data_17838 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17838 _Entry.PDB_ID 2LHA save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 17838 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 3 3 LYS N N 272 123.800 123.800 123.881 -0.081 17838 2 1 1 . 1 1 3 3 LYS HA H 272 4.190 4.190 4.042 0.148 17838 3 1 1 . 1 1 3 3 LYS C C 272 176.410 176.410 175.301 1.109 17838 4 1 1 . 1 1 3 3 LYS CA C 272 56.160 56.160 57.115 -0.956 17838 5 1 1 . 1 1 3 3 LYS CB C 272 31.950 31.950 32.072 -0.122 17838 6 1 1 . 1 1 3 3 LYS H H 272 8.470 8.470 8.802 -0.332 17838 7 1 1 . 1 1 4 4 LEU N N 273 125.150 125.150 116.336 8.814 17838 8 1 1 . 1 1 4 4 LEU HA H 273 4.200 4.200 4.497 -0.297 17838 9 1 1 . 1 1 4 4 LEU C C 273 175.130 175.130 176.015 -0.885 17838 10 1 1 . 1 1 4 4 LEU CA C 273 55.940 55.940 55.364 0.577 17838 11 1 1 . 1 1 4 4 LEU CB C 273 43.330 43.330 43.367 -0.036 17838 12 1 1 . 1 1 4 4 LEU H H 273 8.610 8.610 8.285 0.325 17838 13 1 1 . 1 1 5 5 GLY N N 274 102.380 102.380 102.077 0.303 17838 14 1 1 . 1 1 5 5 GLY C C 274 171.630 171.630 172.376 -0.746 17838 15 1 1 . 1 1 5 5 GLY CA C 274 44.480 44.480 44.995 -0.515 17838 16 1 1 . 1 1 5 5 GLY H H 274 7.170 7.170 7.561 -0.391 17838 17 1 1 . 1 1 6 6 ASP N N 275 116.430 116.430 126.401 -9.971 17838 18 1 1 . 1 1 6 6 ASP HA H 275 5.760 5.760 5.619 0.141 17838 19 1 1 . 1 1 6 6 ASP C C 275 174.880 174.880 174.474 0.406 17838 20 1 1 . 1 1 6 6 ASP CA C 275 53.160 53.160 54.495 -1.335 17838 21 1 1 . 1 1 6 6 ASP CB C 275 45.720 45.720 43.610 2.110 17838 22 1 1 . 1 1 6 6 ASP H H 275 8.500 8.500 8.469 0.031 17838 23 1 1 . 1 1 7 7 ILE N N 276 118.640 118.640 124.313 -5.673 17838 24 1 1 . 1 1 7 7 ILE HA H 276 5.220 5.220 4.471 0.749 17838 25 1 1 . 1 1 7 7 ILE C C 276 173.900 173.900 174.085 -0.185 17838 26 1 1 . 1 1 7 7 ILE CA C 276 58.730 58.730 60.304 -1.574 17838 27 1 1 . 1 1 7 7 ILE CB C 276 43.680 43.680 43.083 0.598 17838 28 1 1 . 1 1 7 7 ILE H H 276 9.930 9.930 8.087 1.843 17838 29 1 1 . 1 1 8 8 CYS N N 277 128.550 128.550 127.155 1.395 17838 30 1 1 . 1 1 8 8 CYS HA H 277 4.560 4.560 5.053 -0.493 17838 31 1 1 . 1 1 8 8 CYS C C 277 173.900 173.900 173.676 0.224 17838 32 1 1 . 1 1 8 8 CYS CA C 277 56.340 56.340 56.834 -0.494 17838 33 1 1 . 1 1 8 8 CYS CB C 277 25.930 25.930 27.809 -1.879 17838 34 1 1 . 1 1 8 8 CYS H H 277 8.920 8.920 8.848 0.072 17838 35 1 1 . 1 1 9 9 PHE N N 278 121.320 121.320 125.317 -3.997 17838 36 1 1 . 1 1 9 9 PHE HA H 278 5.330 5.330 5.204 0.126 17838 37 1 1 . 1 1 9 9 PHE C C 278 173.180 173.180 174.442 -1.262 17838 38 1 1 . 1 1 9 9 PHE CA C 278 54.720 54.720 54.536 0.184 17838 39 1 1 . 1 1 9 9 PHE CB C 278 43.080 43.080 40.560 2.520 17838 40 1 1 . 1 1 9 9 PHE H H 278 7.650 7.650 7.887 -0.237 17838 41 1 1 . 1 1 10 10 SER N N 279 116.160 116.160 118.366 -2.206 17838 42 1 1 . 1 1 10 10 SER HA H 279 5.870 5.870 5.012 0.858 17838 43 1 1 . 1 1 10 10 SER C C 279 172.820 172.820 173.906 -1.086 17838 44 1 1 . 1 1 10 10 SER CA C 279 54.990 54.990 58.312 -3.322 17838 45 1 1 . 1 1 10 10 SER CB C 279 66.260 66.260 63.583 2.677 17838 46 1 1 . 1 1 10 10 SER H H 279 9.920 9.920 9.297 0.623 17838 47 1 1 . 1 1 11 11 LEU N N 280 121.460 121.460 126.853 -5.393 17838 48 1 1 . 1 1 11 11 LEU HA H 280 5.100 5.100 4.510 0.590 17838 49 1 1 . 1 1 11 11 LEU C C 280 174.900 174.900 175.468 -0.568 17838 50 1 1 . 1 1 11 11 LEU CA C 280 53.020 53.020 54.530 -1.510 17838 51 1 1 . 1 1 11 11 LEU CB C 280 46.790 46.790 40.673 6.117 17838 52 1 1 . 1 1 11 11 LEU H H 280 8.270 8.270 7.968 0.302 17838 53 1 1 . 1 1 12 12 ARG N N 281 120.480 120.480 120.206 0.274 17838 54 1 1 . 1 1 12 12 ARG HA H 281 4.740 4.740 4.759 -0.019 17838 55 1 1 . 1 1 12 12 ARG C C 281 173.410 173.410 173.309 0.101 17838 56 1 1 . 1 1 12 12 ARG CA C 281 54.810 54.810 54.726 0.084 17838 57 1 1 . 1 1 12 12 ARG CB C 281 34.560 34.560 33.311 1.249 17838 58 1 1 . 1 1 12 12 ARG H H 281 8.240 8.240 7.803 0.437 17838 59 1 1 . 1 1 13 13 TYR N N 282 127.490 127.490 120.113 7.377 17838 60 1 1 . 1 1 13 13 TYR HA H 282 5.490 5.490 4.752 0.738 17838 61 1 1 . 1 1 13 13 TYR C C 282 174.270 174.270 173.980 0.290 17838 62 1 1 . 1 1 13 13 TYR CA C 282 56.410 56.410 56.202 0.208 17838 63 1 1 . 1 1 13 13 TYR CB C 282 39.740 39.740 42.793 -3.053 17838 64 1 1 . 1 1 13 13 TYR H H 282 9.370 9.370 8.150 1.220 17838 65 1 1 . 1 1 14 14 VAL N N 283 127.660 127.660 123.627 4.033 17838 66 1 1 . 1 1 14 14 VAL HA H 283 4.240 4.240 4.362 -0.122 17838 67 1 1 . 1 1 14 14 VAL CA C 283 58.700 58.700 58.983 -0.283 17838 68 1 1 . 1 1 14 14 VAL CB C 283 32.450 32.450 32.507 -0.057 17838 69 1 1 . 1 1 14 14 VAL H H 283 7.480 7.480 7.671 -0.191 17838 70 1 1 . 1 1 15 15 PRO HA H 284 3.780 3.780 4.311 -0.531 17838 71 1 1 . 1 1 15 15 PRO C C 284 178.150 178.150 177.006 1.144 17838 72 1 1 . 1 1 15 15 PRO CA C 284 65.540 65.540 64.844 0.696 17838 73 1 1 . 1 1 15 15 PRO CB C 284 32.360 32.360 31.409 0.951 17838 74 1 1 . 1 1 16 16 THR N N 285 109.040 109.040 111.164 -2.124 17838 75 1 1 . 1 1 16 16 THR HA H 285 3.850 3.850 4.209 -0.359 17838 76 1 1 . 1 1 16 16 THR C C 285 174.880 174.880 174.871 0.009 17838 77 1 1 . 1 1 16 16 THR CA C 285 64.490 64.490 63.291 1.199 17838 78 1 1 . 1 1 16 16 THR CB C 285 68.150 68.150 68.413 -0.263 17838 79 1 1 . 1 1 16 16 THR H H 285 7.690 7.690 7.764 -0.074 17838 80 1 1 . 1 1 17 17 ALA N N 286 119.760 119.760 122.926 -3.166 17838 81 1 1 . 1 1 17 17 ALA HA H 286 4.380 4.380 4.506 -0.126 17838 82 1 1 . 1 1 17 17 ALA C C 286 177.040 177.040 177.770 -0.730 17838 83 1 1 . 1 1 17 17 ALA CA C 286 51.450 51.450 51.926 -0.476 17838 84 1 1 . 1 1 17 17 ALA CB C 286 20.320 20.320 20.672 -0.351 17838 85 1 1 . 1 1 17 17 ALA H H 286 6.520 6.520 7.298 -0.778 17838 86 1 1 . 1 1 18 18 GLY N N 287 109.040 109.040 108.998 0.042 17838 87 1 1 . 1 1 18 18 GLY C C 287 173.990 173.990 173.206 0.784 17838 88 1 1 . 1 1 18 18 GLY CA C 287 47.150 47.150 45.602 1.548 17838 89 1 1 . 1 1 18 18 GLY H H 287 7.690 7.690 8.362 -0.672 17838 90 1 1 . 1 1 19 19 LYS N N 288 117.030 117.030 115.952 1.078 17838 91 1 1 . 1 1 19 19 LYS HA H 288 4.890 4.890 4.825 0.065 17838 92 1 1 . 1 1 19 19 LYS C C 288 173.910 173.910 174.470 -0.560 17838 93 1 1 . 1 1 19 19 LYS CA C 288 55.100 55.100 54.284 0.816 17838 94 1 1 . 1 1 19 19 LYS CB C 288 35.520 35.520 35.980 -0.460 17838 95 1 1 . 1 1 19 19 LYS H H 288 6.630 6.630 7.099 -0.469 17838 96 1 1 . 1 1 20 20 LEU N N 289 131.970 131.970 121.261 10.709 17838 97 1 1 . 1 1 20 20 LEU HA H 289 5.480 5.480 4.519 0.961 17838 98 1 1 . 1 1 20 20 LEU C C 289 174.750 174.750 177.201 -2.451 17838 99 1 1 . 1 1 20 20 LEU CA C 289 53.620 53.620 55.856 -2.236 17838 100 1 1 . 1 1 20 20 LEU CB C 289 45.840 45.840 43.254 2.586 17838 101 1 1 . 1 1 20 20 LEU H H 289 9.260 9.260 9.046 0.214 17838 102 1 1 . 1 1 21 21 THR N N 290 124.180 124.180 118.379 5.801 17838 103 1 1 . 1 1 21 21 THR HA H 290 5.260 5.260 4.819 0.441 17838 104 1 1 . 1 1 21 21 THR C C 290 173.650 173.650 173.557 0.093 17838 105 1 1 . 1 1 21 21 THR CA C 290 62.070 62.070 62.290 -0.220 17838 106 1 1 . 1 1 21 21 THR CB C 290 70.920 70.920 69.147 1.772 17838 107 1 1 . 1 1 21 21 THR H H 290 9.770 9.770 8.218 1.552 17838 108 1 1 . 1 1 22 22 VAL N N 291 129.970 129.970 126.881 3.089 17838 109 1 1 . 1 1 22 22 VAL HA H 291 5.010 5.010 4.305 0.705 17838 110 1 1 . 1 1 22 22 VAL C C 291 174.510 174.510 175.547 -1.037 17838 111 1 1 . 1 1 22 22 VAL CA C 291 59.970 59.970 62.276 -2.305 17838 112 1 1 . 1 1 22 22 VAL CB C 291 34.900 34.900 32.214 2.686 17838 113 1 1 . 1 1 22 22 VAL H H 291 9.510 9.510 8.991 0.519 17838 114 1 1 . 1 1 23 23 VAL N N 292 125.670 125.670 128.039 -2.369 17838 115 1 1 . 1 1 23 23 VAL HA H 292 4.830 4.830 4.866 -0.036 17838 116 1 1 . 1 1 23 23 VAL C C 292 177.610 177.610 176.305 1.305 17838 117 1 1 . 1 1 23 23 VAL CA C 292 60.370 60.370 60.859 -0.489 17838 118 1 1 . 1 1 23 23 VAL CB C 292 32.230 32.230 31.741 0.489 17838 119 1 1 . 1 1 23 23 VAL H H 292 8.650 8.650 8.829 -0.179 17838 120 1 1 . 1 1 24 24 ILE N N 293 125.630 125.630 129.139 -3.509 17838 121 1 1 . 1 1 24 24 ILE HA H 293 4.010 4.010 4.260 -0.250 17838 122 1 1 . 1 1 24 24 ILE C C 293 175.140 175.140 175.938 -0.798 17838 123 1 1 . 1 1 24 24 ILE CA C 293 58.560 58.560 62.028 -3.468 17838 124 1 1 . 1 1 24 24 ILE CB C 293 34.580 34.580 37.434 -2.854 17838 125 1 1 . 1 1 24 24 ILE H H 293 9.100 9.100 9.162 -0.062 17838 126 1 1 . 1 1 25 25 LEU N N 294 130.570 130.570 129.394 1.176 17838 127 1 1 . 1 1 25 25 LEU HA H 294 4.110 4.110 4.417 -0.307 17838 128 1 1 . 1 1 25 25 LEU C C 294 175.250 175.250 176.588 -1.338 17838 129 1 1 . 1 1 25 25 LEU CA C 294 58.210 58.210 56.728 1.482 17838 130 1 1 . 1 1 25 25 LEU CB C 294 41.470 41.470 42.729 -1.259 17838 131 1 1 . 1 1 25 25 LEU H H 294 8.260 8.260 8.341 -0.081 17838 132 1 1 . 1 1 26 26 GLU N N 295 111.970 111.970 111.493 0.477 17838 133 1 1 . 1 1 26 26 GLU HA H 295 5.050 5.050 5.392 -0.342 17838 134 1 1 . 1 1 26 26 GLU C C 295 172.250 172.250 174.480 -2.230 17838 135 1 1 . 1 1 26 26 GLU CA C 295 54.970 54.970 54.846 0.124 17838 136 1 1 . 1 1 26 26 GLU CB C 295 32.990 32.990 33.477 -0.487 17838 137 1 1 . 1 1 26 26 GLU H H 295 7.490 7.490 7.720 -0.230 17838 138 1 1 . 1 1 27 27 ALA N N 296 121.530 121.530 121.209 0.321 17838 139 1 1 . 1 1 27 27 ALA HA H 296 5.550 5.550 4.792 0.758 17838 140 1 1 . 1 1 27 27 ALA C C 296 174.560 174.560 175.735 -1.175 17838 141 1 1 . 1 1 27 27 ALA CA C 296 50.780 50.780 50.521 0.259 17838 142 1 1 . 1 1 27 27 ALA CB C 296 22.690 22.690 22.785 -0.095 17838 143 1 1 . 1 1 27 27 ALA H H 296 9.170 9.170 8.416 0.754 17838 144 1 1 . 1 1 28 28 LYS N N 297 116.690 116.690 117.984 -1.294 17838 145 1 1 . 1 1 28 28 LYS HA H 297 5.380 5.380 4.780 0.600 17838 146 1 1 . 1 1 28 28 LYS C C 297 174.200 174.200 175.342 -1.142 17838 147 1 1 . 