 175 ILE C C 179.258 0.15 1 1721 175 175 ILE CA C 65.769 0.15 1 1722 175 175 ILE CB C 37.876 0.15 1 1723 175 175 ILE CG2 C 17.910 0.15 1 1724 175 175 ILE CD1 C 14.466 0.15 1 1725 175 175 ILE N N 118.828 0.15 1 1726 176 176 ILE H H 8.928 0.05 1 1727 176 176 ILE HA H 3.600 0.05 1 1728 176 176 ILE HB H 1.985 0.05 1 1729 176 176 ILE HG12 H 1.105 0.05 2 1730 176 176 ILE HG13 H 1.740 0.05 2 1731 176 176 ILE HG2 H 0.918 0.05 1 1732 176 176 ILE HD1 H 0.860 0.05 1 1733 176 176 ILE C C 178.827 0.15 1 1734 176 176 ILE CA C 65.640 0.15 1 1735 176 176 ILE CB C 37.451 0.15 1 1736 176 176 ILE CG1 C 29.551 0.15 1 1737 176 176 ILE CG2 C 17.187 0.15 1 1738 176 176 ILE CD1 C 13.091 0.15 1 1739 176 176 ILE N N 124.527 0.15 1 1740 177 177 THR H H 8.175 0.05 1 1741 177 177 THR HA H 3.885 0.05 1 1742 177 177 THR HB H 4.372 0.05 1 1743 177 177 THR HG2 H 1.236 0.05 1 1744 177 177 THR C C 176.867 0.15 1 1745 177 177 THR CA C 67.199 0.15 1 1746 177 177 THR CB C 68.377 0.15 1 1747 177 177 THR CG2 C 21.594 0.15 1 1748 177 177 THR N N 119.412 0.15 1 1749 178 178 VAL H H 8.352 0.05 1 1750 178 178 VAL HA H 3.572 0.05 1 1751 178 178 VAL HB H 1.898 0.05 1 1752 178 178 VAL HG1 H 0.627 0.05 2 1753 178 178 VAL HG2 H 0.929 0.05 2 1754 178 178 VAL C C 177.664 0.15 1 1755 178 178 VAL CA C 66.909 0.15 1 1756 178 178 VAL CB C 31.714 0.15 1 1757 178 178 VAL CG1 C 21.089 0.15 2 1758 178 178 VAL CG2 C 23.301 0.15 2 1759 178 178 VAL N N 121.168 0.15 1 1760 179 179 SER H H 8.529 0.05 1 1761 179 179 SER HA H 3.099 0.05 1 1762 179 179 SER HB2 H 3.540 0.05 2 1763 179 179 SER HB3 H 3.701 0.05 2 1764 179 179 SER C C 175.380 0.15 1 1765 179 179 SER CA C 62.728 0.15 1 1766 179 179 SER CB C 62.802 0.15 1 1767 179 179 SER N N 115.226 0.15 1 1768 180 180 SER H H 7.757 0.05 1 1769 180 180 SER HA H 4.419 0.05 1 1770 180 180 SER HB2 H 4.030 0.05 2 1771 180 180 SER HB3 H 3.974 0.05 2 1772 180 180 SER C C 175.359 0.15 1 1773 180 180 SER CA C 61.025 0.15 1 1774 180 180 SER CB C 63.072 0.15 1 1775 180 180 SER N N 114.718 0.15 1 1776 181 181 MET H H 7.497 0.05 1 1777 181 181 MET HA H 4.283 0.05 1 1778 181 181 MET HB2 H 2.027 0.05 2 1779 181 181 MET HB3 H 2.182 0.05 2 1780 181 181 MET HG2 H 2.529 0.05 2 1781 181 181 MET HG3 H 2.785 0.05 2 1782 181 181 MET HE H 2.040 0.05 1 1783 181 181 MET C C 177.217 0.15 1 1784 181 181 MET CA C 57.539 0.15 1 1785 181 181 MET CB C 33.493 0.15 1 1786 181 181 MET CG C 32.050 0.15 1 1787 181 181 MET CE C 17.274 0.15 1 1788 181 181 MET N N 119.274 0.15 1 1789 182 182 LEU H H 7.163 0.05 1 1790 182 182 LEU HA H 4.133 0.05 1 1791 182 182 LEU HB2 H 1.215 0.05 2 1792 182 182 LEU HB3 H 0.860 0.05 2 1793 182 182 LEU HG H 1.667 0.05 1 1794 182 182 LEU HD1 H 0.322 0.05 2 1795 182 182 LEU HD2 H 0.525 0.05 2 1796 182 182 LEU C C 176.289 0.15 1 1797 182 182 LEU CA C 54.750 0.15 1 1798 182 182 LEU CB C 43.235 0.15 1 1799 182 182 LEU CG C 25.449 0.15 1 1800 182 182 LEU CD1 C 26.825 0.15 2 1801 182 182 LEU CD2 C 22.177 0.15 2 1802 182 182 LEU N N 115.869 0.15 1 1803 183 183 GLY H H 7.492 0.05 1 1804 183 183 GLY HA2 H 4.086 0.05 2 1805 183 183 GLY HA3 H 4.425 0.05 2 1806 183 183 GLY C C 171.830 0.15 1 1807 183 183 GLY CA C 46.035 0.15 1 1808 183 183 GLY N N 107.761 0.15 1 1809 184 184 VAL H H 8.099 0.05 1 1810 184 184 VAL HA H 4.772 0.05 1 1811 184 184 VAL HB H 2.187 0.05 1 1812 184 184 VAL HG1 H 1.008 0.05 2 1813 184 184 VAL HG2 H 1.063 0.05 2 1814 184 184 VAL CA C 59.305 0.15 1 1815 184 184 VAL CB C 33.648 0.15 1 1816 184 184 VAL CG1 C 20.234 0.15 2 1817 184 184 VAL CG2 C 21.198 0.15 2 1818 184 184 VAL N N 119.803 0.15 1 1819 185 185 PRO HA H 4.442 0.05 1 1820 185 185 PRO HB2 H 2.451 0.05 2 1821 185 185 PRO HG2 H 1.902 0.05 2 1822 185 185 PRO HD2 H 3.801 0.05 2 1823 185 185 PRO HD3 H 4.047 0.05 2 1824 185 185 PRO C C 175.871 0.15 1 1825 185 185 PRO CA C 63.886 0.15 1 1826 185 185 PRO CB C 32.260 0.15 1 1827 185 185 PRO CG C 27.771 0.15 1 1828 185 185 PRO CD C 51.503 0.15 1 1829 186 186 ALA H H 8.222 0.05 1 1830 186 186 ALA HA H 4.569 0.05 1 1831 186 186 ALA HB H 1.362 0.05 1 1832 186 186 ALA C C 177.481 0.15 1 1833 186 186 ALA CA C 51.823 0.15 1 1834 186 186 ALA CB C 20.233 0.15 1 1835 186 186 ALA N N 125.663 0.15 1 1836 187 187 GLN H H 8.723 0.05 1 1837 187 187 GLN HA H 4.420 0.05 1 1838 187 187 GLN HB2 H 2.019 0.05 2 1839 187 187 GLN HB3 H 2.256 0.05 2 1840 187 187 GLN HG2 H 2.434 0.05 2 1841 187 187 GLN HE21 H 7.627 0.05 2 1842 187 187 GLN HE22 H 6.927 0.05 2 1843 187 187 GLN C C 175.566 0.15 1 1844 187 187 GLN CA C 56.051 0.15 1 1845 187 187 GLN CB C 29.812 0.15 1 1846 187 187 GLN CG C 34.030 0.15 1 1847 187 187 GLN N N 120.742 0.15 1 1848 187 187 GLN NE2 N 112.626 0.15 1 1849 188 188 GLU H H 8.163 0.05 1 1850 188 188 GLU HA H 4.405 0.05 1 1851 188 188 GLU HB2 H 1.992 0.05 2 1852 188 188 GLU HB3 H 2.145 0.05 2 1853 188 188 GLU HG2 H 2.288 0.05 2 1854 188 188 GLU C C 176.058 0.15 1 1855 188 188 GLU CA C 56.158 0.15 1 1856 188 188 GLU CB C 31.095 0.15 1 1857 188 188 GLU CG C 36.047 0.15 1 1858 188 188 GLU N N 119.177 0.15 1 1859 189 189 GLU H H 8.567 0.05 1 1860 189 189 GLU HA H 4.252 0.05 1 1861 189 189 GLU HB2 H 1.965 0.05 2 1862 189 189 GLU HB3 H 2.014 0.05 2 1863 189 189 GLU HG2 H 2.299 0.05 2 1864 189 189 GLU C C 175.703 0.15 1 1865 189 189 GLU CA C 56.417 0.15 1 1866 189 189 GLU CB C 29.968 0.15 1 1867 189 189 GLU CG C 36.272 0.15 1 1868 189 189 GLU N N 120.920 0.15 1 1869 190 190 ALA H H 8.271 0.05 1 1870 190 190 ALA HA H 4.626 0.05 1 1871 190 190 ALA HB H 1.384 0.05 1 1872 190 190 ALA CA C 50.465 0.15 1 1873 190 190 ALA CB C 18.451 0.15 1 1874 190 190 ALA N N 128.323 0.15 1 1875 191 191 PRO HA H 4.493 0.05 1 1876 191 191 PRO HB2 H 2.288 0.05 2 1877 191 191 PRO HB3 H 1.833 0.05 2 1878 191 191 PRO HG2 H 1.975 0.05 2 1879 191 191 PRO HD2 H 3.669 0.05 2 1880 191 191 PRO HD3 H 3.831 0.05 2 1881 191 191 PRO C C 175.899 0.15 1 1882 191 191 PRO CA C 62.044 0.15 1 1883 191 191 PRO CB C 32.184 0.15 1 1884 191 191 PRO CG C 27.386 0.15 1 1885 191 191 PRO CD C 50.594 0.15 1 1886 192 192 ALA H H 8.610 0.05 1 1887 192 192 ALA HA H 4.280 0.05 1 1888 192 192 ALA HB H 1.376 0.05 1 1889 192 192 ALA C C 178.282 0.15 1 1890 192 192 ALA CA C 51.698 0.15 1 1891 192 192 ALA CB C 19.220 0.15 1 1892 192 192 ALA N N 123.420 0.15 1 1893 193 193 LYS H H 8.531 0.05 1 1894 193 193 LYS HA H 3.294 0.05 1 1895 193 193 LYS HB2 H 1.317 0.05 2 1896 193 193 LYS HB3 H 1.541 0.05 2 1897 193 193 LYS HG2 H 0.813 0.05 2 1898 193 193 LYS HG3 H 0.841 0.05 2 1899 193 193 LYS HD3 H 1.580 0.05 2 1900 193 193 LYS HE2 H 2.644 0.05 2 1901 193 193 LYS HE3 H 2.902 0.05 2 1902 193 193 LYS C C 177.640 0.15 1 1903 193 193 LYS CA C 60.644 0.15 1 1904 193 193 LYS CB C 32.607 0.15 1 1905 193 193 LYS CG C 