1 1 28 28 LYS CA C 297 54.970 54.970 56.083 -1.113 17838 148 1 1 . 1 1 28 28 LYS CB C 297 37.660 37.660 32.133 5.527 17838 149 1 1 . 1 1 28 28 LYS H H 297 9.190 9.190 8.508 0.682 17838 150 1 1 . 1 1 29 29 ASN N N 298 115.540 115.540 115.904 -0.364 17838 151 1 1 . 1 1 29 29 ASN HA H 298 4.150 4.150 4.829 -0.679 17838 152 1 1 . 1 1 29 29 ASN C C 298 173.850 173.850 175.448 -1.598 17838 153 1 1 . 1 1 29 29 ASN CA C 298 53.600 53.600 53.277 0.323 17838 154 1 1 . 1 1 29 29 ASN CB C 298 37.000 37.000 40.274 -3.274 17838 155 1 1 . 1 1 29 29 ASN H H 298 8.640 8.640 8.303 0.337 17838 156 1 1 . 1 1 30 30 LEU N N 299 114.360 114.360 124.156 -9.796 17838 157 1 1 . 1 1 30 30 LEU HA H 299 4.500 4.500 4.632 -0.132 17838 158 1 1 . 1 1 30 30 LEU C C 299 174.750 174.750 175.667 -0.917 17838 159 1 1 . 1 1 30 30 LEU CA C 299 55.010 55.010 53.938 1.071 17838 160 1 1 . 1 1 30 30 LEU CB C 299 42.820 42.820 39.864 2.955 17838 161 1 1 . 1 1 30 30 LEU H H 299 8.210 8.210 7.800 0.410 17838 162 1 1 . 1 1 31 31 LYS N N 300 119.660 119.660 123.937 -4.277 17838 163 1 1 . 1 1 31 31 LYS HA H 300 3.900 3.900 4.227 -0.327 17838 164 1 1 . 1 1 31 31 LYS C C 300 175.130 175.130 175.846 -0.716 17838 165 1 1 . 1 1 31 31 LYS CA C 300 56.630 56.630 55.874 0.756 17838 166 1 1 . 1 1 31 31 LYS CB C 300 35.060 35.060 32.980 2.080 17838 167 1 1 . 1 1 31 31 LYS H H 300 6.830 6.830 7.975 -1.145 17838 168 1 1 . 1 1 32 32 LYS N N 301 124.550 124.550 121.436 3.114 17838 169 1 1 . 1 1 32 32 LYS HA H 301 3.760 3.760 4.203 -0.443 17838 170 1 1 . 1 1 32 32 LYS C C 301 175.590 175.590 176.791 -1.201 17838 171 1 1 . 1 1 32 32 LYS CA C 301 56.900 56.900 57.457 -0.557 17838 172 1 1 . 1 1 32 32 LYS CB C 301 32.990 32.990 30.773 2.217 17838 173 1 1 . 1 1 32 32 LYS H H 301 8.060 8.060 8.568 -0.508 17838 174 1 1 . 1 1 33 33 MET N N 302 122.790 122.790 119.335 3.455 17838 175 1 1 . 1 1 33 33 MET HA H 302 4.720 4.720 4.568 0.152 17838 176 1 1 . 1 1 33 33 MET C C 302 176.510 176.510 176.399 0.111 17838 177 1 1 . 1 1 33 33 MET CA C 302 53.860 53.860 56.176 -2.316 17838 178 1 1 . 1 1 33 33 MET CB C 302 32.590 32.590 33.410 -0.820 17838 179 1 1 . 1 1 33 33 MET H H 302 7.970 7.970 7.909 0.061 17838 180 1 1 . 1 1 34 34 ASP N N 303 124.630 124.630 122.715 1.915 17838 181 1 1 . 1 1 34 34 ASP HA H 303 5.030 5.030 4.667 0.363 17838 182 1 1 . 1 1 34 34 ASP CA C 303 52.810 52.810 54.021 -1.211 17838 183 1 1 . 1 1 34 34 ASP CB C 303 41.950 41.950 42.071 -0.121 17838 184 1 1 . 1 1 34 34 ASP H H 303 8.080 8.080 8.035 0.045 17838 185 1 1 . 1 1 35 35 VAL N N 304 125.910 125.910 126.570 -0.660 17838 186 1 1 . 1 1 35 35 VAL HA H 304 3.690 3.690 3.876 -0.186 17838 187 1 1 . 1 1 35 35 VAL C C 304 176.820 176.820 176.820 0.000 17838 188 1 1 . 1 1 35 35 VAL CA C 304 64.750 64.750 63.601 1.149 17838 189 1 1 . 1 1 35 35 VAL CB C 304 31.120 31.120 31.061 0.060 17838 190 1 1 . 1 1 35 35 VAL H H 304 8.760 8.760 8.564 0.196 17838 191 1 1 . 1 1 36 36 GLY N N 305 115.560 115.560 114.720 0.840 17838 192 1 1 . 1 1 36 36 GLY C C 305 174.160 174.160 173.998 0.162 17838 193 1 1 . 1 1 36 36 GLY CA C 305 45.740 45.740 45.313 0.427 17838 194 1 1 . 1 1 36 36 GLY H H 305 8.830 8.830 8.505 0.325 17838 195 1 1 . 1 1 37 37 GLY N N 306 109.040 109.040 107.084 1.956 17838 196 1 1 . 1 1 37 37 GLY C C 306 173.030 173.030 172.425 0.605 17838 197 1 1 . 1 1 37 37 GLY CA C 306 45.040 45.040 44.318 0.722 17838 198 1 1 . 1 1 37 37 GLY H H 306 7.690 7.690 7.801 -0.111 17838 199 1 1 . 1 1 38 38 LEU N N 307 124.610 124.610 120.187 4.423 17838 200 1 1 . 1 1 38 38 LEU HA H 307 4.580 4.580 4.651 -0.071 17838 201 1 1 . 1 1 38 38 LEU CA C 307 53.470 53.470 53.668 -0.198 17838 202 1 1 . 1 1 38 38 LEU CB C 307 42.060 42.060 46.244 -4.184 17838 203 1 1 . 1 1 38 38 LEU H H 307 8.410 8.410 8.289 0.121 17838 204 1 1 . 1 1 39 39 SER N N 308 115.270 115.270 114.828 0.442 17838 205 1 1 . 1 1 39 39 SER HA H 308 4.490 4.490 4.535 -0.045 17838 206 1 1 . 1 1 39 39 SER CA C 308 57.250 57.250 58.500 -1.250 17838 207 1 1 . 1 1 39 39 SER CB C 308 68.290 68.290 64.650 3.640 17838 208 1 1 . 1 1 39 39 SER H H 308 7.080 7.080 8.595 -1.515 17838 209 1 1 . 1 1 40 40 ASP N N 309 121.280 121.280 122.184 -0.904 17838 210 1 1 . 1 1 40 40 ASP HA H 309 5.880 5.880 5.379 0.501 17838 211 1 1 . 1 1 40 40 ASP CA C 309 52.000 52.000 51.803 0.197 17838 212 1 1 . 1 1 40 40 ASP CB C 309 42.350 42.350 42.170 0.180 17838 213 1 1 . 1 1 40 40 ASP H H 309 9.270 9.270 9.392 -0.122 17838 214 1 1 . 1 1 41 41 PRO HA H 310 5.680 5.680 4.474 1.206 17838 215 1 1 . 1 1 41 41 PRO C C 310 179.050 179.050 175.858 3.192 17838 216 1 1 . 1 1 41 41 PRO CA C 310 62.970 62.970 62.728 0.242 17838 217 1 1 . 1 1 41 41 PRO CB C 310 32.940 32.940 32.429 0.511 17838 218 1 1 . 1 1 42 42 TYR N N 311 122.860 122.860 124.803 -1.943 17838 219 1 1 . 1 1 42 42 TYR HA H 311 4.740 4.740 4.637 0.103 17838 220 1 1 . 1 1 42 42 TYR C C 311 170.780 170.780 172.601 -1.821 17838 221 1 1 . 1 1 42 42 TYR CA C 311 55.640 55.640 57.897 -2.257 17838 222 1 1 . 1 1 42 42 TYR CB C 311 41.950 41.950 41.665 0.285 17838 223 1 1 . 1 1 42 42 TYR H H 311 9.130 9.130 8.046 1.084 17838 224 1 1 . 1 1 43 43 VAL N N 312 120.460 120.460 122.407 -1.947 17838 225 1 1 . 1 1 43 43 VAL HA H 312 4.840 4.840 4.964 -0.124 17838 226 1 1 . 1 1 43 43 VAL C C 312 174.430 174.430 173.012 1.418 17838 227 1 1 . 1 1 43 43 VAL CA C 312 60.110 60.110 59.111 0.999 17838 228 1 1 . 1 1 43 43 VAL CB C 312 33.430 33.430 36.327 -2.897 17838 229 1 1 . 1 1 43 43 VAL H H 312 8.570 8.570 7.975 0.595 17838 230 1 1 . 1 1 44 44 LYS N N 313 125.500 125.500 117.858 7.642 17838 231 1 1 . 1 1 44 44 LYS HA H 313 4.840 4.840 5.040 -0.200 17838 232 1 1 . 1 1 44 44 LYS C C 313 174.300 174.300 174.109 0.191 17838 233 1 1 . 1 1 44 44 LYS CA C 313 54.680 54.680 54.249 0.430 17838 234 1 1 . 1 1 44 44 LYS CB C 313 36.140 36.140 36.504 -0.364 17838 235 1 1 . 1 1 44 44 LYS H H 313 9.050 9.050 8.603 0.447 17838 236 1 1 . 1 1 45 45 ILE N N 314 123.760 123.760 119.970 3.790 17838 237 1 1 . 1 1 45 45 ILE HA H 314 4.780 4.780 4.521 0.259 17838 238 1 1 . 1 1 45 45 ILE C C 314 174.700 174.700 173.771 0.929 17838 239 1 1 . 1 1 45 45 ILE CA C 314 60.050 60.050 59.623 0.427 17838 240 1 1 . 1 1 45 45 ILE CB C 314 41.800 41.800 41.840 -0.040 17838 241 1 1 . 1 1 45 45 ILE H H 314 8.770 8.770 8.319 0.451 17838 242 1 1 . 1 1 46 46 HIS N N 315 122.820 122.820 123.050 -0.230 17838 243 1 1 . 1 1 46 46 HIS HA H 315 5.340 5.340 5.077 0.263 17838 244 1 1 . 1 1 46 46 HIS C C 315 173.540 173.540 174.177 -0.637 17838 245 1 1 . 1 1 46 46 HIS CA C 315 54.590 54.590 54.332 0.258 17838 246 1 1 . 1 1 46 46 HIS CB C 315 34.280 34.280 33.103 1.177 17838 247 1 1 . 1 1 46 46 HIS H H 315 9.070 9.070 8.685 0.385 17838 248 1 1 . 1 1 47 47 LEU N N 316 124.780 124.780 119.863 4.917 17838 249 1 1 . 1 1 47 47 LEU HA H 316 4.760 4.760 5.247 -0.487 17838 250 1 1 . 1 1 47 47 LEU C C 316 174.720 174.720 175.443 -0.723 17838 251 1 1 . 1 1 47 47 LEU CA C 316 53.480 53.480 53.415 0.065 17838 252 1 1 . 1 1 47 47 LEU CB C 316 44.010 44.010 43.623 0.386 17838 253 1 1 . 1 1 47 47 LEU H H 316 8.350 8.350 8.289 0.061 17838 254 1 1 . 1 1 48 48 MET N N 317 125.550 125.550 121.337 4.213 17838 255 1 1 . 1 1 48 48 MET HA H 317 5.360 5.360 4.910 0.450 17838 256 1 1 . 1 1 48 48 MET C C 317 174.720 174.720 175.911 -1.191 17838 257 1 1 . 1 1 48 48 MET CA C 317 53.490 53.490 52.987 0.503 17838 258 1 1 . 1 1 48 48 MET CB C 317 35.800 35.800 30.688 5.112 17838 259 1 1 . 1 1 48 48 MET H H 317 9.240 9.240 9.137 0.103 17838 260 1 1 . 1 1 49 49 GLN N N 318 118.130 118.130 125.434 -7.304 17838 261 1 1 . 1 1 49 49 GLN HA H 318 4.350 4.350 4.377 -0.027 17838 262 1 1 . 1 1 49 49 GLN C C 318 175.850 175.850 176.196 -0.346 17838 263 1 1 . 1 1 49 49 GLN CA C 318 56.330 56.330 55.757 0.573 17838 264 1 1 . 1 1 49 49 GLN CB C 318 32.240 32.240 28.792 3.448 17838 265 1 1 . 1 1 49 49 GLN H H 318 8.510 8.510 8.381 0.129 17838 266 1 1 . 1 1 50 50 ASN N N 319 127.590 127.590 125.066 2.524 17838 267 1 1 . 1 1 50 50 ASN HA H 319 4.250 4.250 4.260 -0.010 17838 268 1 1 . 1 1 50 50 ASN C C 319 174.650 174.650 174.974 -0.324 17838 269 1 1 . 1 1 50 50 ASN CA C 319 54.180 54.180 53.708 0.472 17838 270 1 1 . 1 1 50 50 ASN CB C 319 37.640 37.640 37.945 -0.305 17838 271 1 1 . 1 1 50 50 ASN H H 319 9.430 9.430 9.208 0.222 17838 272 1 1 . 1 1 51 51 GLY N N 320 104.030 104.030 102.818 1.212 17838 273 1 1 . 1 1 51 51 GLY C C 320 173.160 173.160 173.463 -0.303 17838 274 1 1 . 1 1 51 51 GLY CA C 320 45.480 45.480 45.499 -0.019 17838 275 1 1 . 1 1 51 51 GLY H H 320 8.950 8.950 8.063 0.887 17838 276 1 1 . 1 1 52 52 LYS N N 321 120.220 120.220 120.682 -0.462 17838 277 1 1 . 1 1 52 52 LYS HA H 321 4.400 4.400 4.658 -0.258 17838 278 1 1 . 1 1 52 52 LYS C C 321 175.370 175.370 175.470 -0.100 17838 279 1 1 . 1 1 52 52 LYS CA C 321 54.340 54.340 54.083 0.257 17838 280 1 1 . 1 1 52 52 LYS CB C 321 34.230 34.230 35.130 -0.900 17838 281 1 1 . 1 1 52 52 LYS H H 321 7.650 7.650 7.594 0.056 17838 282 1 1 . 1 1 53 53 ARG N N 322 123.540 123.540 124.946 -1.406 17838 283 1 1 . 1 1 53 53 ARG HA H 322 4.410 4.410 4.262 0.148 17838 284 1 1 . 1 1 53 53 ARG C C 322 175.650 175.650 175.551 0.099 17838 285 1 1 . 1 1 53 53 ARG CA C 322 56.620 56.620 57.371 -0.751 17838 286 1 1 . 1 1 53 53 ARG CB C 322 29.960 29.960 29.469 0.491 17838 287 1 1 . 1 1 53 53 ARG H H 322 8.700 8.700 8.748 -0.048 17838 288 1 1 . 1 1 54 54 LEU N N 323 127.220 127.220 126.478 0.742 17838 289 1 1 . 1 1 54 54 LEU HA H 323 4.350 4.350 4.418 -0.068 17838 290 1 1 . 1 1 54 54 LEU C C 323 177.380 177.380 176.679 0.701 17838 291 1 1 . 1 1 54 54 LEU CA C 323 56.230 56.230 55.021 1.209 17838 292 1 1 . 1 1 54 54 LEU CB C 323 42.950 42.950 43.485 -0.535 17838 293 1 1 . 1 1 54 54 LEU H H 323 9.270 9.270 8.607 0.663 17838 294 1 1 . 