23.986 0.15 1 1906 193 193 LYS CD C 30.397 0.15 1 1907 193 193 LYS CE C 40.732 0.15 1 1908 193 193 LYS N N 122.851 0.15 1 1909 194 194 LEU H H 8.570 0.05 1 1910 194 194 LEU HA H 3.845 0.05 1 1911 194 194 LEU HB2 H 1.347 0.05 2 1912 194 194 LEU HB3 H 1.109 0.05 2 1913 194 194 LEU HG H 1.339 0.05 1 1914 194 194 LEU HD1 H 0.382 0.05 2 1915 194 194 LEU HD2 H 0.475 0.05 2 1916 194 194 LEU C C 177.965 0.15 1 1917 194 194 LEU CA C 57.611 0.15 1 1918 194 194 LEU CB C 41.776 0.15 1 1919 194 194 LEU CG C 26.758 0.15 1 1920 194 194 LEU CD1 C 25.536 0.15 2 1921 194 194 LEU CD2 C 22.722 0.15 2 1922 194 194 LEU N N 115.801 0.15 1 1923 195 195 MET H H 6.782 0.05 1 1924 195 195 MET HA H 4.487 0.05 1 1925 195 195 MET HB2 H 2.373 0.05 2 1926 195 195 MET HB3 H 2.147 0.05 2 1927 195 195 MET HG2 H 2.989 0.05 2 1928 195 195 MET HG3 H 2.451 0.05 2 1929 195 195 MET HE H 2.129 0.05 1 1930 195 195 MET C C 178.280 0.15 1 1931 195 195 MET CA C 56.858 0.15 1 1932 195 195 MET CB C 31.557 0.15 1 1933 195 195 MET CG C 33.087 0.15 1 1934 195 195 MET CE C 17.910 0.15 1 1935 195 195 MET N N 113.898 0.15 1 1936 196 196 VAL H H 7.713 0.05 1 1937 196 196 VAL HA H 3.501 0.05 1 1938 196 196 VAL HB H 1.974 0.05 1 1939 196 196 VAL HG1 H 0.962 0.05 2 1940 196 196 VAL HG2 H 0.801 0.05 2 1941 196 196 VAL C C 177.624 0.15 1 1942 196 196 VAL CA C 66.318 0.15 1 1943 196 196 VAL CB C 31.380 0.15 1 1944 196 196 VAL CG1 C 21.836 0.15 2 1945 196 196 VAL CG2 C 22.655 0.15 2 1946 196 196 VAL N N 120.413 0.15 1 1947 197 197 TYR H H 7.972 0.05 1 1948 197 197 TYR HA H 3.145 0.05 1 1949 197 197 TYR HB2 H 1.994 0.05 2 1950 197 197 TYR HB3 H 3.057 0.05 2 1951 197 197 TYR HD2 H 6.287 0.05 1 1952 197 197 TYR HE2 H 6.777 0.05 1 1953 197 197 TYR C C 177.726 0.15 1 1954 197 197 TYR CA C 62.253 0.15 1 1955 197 197 TYR CB C 37.314 0.15 1 1956 197 197 TYR CD2 C 133.045 0.15 1 1957 197 197 TYR CE2 C 118.755 0.15 1 1958 197 197 TYR N N 119.543 0.15 1 1959 198 198 LEU H H 8.630 0.05 1 1960 198 198 LEU HA H 3.923 0.05 1 1961 198 198 LEU HB2 H 2.251 0.05 2 1962 198 198 LEU HG H 2.279 0.05 1 1963 198 198 LEU HD1 H 1.033 0.05 2 1964 198 198 LEU HD2 H 1.030 0.05 2 1965 198 198 LEU C C 178.074 0.15 1 1966 198 198 LEU CA C 58.294 0.15 1 1967 198 198 LEU CB C 42.177 0.15 1 1968 198 198 LEU CG C 26.811 0.15 1 1969 198 198 LEU CD1 C 23.626 0.15 2 1970 198 198 LEU CD2 C 26.743 0.15 2 1971 198 198 LEU N N 118.430 0.15 1 1972 199 199 GLN H H 8.082 0.05 1 1973 199 199 GLN HA H 3.054 0.05 1 1974 199 199 GLN HB2 H 0.952 0.05 2 1975 199 199 GLN HG2 H 1.698 0.05 2 1976 199 199 GLN HE21 H 6.670 0.05 2 1977 199 199 GLN HE22 H 6.924 0.05 2 1978 199 199 GLN C C 176.875 0.15 1 1979 199 199 GLN CA C 59.739 0.15 1 1980 199 199 GLN CB C 28.055 0.15 1 1981 199 199 GLN CG C 33.499 0.15 1 1982 199 199 GLN N N 117.926 0.15 1 1983 199 199 GLN NE2 N 109.950 0.15 1 1984 200 200 ARG H H 7.349 0.05 1 1985 200 200 ARG HA H 3.798 0.05 1 1986 200 200 ARG HB2 H 0.891 0.05 2 1987 200 200 ARG HB3 H 1.169 0.05 2 1988 200 200 ARG HG2 H 1.419 0.05 2 1989 200 200 ARG HG3 H 1.006 0.05 2 1990 200 200 ARG HD2 H 2.829 0.05 2 1991 200 200 ARG HD3 H 2.959 0.05 2 1992 200 200 ARG HE H 7.861 0.05 1 1993 200 200 ARG C C 178.037 0.15 1 1994 200 200 ARG CA C 58.260 0.15 1 1995 200 200 ARG CB C 30.706 0.15 1 1996 200 200 ARG CG C 26.866 0.15 1 1997 200 200 ARG CD C 43.735 0.15 1 1998 200 200 ARG N N 113.772 0.15 1 1999 200 200 ARG NE N 84.651 0.15 1 2000 201 201 PHE H H 8.329 0.05 1 2001 201 201 PHE HA H 4.630 0.05 1 2002 201 201 PHE HB2 H 3.121 0.05 2 2003 201 201 PHE HB3 H 2.094 0.05 2 2004 201 201 PHE HD2 H 6.639 0.05 1 2005 201 201 PHE HE2 H 7.082 0.05 1 2006 201 201 PHE C C 176.606 0.15 1 2007 201 201 PHE CA C 59.014 0.15 1 2008 201 201 PHE CB C 40.357 0.15 1 2009 201 201 PHE CD2 C 132.409 0.15 1 2010 201 201 PHE CE2 C 130.580 0.15 1 2011 201 201 PHE N N 114.182 0.15 1 2012 202 202 ARG H H 8.719 0.05 1 2013 202 202 ARG HA H 5.071 0.05 1 2014 202 202 ARG HB2 H 2.554 0.05 2 2015 202 202 ARG HB3 H 2.075 0.05 2 2016 202 202 ARG HG2 H 1.922 0.05 2 2017 202 202 ARG HG3 H 1.781 0.05 2 2018 202 202 ARG HD2 H 3.874 0.05 2 2019 202 202 ARG HD3 H 3.298 0.05 2 2020 202 202 ARG HE H 8.216 0.05 1 2021 202 202 ARG HH11 H 7.057 0.05 2 2022 202 202 ARG HH21 H 6.779 0.05 2 2023 202 202 ARG CA C 53.956 0.15 1 2024 202 202 ARG CB C 31.979 0.15 1 2025 202 202 ARG CD C 43.644 0.15 1 2026 202 202 ARG N N 120.115 0.15 1 2027 202 202 ARG NE N 84.824 0.15 1 2028 203 203 PRO HA H 4.348 0.05 1 2029 203 203 PRO HB2 H 2.514 0.05 2 2030 203 203 PRO HG2 H 2.094 0.05 2 2031 203 203 PRO HD2 H 3.656 0.05 2 2032 203 203 PRO HD3 H 3.106 0.05 2 2033 203 203 PRO C C 179.736 0.15 1 2034 203 203 PRO CA C 65.674 0.15 1 2035 203 203 PRO CB C 31.717 0.15 1 2036 203 203 PRO CD C 50.630 0.15 1 2037 204 204 LEU H H 8.875 0.05 1 2038 204 204 LEU HA H 4.291 0.05 1 2039 204 204 LEU HB2 H 1.914 0.05 2 2040 204 204 LEU HB3 H 1.593 0.05 2 2041 204 204 LEU HG H 1.779 0.05 1 2042 204 204 LEU HD1 H 0.957 0.05 2 2043 204 204 LEU HD2 H 1.004 0.05 2 2044 204 204 LEU C C 180.353 0.15 1 2045 204 204 LEU CA C 58.012 0.15 1 2046 204 204 LEU CB C 40.893 0.15 1 2047 204 204 LEU CG C 27.461 0.15 1 2048 204 204 LEU CD1 C 22.837 0.15 2 2049 204 204 LEU CD2 C 25.004 0.15 2 2050 204 204 LEU N N 118.940 0.15 1 2051 205 205 ASP H H 7.541 0.05 1 2052 205 205 ASP HA H 4.622 0.05 1 2053 205 205 ASP HB2 H 3.027 0.05 2 2054 205 205 ASP HB3 H 2.718 0.05 2 2055 205 205 ASP C C 177.602 0.15 1 2056 205 205 ASP CA C 57.437 0.15 1 2057 205 205 ASP CB C 41.143 0.15 1 2058 205 205 ASP N N 120.838 0.15 1 2059 206 206 TYR H H 8.237 0.05 1 2060 206 206 TYR HA H 4.018 0.05 1 2061 206 206 TYR HB2 H 3.143 0.05 2 2062 206 206 TYR HB3 H 2.754 0.05 2 2063 206 206 TYR HD2 H 7.171 0.05 1 2064 206 206 TYR HE2 H 6.819 0.05 1 2065 206 206 TYR C C 176.433 0.15 1 2066 206 206 TYR CA C 62.148 0.15 1 2067 206 206 TYR CB C 38.305 0.15 1 2068 206 206 TYR CD2 C 133.024 0.15 1 2069 206 206 TYR CE2 C 118.742 0.15 1 2070 206 206 TYR N N 119.475 0.15 1 2071 207 207 GLN H H 8.124 0.05 1 2072 207 207 GLN HA H 3.823 0.05 1 2073 207 207 GLN HB2 H 2.176 0.05 2 2074 207 207 GLN HB3 H 2.293 0.05 2 2075 207 207 GLN HG2 H 2.538 0.05 2 2076 207 207 GLN HE21 H 7.836 0.05 2 2077 207 207 GLN HE22 H 6.842 0.05 2 2078 207 207 GLN C C 178.019 0.15 1 2079 207 207 GLN CA C 58.841 0.15 1 2080 207 207 GLN CB C 28.208 0.15 1 2081 207 207 GLN CG C 33.490 0.15 1 2082 207 207 GLN N N 115.863 0.15 1 2083 207 207 GLN NE2 N 111.728 0.15 1 2084 208 208 ARG H H 7.522 0.05 1 2085 208 208 ARG HA H 4.127 0.05 1 2086 208 208 ARG HB2 H 2.012 0.05 2 2087 208 208 ARG HB3 H 2.129 0.05 2 2088 208 208 ARG HG2 H 1.762 0.05 2 2089 208 208 ARG HD2 H 3.307 0.05 2 2090 208 208 ARG