1 1 55 55 LYS N N 324 115.210 115.210 119.057 -3.847 17838 295 1 1 . 1 1 55 55 LYS HA H 324 4.670 4.670 4.532 0.138 17838 296 1 1 . 1 1 55 55 LYS C C 324 174.480 174.480 174.919 -0.439 17838 297 1 1 . 1 1 55 55 LYS CA C 324 54.460 54.460 54.769 -0.309 17838 298 1 1 . 1 1 55 55 LYS CB C 324 37.580 37.580 33.470 4.110 17838 299 1 1 . 1 1 55 55 LYS H H 324 7.410 7.410 8.010 -0.600 17838 300 1 1 . 1 1 56 56 LYS N N 325 122.420 122.420 121.531 0.889 17838 301 1 1 . 1 1 56 56 LYS HA H 325 5.320 5.320 4.936 0.384 17838 302 1 1 . 1 1 56 56 LYS C C 325 174.700 174.700 176.260 -1.560 17838 303 1 1 . 1 1 56 56 LYS CA C 325 54.970 54.970 55.546 -0.576 17838 304 1 1 . 1 1 56 56 LYS CB C 325 35.730 35.730 34.336 1.394 17838 305 1 1 . 1 1 56 56 LYS H H 325 8.470 8.470 8.442 0.028 17838 306 1 1 . 1 1 57 57 LYS N N 326 122.740 122.740 122.959 -0.219 17838 307 1 1 . 1 1 57 57 LYS HA H 326 4.630 4.630 4.859 -0.229 17838 308 1 1 . 1 1 57 57 LYS C C 326 174.330 174.330 174.492 -0.162 17838 309 1 1 . 1 1 57 57 LYS CA C 326 53.560 53.560 55.417 -1.857 17838 310 1 1 . 1 1 57 57 LYS CB C 326 37.960 37.960 37.134 0.826 17838 311 1 1 . 1 1 57 57 LYS H H 326 8.850 8.850 8.686 0.164 17838 312 1 1 . 1 1 58 58 LYS N N 327 118.070 118.070 119.984 -1.914 17838 313 1 1 . 1 1 58 58 LYS HA H 327 5.380 5.380 4.673 0.707 17838 314 1 1 . 1 1 58 58 LYS C C 327 174.810 174.810 175.239 -0.429 17838 315 1 1 . 1 1 58 58 LYS CA C 327 55.120 55.120 55.275 -0.155 17838 316 1 1 . 1 1 58 58 LYS CB C 327 36.900 36.900 35.113 1.787 17838 317 1 1 . 1 1 58 58 LYS H H 327 8.310 8.310 8.289 0.021 17838 318 1 1 . 1 1 59 59 THR N N 328 110.590 110.590 114.909 -4.319 17838 319 1 1 . 1 1 59 59 THR HA H 328 4.850 4.850 4.680 0.170 17838 320 1 1 . 1 1 59 59 THR C C 328 175.550 175.550 173.748 1.802 17838 321 1 1 . 1 1 59 59 THR CA C 328 60.950 60.950 59.992 0.958 17838 322 1 1 . 1 1 59 59 THR CB C 328 73.290 73.290 70.956 2.334 17838 323 1 1 . 1 1 59 59 THR H H 328 8.650 8.650 8.166 0.484 17838 324 1 1 . 1 1 60 60 THR N N 329 109.520 109.520 118.213 -8.693 17838 325 1 1 . 1 1 60 60 THR HA H 329 4.120 4.120 4.656 -0.536 17838 326 1 1 . 1 1 60 60 THR C C 329 173.570 173.570 172.716 0.854 17838 327 1 1 . 1 1 60 60 THR CA C 329 62.710 62.710 61.272 1.438 17838 328 1 1 . 1 1 60 60 THR CB C 329 70.920 70.920 69.879 1.042 17838 329 1 1 . 1 1 60 60 THR H H 329 9.420 9.420 8.822 0.598 17838 330 1 1 . 1 1 61 61 ILE N N 330 119.070 119.070 122.734 -3.664 17838 331 1 1 . 1 1 61 61 ILE HA H 330 4.230 4.230 4.049 0.181 17838 332 1 1 . 1 1 61 61 ILE C C 330 177.050 177.050 175.025 2.025 17838 333 1 1 . 1 1 61 61 ILE CA C 330 61.060 61.060 59.730 1.330 17838 334 1 1 . 1 1 61 61 ILE CB C 330 40.200 40.200 40.963 -0.763 17838 335 1 1 . 1 1 61 61 ILE H H 330 8.060 8.060 8.385 -0.325 17838 336 1 1 . 1 1 62 62 LYS N N 331 127.440 127.440 125.876 1.564 17838 337 1 1 . 1 1 62 62 LYS HA H 331 4.620 4.620 4.512 0.108 17838 338 1 1 . 1 1 62 62 LYS C C 331 174.080 174.080 176.306 -2.226 17838 339 1 1 . 1 1 62 62 LYS CA C 331 52.170 52.170 55.204 -3.034 17838 340 1 1 . 1 1 62 62 LYS CB C 331 31.610 31.610 32.586 -0.976 17838 341 1 1 . 1 1 62 62 LYS H H 331 7.970 7.970 8.948 -0.978 17838 342 1 1 . 1 1 63 63 LYS N N 332 118.220 118.220 122.624 -4.404 17838 343 1 1 . 1 1 63 63 LYS HA H 332 4.630 4.630 4.234 0.396 17838 344 1 1 . 1 1 63 63 LYS C C 332 177.270 177.270 177.014 0.256 17838 345 1 1 . 1 1 63 63 LYS CA C 332 55.310 55.310 56.869 -1.559 17838 346 1 1 . 1 1 63 63 LYS CB C 332 33.550 33.550 32.880 0.670 17838 347 1 1 . 1 1 63 63 LYS H H 332 8.000 8.000 8.694 -0.694 17838 348 1 1 . 1 1 64 64 ASN N N 333 122.920 122.920 118.732 4.188 17838 349 1 1 . 1 1 64 64 ASN HA H 333 4.250 4.250 4.491 -0.241 17838 350 1 1 . 1 1 64 64 ASN C C 333 173.470 173.470 173.933 -0.463 17838 351 1 1 . 1 1 64 64 ASN CA C 333 54.030 54.030 54.276 -0.247 17838 352 1 1 . 1 1 64 64 ASN CB C 333 37.910 37.910 37.412 0.498 17838 353 1 1 . 1 1 64 64 ASN H H 333 9.710 9.710 8.826 0.884 17838 354 1 1 . 1 1 65 65 THR N N 334 112.090 112.090 109.154 2.936 17838 355 1 1 . 1 1 65 65 THR HA H 334 4.600 4.600 4.801 -0.201 17838 356 1 1 . 1 1 65 65 THR C C 334 170.000 170.000 173.070 -3.070 17838 357 1 1 . 1 1 65 65 THR CA C 334 60.580 60.580 60.305 0.275 17838 358 1 1 . 1 1 65 65 THR CB C 334 68.600 68.600 71.494 -2.894 17838 359 1 1 . 1 1 65 65 THR H H 334 8.630 8.630 8.065 0.565 17838 360 1 1 . 1 1 66 66 LEU N N 335 121.880 121.880 118.552 3.328 17838 361 1 1 . 1 1 66 66 LEU HA H 335 4.500 4.500 5.008 -0.508 17838 362 1 1 . 1 1 66 66 LEU C C 335 173.970 173.970 175.861 -1.891 17838 363 1 1 . 1 1 66 66 LEU CA C 335 52.790 52.790 54.882 -2.091 17838 364 1 1 . 1 1 66 66 LEU CB C 335 40.560 40.560 43.210 -2.650 17838 365 1 1 . 1 1 66 66 LEU H H 335 8.530 8.530 8.404 0.126 17838 366 1 1 . 1 1 67 67 ASN N N 336 115.420 115.420 117.581 -2.161 17838 367 1 1 . 1 1 67 67 ASN HA H 336 5.500 5.500 5.476 0.024 17838 368 1 1 . 1 1 67 67 ASN CA C 336 51.190 51.190 50.432 0.758 17838 369 1 1 . 1 1 67 67 ASN CB C 336 41.620 41.620 39.614 2.006 17838 370 1 1 . 1 1 67 67 ASN H H 336 8.540 8.540 8.001 0.539 17838 371 1 1 . 1 1 68 68 PRO HA H 337 4.170 4.170 4.423 -0.253 17838 372 1 1 . 1 1 68 68 PRO C C 337 173.480 173.480 175.456 -1.976 17838 373 1 1 . 1 1 68 68 PRO CA C 337 62.710 62.710 63.452 -0.742 17838 374 1 1 . 1 1 68 68 PRO CB C 337 32.610 32.610 30.770 1.840 17838 375 1 1 . 1 1 69 69 TYR N N 338 120.550 120.550 126.559 -6.009 17838 376 1 1 . 1 1 69 69 TYR HA H 338 4.470 4.470 4.888 -0.418 17838 377 1 1 . 1 1 69 69 TYR C C 338 174.390 174.390 173.566 0.824 17838 378 1 1 . 1 1 69 69 TYR CA C 338 57.740 57.740 56.685 1.055 17838 379 1 1 . 1 1 69 69 TYR CB C 338 40.530 40.530 42.011 -1.481 17838 380 1 1 . 1 1 69 69 TYR H H 338 8.060 8.060 8.090 -0.030 17838 381 1 1 . 1 1 70 70 TYR N N 339 122.140 122.140 126.963 -4.823 17838 382 1 1 . 1 1 70 70 TYR HA H 339 4.400 4.400 3.962 0.438 17838 383 1 1 . 1 1 70 70 TYR C C 339 175.190 175.190 173.806 1.384 17838 384 1 1 . 1 1 70 70 TYR CA C 339 59.040 59.040 58.720 0.320 17838 385 1 1 . 1 1 70 70 TYR CB C 339 40.290 40.290 41.687 -1.397 17838 386 1 1 . 1 1 70 70 TYR H H 339 8.080 8.080 7.759 0.321 17838 387 1 1 . 1 1 71 71 ASN N N 340 120.260 120.260 119.943 0.317 17838 388 1 1 . 1 1 71 71 ASN HA H 340 4.080 4.080 4.799 -0.719 17838 389 1 1 . 1 1 71 71 ASN C C 340 173.510 173.510 173.879 -0.369 17838 390 1 1 . 1 1 71 71 ASN CA C 340 53.960 53.960 54.181 -0.221 17838 391 1 1 . 1 1 71 71 ASN CB C 340 37.450 37.450 37.476 -0.026 17838 392 1 1 . 1 1 71 71 ASN H H 340 8.130 8.130 8.088 0.042 17838 393 1 1 . 1 1 72 72 GLU N N 341 117.370 117.370 123.582 -6.212 17838 394 1 1 . 1 1 72 72 GLU HA H 341 4.300 4.300 4.681 -0.381 17838 395 1 1 . 1 1 72 72 GLU C C 341 173.000 173.000 174.860 -1.860 17838 396 1 1 . 1 1 72 72 GLU CA C 341 55.470 55.470 55.032 0.438 17838 397 1 1 . 1 1 72 72 GLU CB C 341 33.320 33.320 34.807 -1.487 17838 398 1 1 . 1 1 72 72 GLU H H 341 7.530 7.530 8.189 -0.659 17838 399 1 1 . 1 1 73 73 SER N N 342 117.330 117.330 116.798 0.532 17838 400 1 1 . 1 1 73 73 SER HA H 342 4.740 4.740 5.312 -0.572 17838 401 1 1 . 1 1 73 73 SER C C 342 172.930 172.930 173.764 -0.834 17838 402 1 1 . 1 1 73 73 SER CA C 342 56.810 56.810 56.901 -0.091 17838 403 1 1 . 1 1 73 73 SER CB C 342 64.720 64.720 64.213 0.507 17838 404 1 1 . 1 1 73 73 SER H H 342 8.010 8.010 8.577 -0.567 17838 405 1 1 . 1 1 74 74 PHE N N 343 123.520 123.520 125.938 -2.418 17838 406 1 1 . 1 1 74 74 PHE HA H 343 4.480 4.480 4.661 -0.181 17838 407 1 1 . 1 1 74 74 PHE C C 343 173.480 173.480 174.890 -1.410 17838 408 1 1 . 1 1 74 74 PHE CA C 343 57.280 57.280 57.738 -0.458 17838 409 1 1 . 1 1 74 74 PHE CB C 343 43.130 43.130 40.256 2.874 17838 410 1 1 . 1 1 74 74 PHE H H 343 8.780 8.780 9.369 -0.589 17838 411 1 1 . 1 1 75 75 SER N N 344 116.700 116.700 120.845 -4.145 17838 412 1 1 . 1 1 75 75 SER HA H 344 5.480 5.480 5.364 0.116 17838 413 1 1 . 1 1 75 75 SER C C 344 172.170 172.170 173.146 -0.976 17838 414 1 1 . 1 1 75 75 SER CA C 344 57.210 57.210 57.694 -0.484 17838 415 1 1 . 1 1 75 75 SER CB C 344 66.140 66.140 64.862 1.278 17838 416 1 1 . 1 1 75 75 SER H H 344 8.430 8.430 8.959 -0.529 17838 417 1 1 . 1 1 76 76 PHE N N 345 119.990 119.990 123.477 -3.487 17838 418 1 1 . 1 1 76 76 PHE HA H 345 4.800 4.800 4.723 0.077 17838 419 1 1 . 1 1 76 76 PHE C C 345 173.440 173.440 173.491 -0.051 17838 420 1 1 . 1 1 76 76 PHE CA C 345 56.080 56.080 55.926 0.154 17838 421 1 1 . 1 1 76 76 PHE CB C 345 43.520 43.520 42.226 1.294 17838 422 1 1 . 1 1 76 76 PHE H H 345 9.440 9.440 8.320 1.120 17838 423 1 1 . 1 1 77 77 GLU N N 346 124.120 124.120 128.501 -4.381 17838 424 1 1 . 1 1 77 77 GLU HA H 346 4.890 4.890 4.326 0.564 17838 425 1 1 . 1 1 77 77 GLU C C 346 175.510 175.510 174.779 0.731 17838 426 1 1 . 1 1 77 77 GLU CA C 346 55.880 55.880 55.541 0.339 17838 427 1 1 . 1 1 77 77 GLU CB C 346 29.220 29.220 28.815 0.405 17838 428 1 1 . 1 1 77 77 GLU H H 346 9.000 9.000 8.597 0.403 17838 429 1 1 . 1 1 78 78 VAL N N 347 125.140 125.140 116.652 8.488 17838 430 1 1 . 1 1 78 78 VAL HA H 347 4.390 4.390 4.483 -0.093 17838 431 1 1 . 1 1 78 78 VAL CA C 347 59.350 59.350 58.355 0.995 17838 432 1 1 . 1 1 78 78 VAL CB C 347 35.710 35.710 33.382 2.328 17838 433 1 1 . 1 1 78 78 VAL H H 347 8.470 8.470 7.688 0.782 17838 434 1 1 . 1 1 79 79 PRO HA H 348 4.550 4.550 4.576 -0.026 17838 435 1 1 . 1 1 79 79 PRO C C 348 177.330 177.330 177.899 -0.569 17838 436 1 1 . 1 1 79 79 PRO CA C 348 62.850 62.850 63.197 -0.347 17838 437 1 1 . 1 1 79 79 PRO CB C 348 32.870 32.870 31.750 1.120 17838 438 1 1 . 1 1 80 80 PHE N N 349 125.590 125.590 118.991 6.599 17838 439 1 1 . 1 1 80 80 PHE HA H 349 4.610 4.610 3.861 0.749 17838 440 1 1 . 