HD3 H 3.289 0.05 2 2091 208 208 ARG HE H 7.317 0.05 1 2092 208 208 ARG C C 179.278 0.15 1 2093 208 208 ARG CA C 59.419 0.15 1 2094 208 208 ARG CB C 30.182 0.15 1 2095 208 208 ARG CD C 43.913 0.15 1 2096 208 208 ARG N N 118.471 0.15 1 2097 208 208 ARG NE N 84.510 0.15 1 2098 209 209 LEU H H 7.869 0.05 1 2099 209 209 LEU HA H 4.091 0.05 1 2100 209 209 LEU HB2 H 1.881 0.05 2 2101 209 209 LEU HB3 H 1.550 0.05 2 2102 209 209 LEU HG H 1.843 0.05 1 2103 209 209 LEU HD1 H 0.882 0.05 2 2104 209 209 LEU HD2 H 1.005 0.05 2 2105 209 209 LEU C C 179.715 0.15 1 2106 209 209 LEU CA C 57.891 0.15 1 2107 209 209 LEU CB C 41.338 0.15 1 2108 209 209 LEU CG C 27.193 0.15 1 2109 209 209 LEU CD2 C 26.370 0.15 2 2110 209 209 LEU N N 119.659 0.15 1 2111 210 210 LEU H H 8.034 0.05 1 2112 210 210 LEU HA H 3.977 0.05 1 2113 210 210 LEU HB2 H 1.483 0.05 2 2114 210 210 LEU HG H 1.336 0.05 1 2115 210 210 LEU HD1 H 0.697 0.05 2 2116 210 210 LEU HD2 H 0.696 0.05 2 2117 210 210 LEU C C 180.363 0.15 1 2118 210 210 LEU CA C 57.459 0.15 1 2119 210 210 LEU CB C 41.699 0.15 1 2120 210 210 LEU CG C 26.775 0.15 1 2121 210 210 LEU CD1 C 24.560 0.15 2 2122 210 210 LEU CD2 C 23.207 0.15 2 2123 210 210 LEU N N 120.967 0.15 1 2124 211 211 GLU H H 8.174 0.05 1 2125 211 211 GLU HA H 4.075 0.05 1 2126 211 211 GLU HB2 H 2.131 0.05 2 2127 211 211 GLU HG2 H 2.510 0.05 2 2128 211 211 GLU HG3 H 2.312 0.05 2 2129 211 211 GLU C C 178.499 0.15 1 2130 211 211 GLU CA C 58.575 0.15 1 2131 211 211 GLU CB C 29.583 0.15 1 2132 211 211 GLU CG C 36.540 0.15 1 2133 211 211 GLU N N 119.217 0.15 1 2134 212 212 ALA H H 7.723 0.05 1 2135 212 212 ALA HA H 4.291 0.05 1 2136 212 212 ALA HB H 1.583 0.05 1 2137 212 212 ALA C C 178.770 0.15 1 2138 212 212 ALA CA C 53.966 0.15 1 2139 212 212 ALA CB C 19.117 0.15 1 2140 212 212 ALA N N 121.798 0.15 1 2141 213 213 ALA H H 7.743 0.05 1 2142 213 213 ALA HA H 4.406 0.05 1 2143 213 213 ALA HB H 1.547 0.05 1 2144 213 213 ALA C C 178.413 0.15 1 2145 213 213 ALA CA C 53.129 0.15 1 2146 213 213 ALA CB C 18.926 0.15 1 2147 213 213 ALA N N 120.435 0.15 1 2148 214 214 SER H H 7.944 0.05 1 2149 214 214 SER HA H 4.559 0.05 1 2150 214 214 SER HB2 H 4.016 0.05 2 2151 214 214 SER HB3 H 3.990 0.05 2 2152 214 214 SER C C 174.958 0.15 1 2153 214 214 SER CA C 58.640 0.15 1 2154 214 214 SER CB C 63.928 0.15 1 2155 214 214 SER N N 113.729 0.15 1 2156 215 215 SER H H 8.255 0.05 1 2157 215 215 SER HA H 4.547 0.05 1 2158 215 215 SER HB2 H 3.995 0.05 2 2159 215 215 SER C C 175.289 0.15 1 2160 215 215 SER CA C 58.833 0.15 1 2161 215 215 SER CB C 63.847 0.15 1 2162 215 215 SER N N 117.674 0.15 1 2163 216 216 GLY H H 8.431 0.05 1 2164 216 216 GLY HA2 H 4.054 0.05 2 2165 216 216 GLY C C 174.189 0.15 1 2166 216 216 GLY CA C 45.412 0.15 1 2167 216 216 GLY N N 110.800 0.15 1 2168 217 217 GLU H H 8.267 0.05 1 2169 217 217 GLU HA H 4.345 0.05 1 2170 217 217 GLU HB2 H 2.099 0.05 2 2171 217 217 GLU HB3 H 1.984 0.05 2 2172 217 217 GLU HG2 H 2.303 0.05 2 2173 217 217 GLU C C 176.428 0.15 1 2174 217 217 GLU CA C 56.470 0.15 1 2175 217 217 GLU CB C 30.526 0.15 1 2176 217 217 GLU N N 120.726 0.15 1 2177 218 218 ALA H H 8.476 0.05 1 2178 218 218 ALA HA H 4.467 0.05 1 2179 218 218 ALA HB H 1.463 0.05 1 2180 218 218 ALA C C 178.015 0.15 1 2181 218 218 ALA CA C 52.547 0.15 1 2182 218 218 ALA CB C 19.242 0.15 1 2183 218 218 ALA