1 1 80 80 PHE C C 349 177.630 177.630 175.698 1.932 17838 441 1 1 . 1 1 80 80 PHE CA C 349 61.050 61.050 59.869 1.181 17838 442 1 1 . 1 1 80 80 PHE CB C 349 38.960 38.960 38.097 0.863 17838 443 1 1 . 1 1 80 80 PHE H H 349 9.250 9.250 8.379 0.871 17838 444 1 1 . 1 1 81 81 GLU N N 350 116.260 116.260 115.934 0.326 17838 445 1 1 . 1 1 81 81 GLU HA H 350 3.870 3.870 4.046 -0.176 17838 446 1 1 . 1 1 81 81 GLU C C 350 176.960 176.960 176.472 0.488 17838 447 1 1 . 1 1 81 81 GLU CA C 350 58.870 58.870 56.656 2.214 17838 448 1 1 . 1 1 81 81 GLU CB C 350 28.590 28.590 28.611 -0.021 17838 449 1 1 . 1 1 81 81 GLU H H 350 9.120 9.120 7.818 1.302 17838 450 1 1 . 1 1 82 82 GLN N N 351 116.390 116.390 117.921 -1.531 17838 451 1 1 . 1 1 82 82 GLN HA H 351 4.300 4.300 4.237 0.063 17838 452 1 1 . 1 1 82 82 GLN C C 351 177.670 177.670 177.935 -0.265 17838 453 1 1 . 1 1 82 82 GLN CA C 351 55.020 55.020 56.506 -1.486 17838 454 1 1 . 1 1 82 82 GLN CB C 351 30.360 30.360 29.899 0.461 17838 455 1 1 . 1 1 82 82 GLN H H 351 8.080 8.080 7.527 0.553 17838 456 1 1 . 1 1 83 83 ILE N N 352 120.350 120.350 121.348 -0.998 17838 457 1 1 . 1 1 83 83 ILE HA H 352 3.900 3.900 3.883 0.017 17838 458 1 1 . 1 1 83 83 ILE C C 352 174.820 174.820 175.725 -0.905 17838 459 1 1 . 1 1 83 83 ILE CA C 352 60.850 60.850 64.005 -3.155 17838 460 1 1 . 1 1 83 83 ILE CB C 352 38.610 38.610 38.081 0.529 17838 461 1 1 . 1 1 83 83 ILE H H 352 7.110 7.110 7.430 -0.320 17838 462 1 1 . 1 1 84 84 GLN N N 353 116.230 116.230 115.147 1.083 17838 463 1 1 . 1 1 84 84 GLN HA H 353 4.290 4.290 4.516 -0.226 17838 464 1 1 . 1 1 84 84 GLN C C 353 176.520 176.520 175.543 0.977 17838 465 1 1 . 1 1 84 84 GLN CA C 353 57.040 57.040 56.560 0.480 17838 466 1 1 . 1 1 84 84 GLN CB C 353 27.700 27.700 28.141 -0.441 17838 467 1 1 . 1 1 84 84 GLN H H 353 8.110 8.110 8.662 -0.552 17838 468 1 1 . 1 1 85 85 LYS N N 354 114.900 114.900 117.425 -2.525 17838 469 1 1 . 1 1 85 85 LYS HA H 354 4.010 4.010 4.267 -0.257 17838 470 1 1 . 1 1 85 85 LYS C C 354 175.920 175.920 175.611 0.309 17838 471 1 1 . 1 1 85 85 LYS CA C 354 55.090 55.090 55.448 -0.358 17838 472 1 1 . 1 1 85 85 LYS CB C 354 33.610 33.610 32.649 0.961 17838 473 1 1 . 1 1 85 85 LYS H H 354 7.750 7.750 7.796 -0.046 17838 474 1 1 . 1 1 86 86 VAL N N 355 112.960 112.960 114.871 -1.911 17838 475 1 1 . 1 1 86 86 VAL HA H 355 4.810 4.810 4.477 0.333 17838 476 1 1 . 1 1 86 86 VAL C C 355 174.780 174.780 174.214 0.566 17838 477 1 1 . 1 1 86 86 VAL CA C 355 60.450 60.450 60.153 0.297 17838 478 1 1 . 1 1 86 86 VAL CB C 355 34.320 34.320 34.276 0.044 17838 479 1 1 . 1 1 86 86 VAL H H 355 6.900 6.900 7.174 -0.274 17838 480 1 1 . 1 1 87 87 GLN N N 356 118.230 118.230 120.622 -2.392 17838 481 1 1 . 1 1 87 87 GLN HA H 356 4.370 4.370 4.856 -0.486 17838 482 1 1 . 1 1 87 87 GLN C C 356 174.390 174.390 173.950 0.440 17838 483 1 1 . 1 1 87 87 GLN CA C 356 54.410 54.410 55.345 -0.935 17838 484 1 1 . 1 1 87 87 GLN CB C 356 30.820 30.820 31.189 -0.369 17838 485 1 1 . 1 1 87 87 GLN H H 356 8.560 8.560 8.561 -0.001 17838 486 1 1 . 1 1 88 88 VAL N N 357 122.080 122.080 127.179 -5.099 17838 487 1 1 . 1 1 88 88 VAL HA H 357 4.580 4.580 4.711 -0.131 17838 488 1 1 . 1 1 88 88 VAL C C 357 173.860 173.860 173.650 0.210 17838 489 1 1 . 1 1 88 88 VAL CA C 357 61.190 61.190 60.589 0.601 17838 490 1 1 . 1 1 88 88 VAL CB C 357 31.950 31.950 33.817 -1.867 17838 491 1 1 . 1 1 88 88 VAL H H 357 8.300 8.300 9.087 -0.787 17838 492 1 1 . 1 1 89 89 VAL N N 358 127.800 127.800 128.205 -0.405 17838 493 1 1 . 1 1 89 89 VAL HA H 358 4.270 4.270 5.016 -0.747 17838 494 1 1 . 1 1 89 89 VAL C C 358 174.840 174.840 174.199 0.641 17838 495 1 1 . 1 1 89 89 VAL CA C 358 61.240 61.240 59.286 1.954 17838 496 1 1 . 1 1 89 89 VAL CB C 358 33.020 33.020 35.362 -2.342 17838 497 1 1 . 1 1 89 89 VAL H H 358 9.010 9.010 9.203 -0.193 17838 498 1 1 . 1 1 90 90 VAL N N 359 129.800 129.800 130.138 -0.338 17838 499 1 1 . 1 1 90 90 VAL HA H 359 4.490 4.490 4.185 0.305 17838 500 1 1 . 1 1 90 90 VAL C C 359 173.580 173.580 175.267 -1.687 17838 501 1 1 . 1 1 90 90 VAL CA C 359 61.480 61.480 61.639 -0.159 17838 502 1 1 . 1 1 90 90 VAL CB C 359 33.530 33.530 31.230 2.300 17838 503 1 1 . 1 1 90 90 VAL H H 359 9.120 9.120 8.870 0.250 17838 504 1 1 . 1 1 91 91 THR N N 360 122.290 122.290 124.404 -2.114 17838 505 1 1 . 1 1 91 91 THR HA H 360 4.770 4.770 4.575 0.195 17838 506 1 1 . 1 1 91 91 THR C C 360 173.010 173.010 173.555 -0.545 17838 507 1 1 . 1 1 91 91 THR CA C 360 61.360 61.360 61.669 -0.309 17838 508 1 1 . 1 1 91 91 THR CB C 360 70.860 70.860 69.027 1.833 17838 509 1 1 . 1 1 91 91 THR H H 360 8.750 8.750 8.992 -0.242 17838 510 1 1 . 1 1 92 92 VAL N N 361 125.180 125.180 128.034 -2.854 17838 511 1 1 . 1 1 92 92 VAL HA H 361 4.670 4.670 4.069 0.601 17838 512 1 1 . 1 1 92 92 VAL C C 361 174.220 174.220 173.855 0.365 17838 513 1 1 . 1 1 92 92 VAL CA C 361 61.000 61.000 62.224 -1.224 17838 514 1 1 . 1 1 92 92 VAL CB C 361 31.960 31.960 32.743 -0.783 17838 515 1 1 . 1 1 92 92 VAL H H 361 8.580 8.580 8.145 0.435 17838 516 1 1 . 1 1 93 93 LEU N N 362 127.950 127.950 126.114 1.836 17838 517 1 1 . 1 1 93 93 LEU HA H 362 4.750 4.750 4.725 0.025 17838 518 1 1 . 1 1 93 93 LEU C C 362 173.470 173.470 174.092 -0.622 17838 519 1 1 . 1 1 93 93 LEU CA C 362 55.470 55.470 53.380 2.091 17838 520 1 1 . 1 1 93 93 LEU CB C 362 44.440 44.440 47.463 -3.023 17838 521 1 1 . 1 1 93 93 LEU H H 362 8.860 8.860 8.979 -0.119 17838 522 1 1 . 1 1 94 94 ASP N N 363 116.580 116.580 117.926 -1.346 17838 523 1 1 . 1 1 94 94 ASP HA H 363 4.810 4.810 5.273 -0.463 17838 524 1 1 . 1 1 94 94 ASP C C 363 175.870 175.870 174.326 1.544 17838 525 1 1 . 1 1 94 94 ASP CA C 363 52.020 52.020 52.760 -0.740 17838 526 1 1 . 1 1 94 94 ASP CB C 363 44.160 44.160 44.282 -0.123 17838 527 1 1 . 1 1 94 94 ASP H H 363 8.380 8.380 8.020 0.360 17838 528 1 1 . 1 1 95 95 TYR N N 364 127.590 127.590 121.719 5.871 17838 529 1 1 . 1 1 95 95 TYR HA H 364 4.310 4.310 4.676 -0.366 17838 530 1 1 . 1 1 95 95 TYR C C 364 175.260 175.260 174.871 0.389 17838 531 1 1 . 1 1 95 95 TYR CA C 364 59.750 59.750 55.866 3.884 17838 532 1 1 . 1 1 95 95 TYR CB C 364 39.300 39.300 38.729 0.571 17838 533 1 1 . 1 1 95 95 TYR H H 364 9.380 9.380 8.472 0.908 17838 534 1 1 . 1 1 96 96 ASP N N 365 131.500 131.500 122.855 8.645 17838 535 1 1 . 1 1 96 96 ASP HA H 365 4.590 4.590 4.399 0.191 17838 536 1 1 . 1 1 96 96 ASP C C 365 172.480 172.480 175.716 -3.236 17838 537 1 1 . 1 1 96 96 ASP CA C 365 52.630 52.630 55.765 -3.135 17838 538 1 1 . 1 1 96 96 ASP CB C 365 41.910 41.910 41.383 0.527 17838 539 1 1 . 1 1 96 96 ASP H H 365 7.800 7.800 8.265 -0.465 17838 540 1 1 . 1 1 97 97 LYS N N 366 120.720 120.720 123.124 -2.404 17838 541 1 1 . 1 1 97 97 LYS HA H 366 3.840 3.840 4.032 -0.192 17838 542 1 1 . 1 1 97 97 LYS C C 366 176.440 176.440 176.032 0.408 17838 543 1 1 . 1 1 97 97 LYS CA C 366 58.400 58.400 57.353 1.047 17838 544 1 1 . 1 1 97 97 LYS CB C 366 33.030 33.030 30.875 2.155 17838 545 1 1 . 1 1 97 97 LYS H H 366 8.030 8.030 8.778 -0.748 17838 546 1 1 . 1 1 98 98 ILE N N 367 117.460 117.460 113.528 3.932 17838 547 1 1 . 1 1 98 98 ILE HA H 367 4.080 4.080 3.756 0.324 17838 548 1 1 . 1 1 98 98 ILE C C 367 176.200 176.200 175.729 0.471 17838 549 1 1 . 1 1 98 98 ILE CA C 367 60.910 60.910 62.370 -1.460 17838 550 1 1 . 1 1 98 98 ILE CB C 367 38.440 38.440 35.619 2.821 17838 551 1 1 . 1 1 98 98 ILE H H 367 7.790 7.790 8.686 -0.896 17838 552 1 1 . 1 1 99 99 GLY N N 368 113.730 113.730 109.381 4.349 17838 553 1 1 . 1 1 99 99 GLY C C 368 173.460 173.460 173.233 0.227 17838 554 1 1 . 1 1 99 99 GLY CA C 368 44.190 44.190 45.542 -1.352 17838 555 1 1 . 1 1 99 99 GLY H H 368 8.160 8.160 8.039 0.121 17838 556 1 1 . 1 1 100 100 LYS N N 369 119.980 119.980 121.413 -1.433 17838 557 1 1 . 1 1 100 100 LYS HA H 369 4.260 4.260 4.637 -0.377 17838 558 1 1 . 1 1 100 100 LYS C C 369 175.270 175.270 174.519 0.751 17838 559 1 1 . 1 1 100 100 LYS CA C 369 56.030 56.030 56.372 -0.342 17838 560 1 1 . 1 1 100 100 LYS CB C 369 33.090 33.090 34.809 -1.719 17838 561 1 1 . 1 1 100 100 LYS H H 369 8.020 8.020 8.026 -0.006 17838 562 1 1 . 1 1 101 101 ASN N N 370 124.530 124.530 123.469 1.061 17838 563 1 1 . 1 1 101 101 ASN HA H 370 5.040 5.040 4.989 0.051 17838 564 1 1 . 1 1 101 101 ASN CA C 370 52.230 52.230 52.005 0.225 17838 565 1 1 . 1 1 101 101 ASN CB C 370 38.490 38.490 41.804 -3.314 17838 566 1 1 . 1 1 101 101 ASN H H 370 8.730 8.730 8.501 0.229 17838 567 1 1 . 1 1 102 102 ASP N N 371 123.520 123.520 119.547 3.973 17838 568 1 1 . 1 1 102 102 ASP HA H 371 4.590 4.590 4.628 -0.038 17838 569 1 1 . 1 1 102 102 ASP CA C 371 53.980 53.980 53.473 0.507 17838 570 1 1 . 1 1 102 102 ASP CB C 371 42.940 42.940 43.224 -0.284 17838 571 1 1 . 1 1 102 102 ASP H H 371 8.550 8.550 8.324 0.226 17838 572 1 1 . 1 1 103 103 ALA N N 372 124.120 124.120 121.244 2.876 17838 573 1 1 . 1 1 103 103 ALA HA H 372 4.210 4.210 4.022 0.188 17838 574 1 1 . 1 1 103 103 ALA C C 372 177.140 177.140 176.896 0.244 17838 575 1 1 . 1 1 103 103 ALA CA C 372 52.910 52.910 53.076 -0.166 17838 576 1 1 . 1 1 103 103 ALA CB C 372 17.740 17.740 17.799 -0.059 17838 577 1 1 . 1 1 103 103 ALA H H 372 8.870 8.870 8.496 0.374 17838 578 1 1 . 1 1 104 104 ILE N N 373 123.110 123.110 115.894 7.216 17838 579 1 1 . 1 1 104 104 ILE HA H 373 3.850 3.850 4.406 -0.556 17838 580 1 1 . 1 1 104 104 ILE C C 373 176.450 176.450 176.888 -0.438 17838 581 1 1 . 1 1 104 104 ILE CA C 373 64.670 64.670 59.108 5.562 17838 582 1 1 . 1 1 104 104 ILE CB C 373 38.900 38.900 39.334 -0.434 17838 583 1 1 . 1 1 104 104 ILE H H 373 9.490 9.490 7.618 1.872 17838 584 1 1 . 1 1 105 105 GLY N N 374 99.210 99.210 108.688 -9.478 17838 585 1 1 . 1 1 105 105 GLY C C 374 170.160 170.160 172.649 -2.489 17838 586 1 1 . 1 1 105 105 GLY CA C 374 46.130 46.130 45.514 0.616 17838 587 1 1 . 1 1 105 105 GLY H H 374 7.310 7.310 8.202 -0.892 17838 588 1 1 . 1 1 106 106 LYS N N 375 119.580 119.580 120.444 -0.864 17838 589 1 1 . 1 1 106 106 LYS HA H 375 5.520 5.520 5.281 0.239 17838 590 1 1 . 1 1 106 106 LYS C C 375 173.600 173.600 174.375 -0.775 17838 591 1 1 . 1 1 106 106 LYS CA C 375 55.130 55.130 55.822 -0.692 17838 592 1 1 . 1 1 106 106 LYS CB C 375 39.040 39.040 37.416 1.624 17838 593 1 1 . 1 1 106 106 LYS H H 375 9.600 9.600 8.757 0.843 17838 594 1 1 . 1 1 107 107 VAL N N 376 116.620 116.620 119.914 -3.294 17838 595 1 1 . 1 1 107 107 VAL HA H 376 4.670 4.670 4.472 0.198 17838 596 1 1 . 1 1 107 107 VAL C C 376 172.040 172.040 172.985 -0.945 17838 597 1 1 . 1 1 107 107 VAL CA C 376 60.670 60.670 60.269 0.401 17838 598 1 1 . 1 1 107 107 VAL CB C 376 35.220 35.220 35.570 -0.350 17838 599 1 1 . 1 1 107 107 VAL H H 376 8.910 8.910 8.016 0.894 17838 600 1 1 . 1 1 108 108 PHE N N 377 120.920 120.920 122.712 -1.792 17838 601 1 1 . 1 1 108 108 PHE HA H 377 5.690 5.690 5.482 0.208 17838 602 1 1 . 1 1 108 108 PHE CA C 377 55.460 55.460 54.590 0.870 17838 603 1 1 . 1 1 108 108 PHE CB C 377 44.420 44.420 40.615 3.805 17838 604 1 1 . 1 1 108 108 PHE H H 377 8.560 8.560 8.042 0.518 17838 605 1 1 . 1 1 109 109 VAL N N 378 108.500 108.500 115.401 -6.901 17838 606 1 1 . 1 1 109 109 VAL HA H 378 4.150 4.150 4.513 -0.363 17838 607 1 1 . 1 1 109 109 VAL CA C 378 58.140 58.140 59.286 -1.146 17838 608 1 1 . 1 1 109 109 VAL CB C 378 33.750 33.750 34.767 -1.017 17838 609 1 1 . 1 1 109 109 VAL H H 378 8.320 8.320 8.774 -0.454 17838 610 1 1 . 1 1 110 110 GLY CA C 379 41.340 41.340 44.536 -3.196 17838 611 1 1 . 1 1 111 111 TYR HA H 380 4.010 4.010 4.279 -0.269 17838 612 1 1 . 1 1 111 111 TYR CA C 380 59.880 59.880 60.768 -0.888 17838 613 1 1 . 1 1 111 111 TYR CB C 380 37.860 37.860 38.949 -1.089 17838 614 1 1 . 1 1 112 112 ASN HA H 381 4.250 4.250 4.422 -0.172 17838 615 1 1 . 1 1 112 112 ASN CA C 381 54.170 54.170 52.414 1.756 17838 616 1 1 . 1 1 112 112 ASN CB C 381 37.810 37.810 36.066 1.744 17838 617 1 1 . 1 1 113 113 SER HA H 382 4.140 4.140 4.689 -0.549 17838 618 1 1 . 1 1 113 113 SER C C 382 172.760 172.760 174.608 -1.848 17838 619 1 1 . 1 1 113 113 SER CA C 382 58.610 58.610 56.967 1.643 17838 620 1 1 . 1 1 113 113 SER CB C 382 64.620 64.620 64.859 -0.239 17838 621 1 1 . 1 1 114 114 THR N N 383 106.230 106.230 116.971 -10.741 17838 622 1 1 . 1 1 114 114 THR HA H 383 4.730 4.730 4.499 0.231 17838 623 1 1 . 1 1 114 114 THR C C 383 176.030 176.030 175.927 0.103 17838 624 1 1 . 1 1 114 114 THR CA C 383 60.120 60.120 61.279 -1.159 17838 625 1 1 . 1 1 114 114 THR CB C 383 72.950 72.950 70.013 2.937 17838 626 1 1 . 1 1 114 114 THR H H 383 7.710 7.710 7.989 -0.279 17838 627 1 1 . 1 1 115 115 GLY N N 384 108.400 108.400 110.245 -1.845 17838 628 1 1 . 1 1 115 115 GLY C C 384 175.920 175.920 175.931 -0.011 17838 629 1 1 . 1 1 115 115 GLY CA C 384 47.150 47.150 47.392 -0.242 17838 630 1 1 . 1 1 115 115 GLY H H 384 8.840 8.840 8.647 0.193 17838 631 1 1 . 1 1 116 116 ALA N N 385 129.610 129.610 123.851 5.759 17838 632 1 1 . 1 1 116 116 ALA HA H 385 4.110 4.110 4.096 0.014 17838 633 1 1 . 1 1 116 116 ALA C C 385 179.670 179.670 179.016 0.654 17838 634 1 1 . 1 1 116 116 ALA CA C 385 54.310 54.310 54.895 -0.585 17838 635 1 1 . 1 1 116 116 ALA CB C 385 18.100 18.100 18.409 -0.309 17838 636 1 1 . 1 1 116 116 ALA H H 385 9.310 9.310 8.562 0.748 17838 637 1 1 . 1 1 117 117 GLU N N 386 121.720 121.720 117.594 4.126 17838 638 1 1 . 1 1 117 117 GLU HA H 386 4.110 4.110 4.284 -0.174 17838 639 1 1 . 1 1 117 117 GLU C C 386 175.960 175.960 178.912 -2.952 17838 640 1 1 . 1 1 117 117 GLU CA C 386 62.450 62.450 58.791 3.659 17838 641 1 1 . 1 1 117 117 GLU CB C 386 29.830 29.830 29.584 0.246 17838 642 1 1 . 1 1 117 117 GLU H H 386 8.140 8.140 7.594 0.546 17838 643 1 1 . 1 1 118 118 LEU N N 387 122.820 122.820 122.813 0.007 17838 644 1 1 . 1 1 118 118 LEU HA H 387 4.140 4.140 4.152 -0.012 17838 645 1 1 . 1 1 118 118 LEU C C 387 179.580 179.580 178.513 1.067 17838 646 1 1 . 1 1 118 118 LEU CA C 387 56.900 56.900 58.029 -1.129 17838 647 1 1 . 1 1 118 118 LEU CB C 387 40.270 40.270 41.986 -1.716 17838 648 1 1 . 1 1 118 118 LEU H H 387 6.570 6.570 8.752 -2.182 17838 649 1 1 . 1 1 119 119 ARG N N 388 119.950 119.950 117.078 2.872 17838 650 1 1 . 1 1 119 119 ARG HA H 388 4.090 4.090 4.108 -0.018 17838 651 1 1 . 1 1 119 119 ARG C C 388 177.240 177.240 177.510 -0.270 17838 652 1 1 . 1 1 119 119 ARG CA C 388 59.220 59.220 58.626 0.594 17838 653 1 1 . 1 1 119 119 ARG CB C 388 29.990 29.990 30.238 -0.248 17838 654 1 1 . 1 1 119 119 ARG H H 388 8.120 8.120 8.216 -0.096 17838 655 1 1 . 1 1 120 120 HIS N N 389 118.040 118.040 118.624 -0.584 17838 656 1 1 . 1 1 120 120 HIS HA H 389 4.560 4.560 4.932 -0.372 17838 657 1 1 . 1 1 120 120 HIS CA C 389 57.520 57.520 56.437 1.083 17838 658 1 1 . 1 1 120 120 HIS CB C 389 32.980 32.980 31.124 1.856 17838 659 1 1 . 1 1 120 120 HIS H H 389 7.510 7.510 7.959 -0.449 17838 660 1 1 . 1 1 121 121 TRP N N 390 118.700 118.700 122.554 -3.854 17838 661 1 1 . 1 1 121 121 TRP HA H 390 4.010 4.010 4.257 -0.247 17838 662 1 1 . 1 1 121 121 TRP C C 390 176.900 176.900 177.862 -0.962 17838 663 1 1 . 1 1 121 121 TRP CA C 390 60.240 60.240 61.921 -1.681 17838 664 1 1 . 1 1 121 121 TRP CB C 390 30.800 30.800 29.876 0.924 17838 665 1 1 . 1 1 121 121 TRP H H 390 7.650 7.650 8.878 -1.228 17838 666 1 1 . 1 1 122 122 SER N N 391 113.110 113.110 113.772 -0.662 17838 667 1 1 . 1 1 122 122 SER HA H 391 4.010 4.010 4.404 -0.394 17838 668 1 1 . 1 1 122 122 SER C C 391 177.460 177.460 173.590 3.870 17838 669 1 1 . 1 1 122 122 SER CA C 391 61.970 61.970 59.249 2.720 17838 670 1 1 . 1 1 122 122 SER CB C 391 62.490 62.490 62.690 -0.200 17838 671 1 1 . 1 1 122 122 SER H H 391 9.060 9.060 8.188 0.872 17838 672 1 1 . 1 1 123 123 ASP N N 392 123.980 123.980 121.132 2.848 17838 673 1 1 . 1 1 123 123 ASP HA H 392 4.380 4.380 4.772 -0.392 17838 674 1 1 . 1 1 123 123 ASP C C 392 178.830 178.830 176.429 2.401 17838 675 1 1 . 1 1 123 123 ASP CA C 392 57.570 57.570 55.520 2.050 17838 676 1 1 . 1 1 123 123 ASP CB C 392 40.040 40.040 42.030 -1.990 17838 677 1 1 . 1 1 123 123 ASP H H 392 8.870 8.870 8.292 0.578 17838 678 1 1 . 1 1 124 124 MET N N 393 121.910 121.910 118.438 3.472 17838 679 1 1 . 1 1 124 124 MET HA H 393 3.970 3.970 4.627 -0.657 17838 680 1 1 . 1 1 124 124 MET C C 393 179.000 179.000 176.683 2.317 17838 681 1 1 . 1 1 124 124 MET CA C 393 59.350 59.350 55.907 3.443 17838 682 1 1 . 1 1 124 124 MET CB C 393 32.590 32.590 34.706 -2.115 17838 683 1 1 . 1 1 124 124 MET H H 393 7.960 7.960 8.186 -0.226 17838 684 1 1 . 1 1 125 125 LEU N N 394 118.500 118.500 114.255 4.245 17838 685 1 1 . 1 1 125 125 LEU HA H 394 3.890 3.890 4.909 -1.019 17838 686 1 1 . 1 1 125 125 LEU C C 394 178.170 178.170 177.221 0.949 17838 687 1 1 . 1 1 125 125 LEU CA C 394 56.880 56.880 53.753 3.127 17838 688 1 1 . 1 1 125 125 LEU CB C 394 41.730 41.730 40.817 0.913 17838 689 1 1 . 1 1 125 125 LEU H H 394 7.610 7.610 7.276 0.334 17838 690 1 1 . 1 1 126 126 ALA N N 395 118.600 118.600 120.353 -1.753 17838 691 1 1 . 1 1 126 126 ALA HA H 395 4.220 4.220 4.003 0.217 17838 692 1 1 . 1 1 126 126 ALA C C 395 176.770 176.770 176.685 0.085 17838 693 1 1 . 1 1 126 126 ALA CA C 395 52.850 52.850 53.830 -0.980 17838 694 1 1 . 1 1 126 126 ALA CB C 395 19.460 19.460 19.253 0.207 17838 695 1 1 . 1 1 126 126 ALA H H 395 7.850 7.850 7.901 -0.051 17838 696 1 1 . 1 1 127 127 ASN N N 396 115.840 115.840 114.619 1.221 17838 697 1 1 . 1 1 127 127 ASN HA H 396 5.100 5.100 4.877 0.223 17838 698 1 1 . 1 1 127 127 ASN CA C 396 51.110 51.110 53.300 -2.190 17838 699 1 1 . 1 1 127 127 ASN CB C 396 40.740 40.740 38.239 2.501 17838 700 1 1 . 1 1 127 127 ASN H H 396 7.150 7.150 7.942 -0.792 17838 701 1 1 . 1 1 128 128 PRO HA H 397 4.750 4.750 4.587 0.163 17838 702 1 1 . 1 1 128 128 PRO C C 397 177.390 177.390 176.040 1.350 17838 703 1 1 . 1 1 128 128 PRO CA C 397 63.910 63.910 62.960 0.950 17838 704 1 1 . 1 1 128 128 PRO CB C 397 32.250 32.250 32.213 0.037 17838 705 1 1 . 1 1 129 129 ARG N N 398 111.560 111.560 115.790 -4.230 17838 706 1 1 . 1 1 129 129 ARG HA H 398 3.530 3.530 4.828 -1.298 17838 707 1 1 . 1 1 129 129 ARG C C 398 174.880 174.880 175.306 -0.426 17838 708 1 1 . 1 1 129 129 ARG CA C 398 58.750 58.750 54.431 4.319 17838 709 1 1 . 1 1 129 129 ARG CB C 398 29.040 29.040 30.143 -1.103 17838 710 1 1 . 1 1 129 129 ARG H H 398 8.300 8.300 8.479 -0.179 17838 711 1 1 . 1 1 130 130 ARG N N 399 120.840 120.840 122.485 -1.645 17838 712 1 1 . 1 1 130 130 ARG HA H 399 4.800 4.800 4.556 0.244 17838 713 1 1 . 1 1 130 130 ARG CA C 399 53.050 53.050 52.639 0.411 17838 714 1 1 . 1 1 130 130 ARG CB C 399 31.420 31.420 29.451 1.969 17838 715 1 1 . 1 1 130 130 ARG H H 399 7.980 7.980 7.917 0.063 17838 716 1 1 . 1 1 131 131 PRO HA H 400 4.810 4.810 4.558 0.252 17838 717 1 1 . 1 1 131 131 PRO C C 400 176.610 176.610 175.398 1.212 17838 718 1 1 . 1 1 131 131 PRO CA C 400 61.490 61.490 62.544 -1.054 17838 719 1 1 . 1 1 131 131 PRO CB C 400 43.560 43.560 30.978 12.582 17838 720 1 1 . 1 1 132 132 ILE N N 401 123.900 123.900 124.510 -0.610 17838 721 1 1 . 1 1 132 132 ILE HA H 401 4.530 4.530 4.228 0.302 17838 722 1 1 . 1 1 132 132 ILE C C 401 176.480 176.480 175.486 0.994 17838 723 1 1 . 1 1 132 132 ILE CA C 401 58.360 58.360 59.528 -1.168 17838 724 1 1 . 1 1 132 132 ILE CB C 401 39.250 39.250 36.816 2.434 17838 725 1 1 . 1 1 132 132 ILE H H 401 9.000 9.000 8.122 0.878 17838 726 1 1 . 1 1 133 133 ALA N N 402 137.830 137.830 131.883 5.947 17838 727 1 1 . 1 1 133 133 ALA HA H 402 4.920 4.920 4.815 0.105 17838 728 1 1 . 