N N 125.534 0.15 1 2184 219 219 THR H H 8.232 0.05 1 2185 219 219 THR HA H 4.411 0.05 1 2186 219 219 THR HB H 4.329 0.05 1 2187 219 219 THR HG2 H 1.271 0.05 1 2188 219 219 THR C C 175.327 0.15 1 2189 219 219 THR CA C 61.889 0.15 1 2190 219 219 THR CB C 69.939 0.15 1 2191 219 219 THR N N 113.242 0.15 1 2192 220 220 GLY H H 8.418 0.05 1 2193 220 220 GLY C C 174.037 0.15 1 2194 220 220 GLY CA C 45.408 0.15 1 2195 220 220 GLY N N 111.031 0.15 1 2196 221 221 ASP H H 8.345 0.05 1 2197 221 221 ASP HA H 4.700 0.05 1 2198 221 221 ASP HB2 H 2.751 0.05 2 2199 221 221 ASP HB3 H 2.684 0.05 2 2200 221 221 ASP C C 176.535 0.15 1 2201 221 221 ASP CA C 54.402 0.15 1 2202 221 221 ASP CB C 41.431 0.15 1 2203 221 221 ASP N N 120.795 0.15 1 2204 222 222 SER H H 8.353 0.05 1 2205 222 222 SER HA H 4.493 0.05 1 2206 222 222 SER HB2 H 3.951 0.05 2 2207 222 222 SER C C 174.224 0.15 1 2208 222 222 SER CA C 58.427 0.15 1 2209 222 222 SER CB C 63.860 0.15 1 2210 222 222 SER N N 116.220 0.15 1 2211 223 223 ALA H H 8.381 0.05 1 2212 223 223 ALA HA H 4.461 0.05 1 2213 223 223 ALA HB H 1.466 0.05 1 2214 223 223 ALA C C 176.926 0.15 1 2215 223 223 ALA CA C 52.583 0.15 1 2216 223 223 ALA CB C 19.438 0.15 1 2217 223 223 ALA N N 126.592 0.15 1 2218 224 224 SER H H 7.946 0.05 1 2219 224 224 SER HA H 4.313 0.05 1 2220 224 224 SER HB2 H 3.898 0.05 2 2221 224 224 SER CA C 59.933 0.15 1 2222 224 224 SER CB C 64.906 0.15 1 2223 224 224 SER N N 120.911 0.15 1 stop_ save_ save_spectral_peak_list_1 _Saveframe_category spectral_peak_list _Experiment_label $13C-EDITED_1H,1H-NOESY_9 _Number_of_spectral_dimensions ? loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H H 2 H H 3 C C stop_ _Sample_label $sample _Sample_conditions_label $sample_conditions_1 _Text_data_format text _Text_data ; Assignment w1 w2 w3 Data Height ?-?-? 0.487 2.822 26.293 486568 ?-?-? 0.873 3.188 23.566 3092896 ?-?-? 1.543 3.994 41.339 1107406 ?-?-? 1.477 3.824 41.674 4616746 ?-?-? 1.476 3.978 41.667 9772242 ?-?-? 1.890 3.986 41.452 1065226 ?-?-? 4.089 8.034 57.752 1274419 ?-?-? 0.506 5.548 25.844 438895 ?-?-? 1.033 1.442 23.622 5573876 ?-?-? 1.029 1.257 23.622 4333968 ?-?-? 1.031 3.120 23.622 2734430 ?-?-? 1.032 3.570 23.622 3130983 ?-?-? 1.024 1.253 24.053 4390878 ?-?-? 0.762 2.515 23.254 1150131 ?-?-? 0.501 3.974 23.014 2776026 ?-?-? 0.903 4.098 24.549 17474982 ?-?-? 0.154 8.853 22.385 152193 ?-?-? 2.054 7.347 28.767 989104 ?-?-? 3.916 1.409 63.993 1502524 ?-?-? 2.117 6.919 27.973 354286 ?-?-? 3.971 1.250 63.092 655902 ?-?-? 4.258 3.084 61.278 279047 ?-?-? 1.514 2.173 18.342 5192842 ?-?-? 0.154 3.965 22.228 687763 ?-?-? 0.764 8.005 23.227 778552 ?-?-? 0.763 7.888 23.235 882383 ?-?-? 0.905 0.635 24.247 641548 ?-?-? 0.901 8.727 24.089 2642596 ?-?-? -0.123 -0.345 21.718 582531 ?-?-? 2.053 -0.371 28.791 467664 ?-?-? -0.125 4.715 21.713 1072194 ?-?-? 0.903 1.569 24.290 18952722 ?-?-? 2.289 4.265 28.327 2323509 ?-?-? 2.128 1.363 17.873 10326121 ?-?-? 0.799 2.289 22.561 3018595 ?-?-? 0.803 3.846 22.680 1493890 ?-?-? 0.799 3.654 22.589 1254135 ?-?-? 1.413 2.702 22.972 1008500 ?-?-? 1.413 2.242 22.871 2375583 ?-?-? 1.413 2.486 22.908 660376 ?-?-? 2.126 8.219 17.868 576625 ?-?-? 1.023 0.508 24.735 -167970 ?-?-? 2.523 3.304 43.256 -76412 ?-?-? 2.550 1.638 43.104 224783 ?-?-? 3.251 8.709 43.541 412042 ?-?-? 1.685 5.559 30.872 237222 ?-?