1 1 133 133 ALA C C 402 175.260 175.260 176.534 -1.274 17838 729 1 1 . 1 1 133 133 ALA CA C 402 51.090 51.090 51.577 -0.487 17838 730 1 1 . 1 1 133 133 ALA CB C 402 20.360 20.360 19.954 0.406 17838 731 1 1 . 1 1 133 133 ALA H H 402 9.560 9.560 8.660 0.900 17838 732 1 1 . 1 1 134 134 GLN N N 403 119.730 119.730 123.699 -3.969 17838 733 1 1 . 1 1 134 134 GLN HA H 403 4.020 4.020 4.780 -0.760 17838 734 1 1 . 1 1 134 134 GLN C C 403 173.700 173.700 174.340 -0.640 17838 735 1 1 . 1 1 134 134 GLN CA C 403 55.050 55.050 54.467 0.583 17838 736 1 1 . 1 1 134 134 GLN CB C 403 32.660 32.660 32.395 0.265 17838 737 1 1 . 1 1 134 134 GLN H H 403 7.620 7.620 8.741 -1.121 17838 738 1 1 . 1 1 135 135 TRP N N 404 123.420 123.420 120.759 2.661 17838 739 1 1 . 1 1 135 135 TRP HA H 404 4.510 4.510 5.420 -0.910 17838 740 1 1 . 1 1 135 135 TRP C C 404 176.280 176.280 175.054 1.226 17838 741 1 1 . 1 1 135 135 TRP CA C 404 57.880 57.880 54.990 2.890 17838 742 1 1 . 1 1 135 135 TRP CB C 404 30.110 30.110 31.789 -1.679 17838 743 1 1 . 1 1 135 135 TRP H H 404 8.310 8.310 8.373 -0.063 17838 744 1 1 . 1 1 136 136 HIS N N 405 117.210 117.210 119.078 -1.868 17838 745 1 1 . 1 1 136 136 HIS HA H 405 4.810 4.810 4.411 0.399 17838 746 1 1 . 1 1 136 136 HIS C C 405 173.490 173.490 173.608 -0.118 17838 747 1 1 . 1 1 136 136 HIS CA C 405 55.160 55.160 55.729 -0.569 17838 748 1 1 . 1 1 136 136 HIS CB C 405 33.410 33.410 33.773 -0.363 17838 749 1 1 . 1 1 136 136 HIS H H 405 9.470 9.470 8.524 0.946 17838 750 1 1 . 1 1 137 137 THR N N 406 122.780 122.780 117.286 5.494 17838 751 1 1 . 1 1 137 137 THR HA H 406 4.840 4.840 4.795 0.045 17838 752 1 1 . 1 1 137 137 THR C C 406 174.350 174.350 174.293 0.057 17838 753 1 1 . 1 1 137 137 THR CA C 406 62.650 62.650 62.496 0.154 17838 754 1 1 . 1 1 137 137 THR CB C 406 70.330 70.330 69.082 1.248 17838 755 1 1 . 1 1 137 137 THR H H 406 9.430 9.430 7.828 1.602 17838 756 1 1 . 1 1 138 138 LEU N N 407 124.890 124.890 126.558 -1.668 17838 757 1 1 . 1 1 138 138 LEU HA H 407 3.910 3.910 4.541 -0.631 17838 758 1 1 . 1 1 138 138 LEU C C 407 175.480 175.480 177.019 -1.539 17838 759 1 1 . 1 1 138 138 LEU CA C 407 55.950 55.950 54.337 1.613 17838 760 1 1 . 1 1 138 138 LEU CB C 407 43.050 43.050 43.858 -0.808 17838 761 1 1 . 1 1 138 138 LEU H H 407 8.730 8.730 8.687 0.043 17838 762 1 1 . 1 1 139 139 GLN N N 408 119.630 119.630 123.011 -3.381 17838 763 1 1 . 1 1 139 139 GLN HA H 408 4.680 4.680 4.664 0.016 17838 764 1 1 . 1 1 139 139 GLN C C 408 175.100 175.100 175.469 -0.369 17838 765 1 1 . 1 1 139 139 GLN CA C 408 53.830 53.830 53.657 0.173 17838 766 1 1 . 1 1 139 139 GLN CB C 408 32.150 32.150 30.172 1.978 17838 767 1 1 . 1 1 139 139 GLN H H 408 8.470 8.470 8.374 0.096 17838 768 1 1 . 1 1 140 140 VAL N N 409 119.820 119.820 116.737 3.083 17838 769 1 1 . 1 1 140 140 VAL HA H 409 3.850 3.850 4.229 -0.379 17838 770 1 1 . 1 1 140 140 VAL C C 409 178.020 178.020 177.881 0.139 17838 771 1 1 . 1 1 140 140 VAL CA C 409 63.130 63.130 62.642 0.488 17838 772 1 1 . 1 1 140 140 VAL CB C 409 32.500 32.500 32.257 0.243 17838 773 1 1 . 1 1 140 140 VAL H H 409 8.410 8.410 8.396 0.014 17838 774 1 1 . 1 1 141 141 GLU N N 410 127.170 127.170 121.032 6.138 17838 775 1 1 . 1 1 141 141 GLU HA H 410 3.490 3.490 3.998 -0.508 17838 776 1 1 . 1 1 141 141 GLU C C 410 176.850 176.850 178.073 -1.223 17838 777 1 1 . 1 1 141 141 GLU CA C 410 60.610 60.610 59.156 1.454 17838 778 1 1 . 1 1 141 141 GLU CB C 410 29.530 29.530 28.798 0.732 17838 779 1 1 . 1 1 141 141 GLU H H 410 8.940 8.940 8.747 0.193 17838 780 1 1 . 1 1 142 142 GLU N N 411 115.780 115.780 120.115 -4.335 17838 781 1 1 . 1 1 142 142 GLU HA H 411 3.950 3.950 4.108 -0.158 17838 782 1 1 . 1 1 142 142 GLU C C 411 179.050 179.050 178.207 0.843 17838 783 1 1 . 1 1 142 142 GLU CA C 411 59.920 59.920 59.207 0.713 17838 784 1 1 . 1 1 142 142 GLU CB C 411 28.940 28.940 29.026 -0.086 17838 785 1 1 . 1 1 142 142 GLU H H 411 9.070 9.070 8.318 0.752 17838 786 1 1 . 1 1 143 143 GLU N N 412 118.520 118.520 117.763 0.757 17838 787 1 1 . 1 1 143 143 GLU HA H 412 4.050 4.050 4.255 -0.205 17838 788 1 1 . 1 1 143 143 GLU C C 412 178.870 178.870 178.856 0.014 17838 789 1 1 . 1 1 143 143 GLU CA C 412 58.590 58.590 57.868 0.722 17838 790 1 1 . 1 1 143 143 GLU CB C 412 29.190 29.190 29.858 -0.668 17838 791 1 1 . 1 1 143 143 GLU H H 412 7.080 7.080 7.700 -0.620 17838 792 1 1 . 1 1 144 144 VAL N N 413 121.110 121.110 120.842 0.268 17838 793 1 1 . 1 1 144 144 VAL HA H 413 3.680 3.680 3.818 -0.138 17838 794 1 1 . 1 1 144 144 VAL C C 413 177.970 177.970 176.988 0.982 17838 795 1 1 . 1 1 144 144 VAL CA C 413 66.140 66.140 65.173 0.967 17838 796 1 1 . 1 1 144 144 VAL CB C 413 31.620 31.620 31.671 -0.051 17838 797 1 1 . 1 1 144 144 VAL H H 413 7.550 7.550 7.442 0.108 17838 798 1 1 . 1 1 145 145 ASP N N 414 120.040 120.040 120.588 -0.548 17838 799 1 1 . 1 1 145 145 ASP HA H 414 4.020 4.020 4.371 -0.351 17838 800 1 1 . 1 1 145 145 ASP C C 414 178.910 178.910 176.780 2.130 17838 801 1 1 . 1 1 145 145 ASP CA C 414 57.620 57.620 57.110 0.510 17838 802 1 1 . 1 1 145 145 ASP CB C 414 38.690 38.690 40.861 -2.171 17838 803 1 1 . 1 1 145 145 ASP H H 414 8.660 8.660 7.893 0.767 17838 804 1 1 . 1 1 146 146 ALA N N 415 121.010 121.010 117.714 3.296 17838 805 1 1 . 1 1 146 146 ALA HA H 415 4.020 4.020 4.383 -0.363 17838 806 1 1 . 1 1 146 146 ALA C C 415 179.930 179.930 177.568 2.362 17838 807 1 1 . 1 1 146 146 ALA CA C 415 54.820 54.820 52.792 2.027 17838 808 1 1 . 1 1 146 146 ALA CB C 415 17.910 17.910 19.589 -1.679 17838 809 1 1 . 1 1 146 146 ALA H H 415 7.270 7.270 7.365 -0.095 17838 810 1 1 . 1 1 147 147 MET N N 416 116.980 116.980 116.169 0.811 17838 811 1 1 . 1 1 147 147 MET HA H 416 4.150 4.150 4.206 -0.056 17838 812 1 1 . 1 1 147 147 MET C C 416 177.990 177.990 177.468 0.522 17838 813 1 1 . 1 1 147 147 MET CA C 416 57.600 57.600 55.193 2.407 17838 814 1 1 . 1 1 147 147 MET CB C 416 33.140 33.140 33.595 -0.455 17838 815 1 1 . 1 1 147 147 MET H H 416 7.410 7.410 7.541 -0.131 17838 816 1 1 . 1 1 148 148 LEU N N 417 118.550 118.550 114.939 3.611 17838 817 1 1 . 1 1 148 148 LEU HA H 417 3.540 3.540 4.295 -0.755 17838 818 1 1 . 1 1 148 148 LEU C C 417 176.810 176.810 177.312 -0.502 17838 819 1 1 . 1 1 148 148 LEU CA C 417 55.670 55.670 56.717 -1.047 17838 820 1 1 . 1 1 148 148 LEU CB C 417 42.650 42.650 41.085 1.565 17838 821 1 1 . 1 1 148 148 LEU H H 417 7.560 7.560 7.789 -0.229 17838 822 1 1 . 1 1 149 149 ALA N N 418 119.940 119.940 122.916 -2.976 17838 823 1 1 . 1 1 149 149 ALA HA H 418 4.010 4.010 4.279 -0.269 17838 824 1 1 . 1 1 149 149 ALA C C 418 177.010 177.010 176.765 0.245 17838 825 1 1 . 1 1 149 149 ALA CA C 418 52.310 52.310 50.970 1.340 17838 826 1 1 . 1 1 149 149 ALA CB C 418 18.700 18.700 17.132 1.568 17838 827 1 1 . 1 1 149 149 ALA H H 418 7.080 7.080 7.685 -0.605 17838 828 1 1 . 1 1 150 150 VAL N N 419 118.810 118.810 118.695 0.115 17838 829 1 1 . 1 1 150 150 VAL HA H 419 3.840 3.840 3.787 0.053 17838 830 1 1 . 1 1 150 150 VAL C C 419 175.760 175.760 175.794 -0.034 17838 831 1 1 . 1 1 150 150 VAL CA C 419 62.930 62.930 63.589 -0.659 17838 832 1 1 . 1 1 150 150 VAL CB C 419 32.450 32.450 30.509 1.941 17838 833 1 1 . 1 1 150 150 VAL H H 419 7.560 7.560 7.837 -0.277 17838 834 1 1 . 1 1 151 151 LYS N N 420 126.620 126.620 124.205 2.415 17838 835 1 1 . 1 1 151 151 LYS HA H 420 4.260 4.260 4.265 -0.005 17838 836 1 1 . 1 1 151 151 LYS C C 420 175.210 175.210 175.304 -0.094 17838 837 1 1 . 1 1 151 151 LYS CA C 420 56.050 56.050 56.410 -0.360 17838 838 1 1 . 1 1 151 151 LYS CB C 420 33.050 33.050 33.310 -0.260 17838 839 1 1 . 1 1 151 151 LYS H H 420 8.290 8.290 8.566 -0.276 17838 840 1 2 . 1 1 3 3 LYS N N 272 123.800 123.800 120.205 3.595 17838 841 1 2 . 1 1 3 3 LYS HA H 272 4.190 4.190 3.989 0.201 17838 842 1 2 . 1 1 3 3 LYS C C 272 176.410 176.410 175.586 0.824 17838 843 1 2 . 1 1 3 3 LYS CA C 272 56.160 56.160 56.911 -0.751 17838 844 1 2 . 1 1 3 3 LYS CB C 272 31.950 31.950 31.428 0.522 17838 845 1 2 . 1 1 3 3 LYS H H 272 8.470 8.470 8.396 0.074 17838 846 1 2 . 1 1 4 4 LEU N N 273 125.150 125.150 117.278 7.872 17838 847 1 2 . 1 1 4 4 LEU HA H 273 4.200 4.200 4.480 -0.280 17838 848 1 2 . 1 1 4 4 LEU C C 273 175.130 175.130 176.724 -1.594 17838 849 1 2 . 1 1 4 4 LEU CA C 273 55.940 55.940 55.048 0.892 17838 850 1 2 . 1 1 4 4 LEU CB C 273 43.330 43.330 43.077 0.253 17838 851 1 2 . 1 1 4 4 LEU H H 273 8.610 8.610 8.412 0.198 17838 852 1 2 . 1 1 5 5 GLY N N 274 102.380 102.380 103.857 -1.477 17838 853 1 2 . 1 1 5 5 GLY C C 274 171.630 171.630 172.137 -0.507 17838 854 1 2 . 1 1 5 5 GLY CA C 274 44.480 44.480 44.919 -0.439 17838 855 1 2 . 1 1 5 5 GLY H H 274 7.170 7.170 7.596 -0.426 17838 856 1 2 . 1 1 6 6 ASP N N 275 116.430 116.430 125.178 -8.748 17838 857 1 2 . 1 1 6 6 ASP HA H 275 5.760 5.760 5.142 0.618 17838 858 1 2 . 1 1 6 6 ASP C C 275 174.880 174.880 173.988 0.892 17838 859 1 2 . 1 1 6 6 ASP CA C 275 53.160 53.160 54.210 -1.050 17838 860 1 2 . 1 1 6 6 ASP CB C 275 45.720 45.720 43.386 2.334 17838 861 1 2 . 1 1 6 6 ASP H H 275 8.500 8.500 8.360 0.140 17838 862 1 2 . 1 1 7 7 ILE N N 276 118.640 118.640 123.635 -4.995 17838 863 1 2 . 1 1 7 7 ILE HA H 276 5.220 5.220 4.444 0.776 17838 864 1 2 . 1 1 7 7 ILE C C 276 173.900 173.900 173.678 0.222 17838 865 1 2 . 1 1 7 7 ILE CA C 276 58.730 58.730 60.354 -1.624 17838 866 1 2 . 1 1 7 7 ILE CB C 276 43.680 43.680 43.252 0.428 17838 867 1 2 . 1 1 7 7 ILE H H 276 9.930 9.930 8.899 1.031 17838 868 1 2 . 1 1 8 8 CYS N N 277 128.550 128.550 126.672 1.878 17838 869 1 2 . 1 1 8 8 CYS HA H 277 4.560 4.560 5.155 -0.595 17838 870 1 2 . 1 1 8 8 CYS C C 277 173.900 173.900 173.708 0.192 17838 871 1 2 . 1 1 8 8 CYS CA C 277 56.340 56.340 56.420 -0.080 17838 872 1 2 . 