-? 1.695 8.571 30.782 130246 ?-?-? 3.144 1.042 33.533 490882 ?-?-? 1.412 1.907 22.918 2248260 ?-?-? 1.032 4.646 23.622 1591404 ?-?-? 2.289 1.037 28.327 699609 ?-?-? 2.266 2.505 28.815 52349 ?-?-? 2.290 2.542 28.221 7821822 ?-?-? 2.309 2.599 28.729 5920279 ?-?-? 2.182 2.697 28.120 1008921 ?-?-? 2.283 3.136 28.297 511537 ?-?-? 1.033 4.464 23.622 1806721 ?-?-? 1.031 5.071 23.518 1721170 ?-?-? 3.919 1.913 58.240 1609377 ?-?-? 3.931 1.758 58.353 889200 ?-?-? 1.028 9.050 23.622 1883277 ?-?-? 1.031 4.336 23.622 1409772 ?-?-? 1.027 5.812 23.498 331043 ?-?-? 1.027 5.343 23.622 1025620 ?-?-? 1.031 8.137 23.622 1351876 ?-?-? 3.056 0.996 67.852 702035 ?-?-? 1.982 4.345 30.423 2290652 ?-?-? 2.104 4.339 30.605 7603526 ?-?-? 2.334 3.964 32.704 1283622 ?-?-? 2.102 3.725 33.092 1103214 ?-?-? 3.773 3.986 45.015 17413752 ?-?-? 3.854 4.329 44.968 8032616 ?-?-? 2.371 1.326 31.935 1239566 ?-?-? 2.123 3.304 30.195 2450041 ?-?-? 0.583 2.344 21.749 1224218 ?-?-? 4.267 0.888 59.733 975695 ?-?-? 1.384 1.966 18.172 6500555 ?-?-? 1.373 0.355 18.012 329003 ?-?-? 4.941 1.054 61.693 965946 ?-?-? 1.031 2.800 21.081 1455010 ?-?-? 2.028 1.404 30.009 2113481 ?-?-? 2.365 0.869 32.328 2072779 ?-?-? 1.020 1.631 24.236 4434208 ?-?-? 1.024 5.335 24.236 2091393 ?-?-? 1.304 9.299 46.875 172163 ?-?-? -0.065 7.340 40.586 178139 ?-?-? 1.903 3.881 34.134 666680 ?-?-? 1.879 0.683 37.862 422661 ?-?-? 2.602 -0.375 35.010 227023 ?-?-? 1.020 1.714 24.236 7230906 ?-?-? 4.444 1.072 63.796 475301 ?-?-? 4.225 7.071 59.286 590242 ?-?-? 1.067 7.656 21.482 1154526 ?-?-? 1.067 7.507 21.205 982578 ?-?-? 1.023 0.691 24.625 7274944 ?-?-? 1.025 7.869 24.043 1021503 ?-?-? 1.022 7.166 24.005 801596 ?-?-? 1.065 7.928 21.148 513265 ?-?-? 0.585 2.208 21.733 880375 ?-?-? 0.692 3.160 24.505 1246320 ?-?-? 0.693 2.946 24.486 607095 ?-?-? 0.692 2.699 24.495 1122080 ?-?-? 1.066 2.831 21.222 1499530 ?-?-? 0.856 2.715 25.793 448387 ?-?-? 2.348 1.536 34.059 1987707 ?-?-? 2.400 0.835 34.281 1057615 ?-?-? 0.693 4.323 24.525 1346804 ?-?-? 1.030 8.233 26.776 853098 ?-?-? 2.530 0.685 33.968 1527257 ?-?-? 0.628 5.480 17.700 480244 ?-?-? 5.975 1.263 53.001 144578 ?-?-? 0.725 8.727 23.310 1413204 ?-?-? 0.910 5.475 27.287 759276 ?-?-? 0.911 5.327 27.483 507695 ?-?-? 2.338 2.690 34.417 1232663 ?-?-? 2.130 4.358 17.926 1738270 ?-?-? 1.944 3.318 31.276 351394 ?-?-? 2.736 1.684 40.395 569940 ?-?-? 2.739 2.344 40.377 1228479 ?-?-? 2.739 2.088 40.406 1048552 ?-?-? 0.585 3.087 21.730 902368 ?-?-? 0.584 1.416 21.762 2457186 ?-?-? 2.123 2.761 17.926 1934718 ?-?-? 2.362 2.686 34.047 2250726 ?-?-? 2.338 2.915 34.320 953143 ?-?-? 2.365 2.920 34.052 908656 ?-?-? 2.379 8.456 34.038 3099479 ?-?-? 0.482 2.171 26.451 576258 ?-?-? 4.644 0.826 55.977 1505094 ?-?-? 4.647 1.845 55.926 1658383 ?-?-? 4.643 2.380 55.936 2377208 ?-?-? 0.912 3.014 21.221 4583361 ?-?-? 0.683 1.224 25.947 368264 ?-?-? 0.713 1.318 25.965 958192 ?-?-? 0.625 5.405 21.138 259503 ?-?-? 0.621 5.209 21.129 587789 ?-?-? 0.622 4.112 21.110 964885 ?-?-? 0.621 3.091 21.127 1420457 ?-?-? 0.622 2.518 21.142 825154 ?-?-? 0.738 2.170 25.477 3397791 ?-?-? 3.536 2.449 62.849 127948 ?-?-? 3.548 0.617 62.712 343010 ?-?-? 3.534 0.340 62.746 294607 ?-?-? 3.535 0.832 62.813 617217 ?-?-? 3.541 2.064 62.744 412438 ?-?-? 3.544 2.157 62.690 304707 ?-?-? 3.534 1.906 62.721 521746 ?-?-? 0.621 2.789 21.134 681109 ?-?-? 0.919 2.118 17.204 2481367 ?-?-? 0.917 1.115 17.206 8023968 ?-?-? 0.769 0.374 14.442 216506 ?-?-? 0.777 2.271 14.501 2288339 ?-?-? 1.758 3.941 27.858 1869775 ?-?-? 0.842 2.021 22.211 5834532 ?-?-? 1.705 1.118 39.475 624673 ?-?-? 0.921 2.241 17.206 1601004 ?-?-? 0.623 1.436 21.148 1652903 ?-?-? 0.921 8.524 17.206 981745 ?-?-? 0.924 5.428 17.238 238129 ?-?-? 0.919 4.674 17.090 872860 ?-?-? 0.918 2.582 17.222 355592 ?-?-? 0.919 2.443 17.142 1452258 ?-?-? 0.919 3.996 17.206 3285562 ?-?-? 0.920 4.367 17.108 1282918 ?-?-? 3.535 5.140 62.964 184139 ?-?-? 1.571 1.024 29.138 5238267 ?-?-? 2.161 0.859 31.256 347351 ?-?-? 2.145 1.362 31.261 966531 ?-?-? 2.143 4.264 31.030 886227 ?-?-? 1.989 4.408 31.038 6978627 ?-?-? 2.943 8.500 42.096 717980 ?-?-? 2.992 8.511 42.128 836754 ?-?-? 1.576 2.918 28.969 7225966 ?-?-? 2.276 1.837 32.136 14926980 ?-?-? 2.285 1.376 32.177 1751955 ?-?-? 1.837 7.739 32.096 437166 ?-?-? 1.956 0.952 31.662 3273728 ?-?-? 2.261 8.181 36.350 4291083 ?-?-? 1.516 2.000 18.435 4695200 ?-?-? 1.604 7.516 29.170 415457 ?-?-? 2.936 4.255 42.091 1571155 ?-?-? 2.138 2.450 31.195 2484508 ?-?-? 2.993 8.185 42.182 481744 ?-?-? 1.357 5.244 20.205 685447 ?-?-? 1.363 3.561 20.176 777770 ?-?-? 1.355 2.449 20.205 3781874 ?-?-? 1.362 2.176 20.181 3429464 ?-?-? 4.373 2.159 61.219 2194614 ?-?-? 1.989 1.358 31.273 1013581 ?-?-? 2.992 4.261 42.198 1178845 ?-?-? 2.992 3.889 42.158 970091 ?-?-? 2.939 3.750 42.098 398102 ?-?-? 2.994 3.740 42.165 446342 ?-?-? 2.990 2.390 42.196 451206 ?-?-? 2.994 3.265 42.174 275026 ?-?-? 2.996 3.517 42.176 486662 ?-?-? 2.936 3.511 42.115 475654 ?-?-? 1.084 2.213 23.985 932001 ?-?-? 1.581 0.727 19.257 1364120 ?-?-? 4.474 1.458 52.603 10395154 ?-?-? 0.913 3.176 26.813 773948 ?-?-? 3.175 1.889 33.977 1832020 ?-?-? 4.557 2.018 58.473 297611 ?-?-? 4.556 1.905 58.354 640255 ?-?-? 4.559 2.146 58.388 597057 ?-?-? 1.577 3.307 19.029 756076 ?-?-? 0.899 8.165 25.753 1135974 ?-?-? 3.310 0.939 44.079 7208919 ?-?-? 0.928 3.111 20.706 1539478 ?-?-? 4.127 2.506 59.307 1724834 ?-?-? 2.534 1.059 33.408 1637266 ?-?-? 1.578 1.917 19.257 4267376 ?-?-? 1.579 1.974 18.928 3051671 ?-?-? 4.568 1.667 58.850 421561 ?-?-? 0.907 3.539 25.324 1350477 ?-?-? 5.203 1.822 60.619 487284 ?-?-? 5.204 7.367 60.269 250625 ?-?-? 2.484 4.311 33.024 1137080 ?-?-? 2.384 7.700 31.861 531457 ?-?-? 4.272 2.352 50.963 -73577 ?-?-? 0.916 2.728 21.234 4411764 ?-?-? 0.912 1.890 25.324 8980901 ?-?-? 3.917 4.485 63.949 10452490 ?-?-? 3.915 1.628 63.949 1973770 ?-?-? 3.915 1.912 64.032 1332364 ?-?-? 3.917 2.124 64.037 1441212 ?-?-? 0.914 1.442 25.324 4245134 ?-?-? 1.843 1.060 44.465 1184899 ?-?-? 1.759 2.137 27.858 9465588 ?-?-? 3.916 2.329 64.050 1375164 ?-?-? 1.005 8.239 24.763 672105 ?-?-? 2.422 1.035 31.059 486867 ?-?-? 2.425 0.836 31.059 1014952 ?-?-? 2.373 0.839 31.059 1137986 ?-?-? 2.368 0.692 31.059 946297 ?-?-? 2.390 1.041 30.916 653436 ?-?-? 2.417 0.694 31.288 942460 ?-?-? 2.393 3.725 30.791 1369098 ?-?-? 2.391 1.513 30.791 1003880 ?-?-? 1.102 2.272 24.383 1691462 ?-?-? 1.103 2.004 24.360 2799996 ?-?-? 1.103 1.781 24.360 2623728 ?-?-? 2.325 9.089 32.960 1064739 ?-?-? 2.371 1.534 31.059 851758 ?-?-? 4.338 1.833 56.499 2786300 ?-?-? 4.333 1.495 56.196 1038953 ?-?-? 4.338 1.467 56.499 1038953 ?-?-? 2.392 4.257 30.724 4288666 ?-?-? 0.905 5.230 25.599 671107 ?-?-? 1.678 2.070 25.456