1 1 8 8 CYS CB C 277 25.930 25.930 27.900 -1.970 17838 873 1 2 . 1 1 8 8 CYS H H 277 8.920 8.920 8.952 -0.032 17838 874 1 2 . 1 1 9 9 PHE N N 278 121.320 121.320 125.910 -4.590 17838 875 1 2 . 1 1 9 9 PHE HA H 278 5.330 5.330 5.228 0.102 17838 876 1 2 . 1 1 9 9 PHE C C 278 173.180 173.180 174.111 -0.931 17838 877 1 2 . 1 1 9 9 PHE CA C 278 54.720 54.720 54.389 0.331 17838 878 1 2 . 1 1 9 9 PHE CB C 278 43.080 43.080 40.707 2.373 17838 879 1 2 . 1 1 9 9 PHE H H 278 7.650 7.650 7.676 -0.025 17838 880 1 2 . 1 1 10 10 SER N N 279 116.160 116.160 117.249 -1.089 17838 881 1 2 . 1 1 10 10 SER HA H 279 5.870 5.870 5.037 0.833 17838 882 1 2 . 1 1 10 10 SER C C 279 172.820 172.820 173.873 -1.053 17838 883 1 2 . 1 1 10 10 SER CA C 279 54.990 54.990 58.095 -3.105 17838 884 1 2 . 1 1 10 10 SER CB C 279 66.260 66.260 63.890 2.370 17838 885 1 2 . 1 1 10 10 SER H H 279 9.920 9.920 9.131 0.789 17838 886 1 2 . 1 1 11 11 LEU N N 280 121.460 121.460 126.366 -4.906 17838 887 1 2 . 1 1 11 11 LEU HA H 280 5.100 5.100 4.548 0.552 17838 888 1 2 . 1 1 11 11 LEU C C 280 174.900 174.900 175.716 -0.816 17838 889 1 2 . 1 1 11 11 LEU CA C 280 53.020 53.020 54.323 -1.303 17838 890 1 2 . 1 1 11 11 LEU CB C 280 46.790 46.790 40.664 6.126 17838 891 1 2 . 1 1 11 11 LEU H H 280 8.270 8.270 8.476 -0.206 17838 892 1 2 . 1 1 12 12 ARG N N 281 120.480 120.480 120.227 0.253 17838 893 1 2 . 1 1 12 12 ARG HA H 281 4.740 4.740 4.618 0.122 17838 894 1 2 . 1 1 12 12 ARG C C 281 173.410 173.410 173.304 0.106 17838 895 1 2 . 1 1 12 12 ARG CA C 281 54.810 54.810 54.978 -0.168 17838 896 1 2 . 1 1 12 12 ARG CB C 281 34.560 34.560 33.216 1.344 17838 897 1 2 . 1 1 12 12 ARG H H 281 8.240 8.240 8.017 0.223 17838 898 1 2 . 1 1 13 13 TYR N N 282 127.490 127.490 120.980 6.510 17838 899 1 2 . 1 1 13 13 TYR HA H 282 5.490 5.490 4.754 0.736 17838 900 1 2 . 1 1 13 13 TYR C C 282 174.270 174.270 173.615 0.655 17838 901 1 2 . 1 1 13 13 TYR CA C 282 56.410 56.410 56.196 0.214 17838 902 1 2 . 1 1 13 13 TYR CB C 282 39.740 39.740 42.758 -3.018 17838 903 1 2 . 1 1 13 13 TYR H H 282 9.370 9.370 8.503 0.867 17838 904 1 2 . 1 1 14 14 VAL N N 283 127.660 127.660 124.637 3.023 17838 905 1 2 . 1 1 14 14 VAL HA H 283 4.240 4.240 4.338 -0.098 17838 906 1 2 . 1 1 14 14 VAL CA C 283 58.700 58.700 59.025 -0.325 17838 907 1 2 . 1 1 14 14 VAL CB C 283 32.450 32.450 32.324 0.126 17838 908 1 2 . 1 1 14 14 VAL H H 283 7.480 7.480 8.364 -0.884 17838 909 1 2 . 1 1 15 15 PRO HA H 284 3.780 3.780 4.318 -0.538 17838 910 1 2 . 1 1 15 15 PRO C C 284 178.150 178.150 177.104 1.046 17838 911 1 2 . 1 1 15 15 PRO CA C 284 65.540 65.540 64.604 0.936 17838 912 1 2 . 1 1 15 15 PRO CB C 284 32.360 32.360 31.499 0.861 17838 913 1 2 . 1 1 16 16 THR N N 285 109.040 109.040 113.636 -4.596 17838 914 1 2 . 1 1 16 16 THR HA H 285 3.850 3.850 4.149 -0.299 17838 915 1 2 . 1 1 16 16 THR C C 285 174.880 174.880 174.877 0.003 17838 916 1 2 . 1 1 16 16 THR CA C 285 64.490 64.490 64.599 -0.109 17838 917 1 2 . 1 1 16 16 THR CB C 285 68.150 68.150 68.337 -0.187 17838 918 1 2 . 1 1 16 16 THR H H 285 7.690 7.690 7.893 -0.203 17838 919 1 2 . 1 1 17 17 ALA N N 286 119.760 119.760 121.135 -1.375 17838 920 1 2 . 1 1 17 17 ALA HA H 286 4.380 4.380 4.492 -0.112 17838 921 1 2 . 1 1 17 17 ALA C C 286 177.040 177.040 176.936 0.104 17838 922 1 2 . 1 1 17 17 ALA CA C 286 51.450 51.450 51.753 -0.303 17838 923 1 2 . 1 1 17 17 ALA CB C 286 20.320 20.320 20.690 -0.370 17838 924 1 2 . 1 1 17 17 ALA H H 286 6.520 6.520 7.302 -0.782 17838 925 1 2 . 1 1 18 18 GLY N N 287 109.040 109.040 108.934 0.106 17838 926 1 2 . 1 1 18 18 GLY C C 287 173.990 173.990 172.970 1.020 17838 927 1 2 . 1 1 18 18 GLY CA C 287 47.150 47.150 45.167 1.983 17838 928 1 2 . 1 1 18 18 GLY H H 287 7.690 7.690 7.903 -0.213 17838 929 1 2 . 1 1 19 19 LYS N N 288 117.030 117.030 115.918 1.112 17838 930 1 2 . 1 1 19 19 LYS HA H 288 4.890 4.890 5.013 -0.123 17838 931 1 2 . 1 1 19 19 LYS C C 288 173.910 173.910 174.261 -0.351 17838 932 1 2 . 1 1 19 19 LYS CA C 288 55.100 55.100 54.341 0.759 17838 933 1 2 . 1 1 19 19 LYS CB C 288 35.520 35.520 35.973 -0.453 17838 934 1 2 . 1 1 19 19 LYS H H 288 6.630 6.630 7.473 -0.843 17838 935 1 2 . 1 1 20 20 LEU N N 289 131.970 131.970 121.130 10.840 17838 936 1 2 . 1 1 20 20 LEU HA H 289 5.480 5.480 4.649 0.831 17838 937 1 2 . 1 1 20 20 LEU C C 289 174.750 174.750 176.880 -2.130 17838 938 1 2 . 1 1 20 20 LEU CA C 289 53.620 53.620 55.082 -1.462 17838 939 1 2 . 1 1 20 20 LEU CB C 289 45.840 45.840 43.738 2.102 17838 940 1 2 . 1 1 20 20 LEU H H 289 9.260 9.260 9.016 0.244 17838 941 1 2 . 1 1 21 21 THR N N 290 124.180 124.180 118.068 6.112 17838 942 1 2 . 1 1 21 21 THR HA H 290 5.260 5.260 4.787 0.473 17838 943 1 2 . 1 1 21 21 THR C C 290 173.650 173.650 173.518 0.132 17838 944 1 2 . 1 1 21 21 THR CA C 290 62.070 62.070 62.285 -0.215 17838 945 1 2 . 1 1 21 21 THR CB C 290 70.920 70.920 69.426 1.494 17838 946 1 2 . 1 1 21 21 THR H H 290 9.770 9.770 8.184 1.586 17838 947 1 2 . 1 1 22 22 VAL N N 291 129.970 129.970 128.395 1.575 17838 948 1 2 . 1 1 22 22 VAL HA H 291 5.010 5.010 4.255 0.754 17838 949 1 2 . 1 1 22 22 VAL C C 291 174.510 174.510 175.173 -0.663 17838 950 1 2 . 1 1 22 22 VAL CA C 291 59.970 59.970 62.119 -2.149 17838 951 1 2 . 1 1 22 22 VAL CB C 291 34.900 34.900 32.644 2.256 17838 952 1 2 . 1 1 22 22 VAL H H 291 9.510 9.510 8.967 0.543 17838 953 1 2 . 1 1 23 23 VAL N N 292 125.670 125.670 128.438 -2.768 17838 954 1 2 . 1 1 23 23 VAL HA H 292 4.830 4.830 4.983 -0.153 17838 955 1 2 . 1 1 23 23 VAL C C 292 177.610 177.610 175.821 1.789 17838 956 1 2 . 1 1 23 23 VAL CA C 292 60.370 60.370 60.617 -0.247 17838 957 1 2 . 1 1 23 23 VAL CB C 292 32.230 32.230 31.767 0.463 17838 958 1 2 . 1 1 23 23 VAL H H 292 8.650 8.650 8.572 0.078 17838 959 1 2 . 1 1 24 24 ILE N N 293 125.630 125.630 128.328 -2.698 17838 960 1 2 . 1 1 24 24 ILE HA H 293 4.010 4.010 4.243 -0.233 17838 961 1 2 . 1 1 24 24 ILE C C 293 175.140 175.140 176.374 -1.234 17838 962 1 2 . 1 1 24 24 ILE CA C 293 58.560 58.560 62.031 -3.471 17838 963 1 2 . 1 1 24 24 ILE CB C 293 34.580 34.580 37.351 -2.771 17838 964 1 2 . 1 1 24 24 ILE H H 293 9.100 9.100 8.230 0.870 17838 965 1 2 . 1 1 25 25 LEU N N 294 130.570 130.570 129.881 0.689 17838 966 1 2 . 1 1 25 25 LEU HA H 294 4.110 4.110 4.431 -0.321 17838 967 1 2 . 1 1 25 25 LEU C C 294 175.250 175.250 176.942 -1.692 17838 968 1 2 . 1 1 25 25 LEU CA C 294 58.210 58.210 57.413 0.796 17838 969 1 2 . 1 1 25 25 LEU CB C 294 41.470 41.470 42.453 -0.983 17838 970 1 2 . 1 1 25 25 LEU H H 294 8.260 8.260 8.468 -0.208 17838 971 1 2 . 1 1 26 26 GLU N N 295 111.970 111.970 111.245 0.725 17838 972 1 2 . 1 1 26 26 GLU HA H 295 5.050 5.050 5.279 -0.229 17838 973 1 2 . 1 1 26 26 GLU C C 295 172.250 172.250 174.301 -2.051 17838 974 1 2 . 1 1 26 26 GLU CA C 295 54.970 54.970 54.991 -0.021 17838 975 1 2 . 1 1 26 26 GLU CB C 295 32.990 32.990 33.183 -0.193 17838 976 1 2 . 1 1 26 26 GLU H H 295 7.490 7.490 7.808 -0.318 17838 977 1 2 . 1 1 27 27 ALA N N 296 121.530 121.530 120.712 0.818 17838 978 1 2 . 1 1 27 27 ALA HA H 296 5.550 5.550 4.785 0.765 17838 979 1 2 . 1 1 27 27 ALA C C 296 174.560 174.560 175.569 -1.009 17838 980 1 2 . 1 1 27 27 ALA CA C 296 50.780 50.780 50.909 -0.129 17838 981 1 2 . 1 1 27 27 ALA CB C 296 22.690 22.690 22.770 -0.080 17838 982 1 2 . 1 1 27 27 ALA H H 296 9.170 9.170 7.995 1.175 17838 983 1 2 . 1 1 28 28 LYS N N 297 116.690 116.690 120.844 -4.154 17838 984 1 2 . 1 1 28 28 LYS HA H 297 5.380 5.380 4.633 0.747 17838 985 1 2 . 1 1 28 28 LYS C C 297 174.200 174.200 175.393 -1.193 17838 986 1 2 . 1 1 28 28 LYS CA C 297 54.970 54.970 55.693 -0.723 17838 987 1 2 . 1 1 28 28 LYS CB C 297 37.660 37.660 31.798 5.862 17838 988 1 2 . 1 1 28 28 LYS H H 297 9.190 9.190 8.605 0.585 17838 989 1 2 . 1 1 29 29 ASN N N 298 115.540 115.540 115.195 0.345 17838 990 1 2 . 1 1 29 29 ASN HA H 298 4.150 4.150 4.789 -0.639 17838 991 1 2 . 1 1 29 29 ASN C C 298 173.850 173.850 175.433 -1.583 17838 992 1 2 . 1 1 29 29 ASN CA C 298 53.600 53.600 53.271 0.329 17838 993 1 2 . 1 1 29 29 ASN CB C 298 37.000 37.000 40.391 -3.390 17838 994 1 2 . 1 1 29 29 ASN H H 298 8.640 8.640 8.158 0.482 17838 995 1 2 . 1 1 30 30 LEU N N 299 114.360 114.360 123.939 -9.579 17838 996 1 2 . 1 1 30 30 LEU HA H 299 4.500 4.500 4.494 0.006 17838 997 1 2 . 1 1 30 30 LEU C C 299 174.750 174.750 175.540 -0.790 17838 998 1 2 . 1 1 30 30 LEU CA C 299 55.010 55.010 53.757 1.253 17838 999 1 2 . 1 1 30 30 LEU CB C 299 42.820 42.820 39.687 3.133 17838 1000 1 2 . 1 1 30 30 LEU H H 299 8.210 8.210 7.932 0.278 17838 1001 1 2 . 1 1 31 31 LYS N N 300 119.660 119.660 123.439 -3.779 17838 1002 1 2 . 1 1 31 31 LYS HA H 300 3.900 3.900 4.198 -0.298 17838 1003 1 2 . 1 1 31 31 LYS C C 300 175.130 175.130 176.098 -0.968 17838 1004 1 2 . 1 1 31 31 LYS CA C 300 56.630 56.630 56.063 0.567 17838 1005 1 2 . 1 1 31 31 LYS CB C 300 35.060 35.060 33.883 1.177 17838 1006 1 2 . 1 1 31 31 LYS H H 300 6.830 6.830 8.270 -1.440 17838 1007 1 2 . 1 1 32 32 LYS N N 301 124.550 124.550 123.423 1.127 17838 1008 1 2 . 1 1 32 32 LYS HA H 301 3.760 3.760 4.182 -0.422 17838 1009 1 2 . 1 1 32 32 LYS C C 301 175.590 175.590 176.925 -1.335 17838 1010 1 2 . 1 1 32 32 LYS CA C 301 56.900 56.900 57.543 -0.643 17838 1011 1 2 . 1 1 32 32 LYS CB C 301 32.990 32.990 30.969 2.021 17838 1012 1 2 . 1 1 32 32 LYS H H 301 8.060 8.060 8.595 -0.535 17838 1013 1 2 . 1 1 33 33 MET N N 302 122.790 122.790 119.284 3.506 17838 1014 1 2 . 1 1 33 33 MET HA H 302 4.720 4.720 4.472 0.248 17838 1015 1 2 . 1 1 33 33 MET C C 302 176.510 176.510 176.583 -0.073 17838 1016 1 2 . 1 1 33 33 MET CA C 302 53.860 53.860 56.614 -2.754 17838 1017 1 2 . 1 1 33 33 MET CB C 302 32.590 32.590 33.222 -0.632 17838 1018 1 2 . 1 1 33 33 MET H H 302 7.970 7.970 7.834 0.136 17838 1019 1 2 . 1 1 34 34 ASP N N 303 124.630 124.630 122.353 2.277 17838 1020 1 2 . 1 1 34 34 ASP HA H 303 5.030 5.030 4.625 0.405 17838 1021 1 2 . 1 1 34 34 ASP CA C 303 52.810 52.810 54.154 -1.345 17838 1022 1 2 . 1 1 34 34 ASP CB C 303 41.950 41.950 41.888 0.062 17838 1023 1 2 . 1 1 34 34 ASP H H 303 8.080 8.080 8.104 -0.024 17838 1024 1 2 . 1 1 35 35 VAL N N 304 125.910 125.910 127.145 -1.235 17838 1025 1 2 . 1 1 35 35 VAL HA H 304 3.690 3.690 3.845 -0.155 17838 1026 1 2 . 1 1 35 35 VAL C C 304 176.820 176.820 176.418 0.402 17838 1027 1 2 . 1 1 35 35 VAL CA C 304 64.750 64.750 63.400 1.350 17838 1028 1 2 . 1 1 35 35 VAL CB C 304 31.120 31.120 30.544 0.577 17838 1029 1 2 . 1 1 35 35 VAL H H 304 8.760 8.760 8.641 0.119 17838 1030 1 2 . 1 1 36 36 GLY N N 305 115.560 115.560 114.243 1.317 17838 1031 1 2 . 1 1 36 36 GLY C C 305 174.160 174.160 174.040 0.120 17838 1032 1 2 . 1 1 36 36 GLY CA C 305 45.740 45.740 44.846 0.894 17838 1033 1 2 . 1 1 36 36 GLY H H 305 8.830 8.830 8.048 0.782 17838 1034 1 2 . 1 1 37 37 GLY N N 306 109.040 109.040 107.599 1.441 17838 1035 1 2 . 1 1 37 37 GLY C C 306 173.030 173.030 172.524 0.506 17838 1036 1 2 . 1 1 37 37 GLY CA C 306 45.040 45.040 44.773 0.267 17838 1037 1 2 . 1 1 37 37 GLY H H 306 7.690 7.690 7.836 -0.146 17838 1038 1 2 . 1 1 38 38 LEU N N 307 124.610 124.610 119.542 5.068 17838 1039 1 2 . 1 1 38 38 LEU HA H 307 4.580 4.580 4.695 -0.115 17838 1040 1 2 . 1 1 38 38 LEU CA C 307 53.470 53.470 53.466 0.004 17838 1041 1 2 . 1 1 38 38 LEU CB C 307 42.060 42.060 45.290 -3.230 17838 1042 1 2 . 1 1 38 38 LEU H H 307 8.410 8.410 8.285 0.125 17838 1043 1 2 . 1 1 39 39 SER N N 308 115.270 115.270 113.855 1.415 17838 1044 1 2 . 1 1 39 39 SER HA H 308 4.490 4.490 4.577 -0.087 17838 1045 1 2 . 1 1 39 39 SER CA C 308 57.250 57.250 57.948 -0.698 17838 1046 1 2 . 1 1 39 39 SER CB C 308 68.290 68.290 65.319 2.971 17838 1047 1 2 . 1 1 39 39 SER H H 308 7.080 7.080 8.429 -1.349 17838 1048 1 2 . 1 1 40 40 ASP N N 309 121.280 121.280 121.693 -0.413 17838 1049 1 2 . 1 1 40 40 ASP HA H 309 5.880 5.880 5.246 0.634 17838 1050 1 2 . 1 1 40 40 ASP CA C 309 52.000 52.000 51.827 0.173 17838 1051 1 2 . 1 1 40 40 ASP CB C 309 42.350 42.350 42.640 -0.290 17838 1052 1 2 . 1 1 40 40 ASP H H 309 9.270 9.270 9.380 -0.110 17838 1053 1 2 . 1 1 41 41 PRO HA H 310 5.680 5.680 4.657 1.023 17838 1054 1 2 . 1 1 41 41 PRO C C 310 179.050 179.050 175.588 3.462 17838 1055 1 2 . 1 1 41 41 PRO CA C 310 62.970 62.970 62.504 0.466 17838 1056 1 2 . 1 1 41 41 PRO CB C 310 32.940 32.940 32.404 0.536 17838 1057 1 2 . 1 1 42 42 TYR N N 311 122.860 122.860 123.211 -0.351 17838 1058 1 2 . 1 1 42 42 TYR HA H 311 4.740 4.740 4.709 0.031 17838 1059 1 2 . 1 1 42 42 TYR C C 311 170.780 170.780 173.187 -2.407 17838 1060 1 2 . 1 1 42 42 TYR CA C 311 55.640 55.640 57.625 -1.985 17838 1061 1 2 . 1 1 42 42 TYR CB C 311 41.950 41.950 41.874 0.076 17838 1062 1 2 . 1 1 42 42 TYR H H 311 9.130 9.130 8.538 0.592 17838 1063 1 2 . 1 1 43 43 VAL N N 312 120.460 120.460 121.931 -1.471 17838 1064 1 2 . 1 1 43 43 VAL HA H 312 4.840 4.840 5.095 -0.255 17838 1065 1 2 . 1 1 43 43 VAL C C 312 174.430 174.430 173.654 0.776 17838 1066 1 2 . 1 1 43 43 VAL CA C 312 60.110 60.110 59.001 1.109 17838 1067 1 2 . 1 1 43 43 VAL CB C 312 33.430 33.430 35.909 -2.479 17838 1068 1 2 . 1 1 43 43 VAL H H 312 8.570 8.570 8.067 0.503 17838 1069 1 2 . 1 1 44 44 LYS N N 313 125.500 125.500 120.153 5.347 17838 1070 1 2 . 1 1 44 44 LYS HA H 313 4.840 4.840 4.553 0.287 17838 1071 1 2 . 1 1 44 44 LYS C C 313 174.300 174.300 174.519 -0.219 17838 1072 1 2 . 1 1 44 44 LYS CA C 313 54.680 54.680 54.321 0.359 17838 1073 1 2 . 1 1 44 44 LYS CB C 313 36.140 36.140 34.863 1.277 17838 1074 1 2 . 1 1 44 44 LYS H H 313 9.050 9.050 8.816 0.234 17838 1075 1 2 . 1 1 45 45 ILE N N 314 123.760 123.760 125.371 -1.611 17838 1076 1 2 . 1 1 45 45 ILE HA H 314 4.780 4.780 4.192 0.588 17838 1077 1 2 . 1 1 45 45 ILE C C 314 174.700 174.700 173.411 1.289 17838 1078 1 2 . 1 1 45 45 ILE CA C 314 60.050 60.050 59.711 0.339 17838 1079 1 2 . 1 1 45 45 ILE CB C 314 41.800 41.800 39.281 2.519 17838 1080 1 2 . 1 1 45 45 ILE H H 314 8.770 8.770 8.013 0.757 17838 1081 1 2 . 1 1 46 46 HIS N N 315 122.820 122.820 126.661 -3.841 17838 1082 1 2 . 1 1 46 46 HIS HA H 315 5.340 5.340 4.953 0.387 17838 1083 1 2 . 1 1 46 46 HIS C C 315 173.540 173.540 174.587 -1.047 17838 1084 1 2 . 1 1 46 46 HIS CA C 315 54.590 54.590 54.099 0.491 17838 1085 1 2 . 1 1 46 46 HIS CB C 315 34.280 34.280 32.019 2.261 17838 1086 1 2 . 1 1 46 46 HIS H H 315 9.070 9.070 8.919 0.151 17838 1087 1 2 . 1 1 47 47 LEU N N 316 124.780 124.780 121.068 3.712 17838 1088 1 2 . 1 1 47 47 LEU HA H 316 4.760 4.760 4.719 0.041 17838 1089 1 2 . 1 1 47 47 LEU C C 316 174.720 174.720 175.290 -0.570 17838 1090 1 2 . 1 1 47 47 LEU CA C 316 53.480 53.480 53.950 -0.470 17838 1091 1 2 . 1 1 47 47 LEU CB C 316 44.010 44.010 42.536 1.474 17838 1092 1 2 . 1 1 47 47 LEU H H 316 8.350 8.350 8.228 0.122 17838 1093 1 2 . 1 1 48 48 MET N N 317 125.550 125.550 121.539 4.011 17838 1094 1 2 . 1 1 48 48 MET HA H 317 5.360 5.360 5.024 0.336 17838 1095 1 2 . 1 1 48 48 MET C C 317 174.720 174.720 174.167 0.553 17838 1096 1 2 . 1 1 48 48 MET CA C 317 53.490 53.490 54.877 -1.387 17838 1097 1 2 . 1 1 48 48 MET CB C 317 35.800 35.800 36.537 -0.737 17838 1098 1 2 . 1 1 48 48 MET H H 317 9.240 9.240 9.019 0.221 17838 1099 1 2 . 1 1 49 49 GLN N N 318 118.130 118.130 121.776 -3.646 17838 1100 1 2 . 1 1 49 49 GLN HA H 318 4.350 4.350 4.731 -0.381 17838 1101 1 2 . 1 1 49 49 GLN C C 318 175.850 175.850 175.499 0.351 17838 1102 1 2 . 1 1 49 49 GLN CA C 318 56.330 56.330 54.869 1.461 17838 1103 1 2 . 1 1 49 49 GLN CB C 318 32.240 32.240 32.500 -0.260 17838 1104 1 2 . 1 1 49 49 GLN H H 318 8.510 8.510 9.070 -0.560 17838 1105 1 2 . 1 1 50 50 ASN N N 319 127.590 127.590 125.243 2.347 17838 1106 1 2 . 1 1 50 50 ASN HA H 319 4.250 4.250 4.358 -0.108 17838 1107 1 2 . 1 1 50 50 ASN C C 319 174.650 174.650 174.663 -0.013 17838 1108 1 2 . 1 1 50 50 ASN CA C 319 54.180 54.180 54.166 0.014 17838 1109 1 2 . 1 1 50 50 ASN CB C 319 37.640 37.640 38.322 -0.682 17838 1110 1 2 . 1 1 50 50 ASN H H 319 9.430 9.430 9.547 -0.117 17838 1111 1 2 . 1 1 51 51 GLY N N 320 104.030 104.030 103.047 0.983 17838 1112 1 2 . 1 1 51 51 GLY C C 320 173.160 173.160 173.446 -0.286 17838 1113 1 2 . 1 1 51 51 GLY CA C 320 45.480 45.480 45.286 0.194 17838 1114 1 2 . 1 1 51 51 GLY H H 320 8.950 8.950 8.732 0.218 17838 1115 1 2 . 1 1 52 52 LYS N N 321 120.220 120.220 120.312 -0.092 17838 1116 1 2 . 1 1 52 52 LYS HA H 321 4.400 4.400 4.805 -0.405 17838 1117 1 2 . 1 1 52 52 LYS C C 321 175.370 175.370 175.866 -0.496 17838 1118 1 2 . 1 1 52 52 LYS CA C 321 54.340 54.340 53.812 0.528 17838 1119 1 2 . 1 1 52 52 LYS CB C 321 34.230 34.230 34.979 -0.749 17838 1120 1 2 . 1 1 52 52 LYS H H 321 7.650 7.650 7.771 -0.121 17838 1121 1 2 . 1 1 53 53 ARG N N 322 123.540 123.540 124.131 -0.591 17838 1122 1 2 . 1 1 53 53 ARG HA H 322 4.410 4.410 4.310 0.100 17838 1123 1 2 . 1 1 53 53 ARG C C 322 175.650 175.650 175.176 0.474 17838 1124 1 2 . 1 1 53 53 ARG CA C 322 56.620 56.620 57.216 -0.596 17838 1125 1 2 . 1 1 53 53 ARG CB C 322 29.960 29.960 30.327 -0.367 17838 1126 1 2 . 1 1 53 53 ARG H H 322 8.700 8.700 8.770 -0.070 17838 1127 1 2 . 1 1 54 54 LEU N N 323 127.220 127.220 125.853 1.367 17838 1128 1 2 . 1 1 54 54 LEU HA H 323 4.350 4.350 4.488 -0.138 17838 1129 1 2 . 1 1 54 54 LEU C C 323 177.380 177.380 176.647 0.733 17838 1130 1 2 . 1 1 54 54 LEU CA C 323 56.230 56.230 55.319 0.911 17838 1131 1 2 . 1 1 54 54 LEU CB C 323 42.950 42.950 43.888 -0.938 17838 1132 1 2 . 1 1 54 54 LEU H H 323 9.270 9.270 8.931 0.339 17838 1133 1 2 . 1 1 55 55 LYS N N 324 115.210 115.210 117.306 -2.096 17838 1134 1 2 . 1 1 55 55 LYS HA H 324 4.670 4.670 4.687 -0.017 17838 1135 1 2 . 1 1 55 55 LYS C C 324 174.480 174.480 174.253 0.227 17838 1136 1 2 . 1 1 55 55 LYS CA C 324 54.460 54.460 55.149 -0.689 17838 1137 1 2 . 1 1 55 55 LYS CB C 324 37.580 37.580 36.937 0.643 17838 1138 1 2 . 1 1 55 55 LYS H H 324 7.410 7.410 7.507 -0.097 17838 1139 1 2 . 1 1 56 56 LYS N N 325 122.420 122.420 120.460 1.960 17838 1140 1 2 . 1 1 56 56 LYS HA H 325 5.320 5.320 4.812 0.508 17838 1141 1 2 . 1 1 56 56 LYS C C 325 174.700 174.700 175.885 -1.185 17838 1142 1 2 . 1 1 56 56 LYS CA C 325 54.970 54.970 55.018 -0.048 17838 1143 1 2 . 1 1 56 56 LYS CB C 325 35.730 35.730 34.376 1.354 17838 1144 1 2 . 1 1 56 56 LYS H H 325 8.470 8.470 8.388 0.082 17838 1145 1 2 . 1 1 57 57 LYS N N 326 122.740 122.740 124.159 -1.419 17838 1146 1 2 . 1 1 57 57 LYS HA H 326 4.630 4.630 4.688 -0.058 17838 1147 1 2 . 1 1 57 57 LYS C C 326 174.330 174.330 174.649 -0.319 17838 1148 1 2 . 1 1 57 57 LYS CA C 326 53.560 53.560 54.818 -1.258 17838 1149 1 2 . 1 1 57 57 LYS CB C 326 37.960 37.960 36.249 1.710 17838 1150 1 2 . 1 1 57 57 LYS H H 326 8.850 8.850 8.977 -0.127 17838 1151 1 2 . 1 1 58 58 LYS N N 327 118.070 118.070 120.141 -2.071 17838 1152 1 2 . 1 1 58 58 LYS HA H 327 5.380 5.380 4.503 0.877 17838 1153 1 2 . 1 1 58 58 LYS C C 327 174.810 174.810 175.776 -0.966 17838 1154 1 2 . 1 1 58 58 LYS CA C 327 55.120 55.120 54.781 0.340 17838 1155 1 2 . 1 1 58 58 LYS CB C 327 36.900 36.900 35.452 1.448 17838 1156 1 2 . 1 1 58 58 LYS H H 327 8.310 8.310 8.414 -0.104 17838 1157 1 2 . 1 1 59 59 THR N N 328 110.590 110.590 115.099 -4.509 17838 1158 1 2 . 1 1 59 59 THR HA H 328 4.850 4.850 4.668 0.182 17838 1159 1 2 . 1 1 59 59 THR C C 328 175.550 175.550 172.670 2.880 17838 1160 1 2 . 1 1 59 59 THR CA C 328 60.950 60.950 60.803 0.147 17838 1161 1 2 . 1 1 59 59 THR CB C 328 73.290 73.290 71.380 1.910 17838 1162 1 2 . 1 1 59 59 THR H H 328 8.650 8.650 7.954 0.696 17838 1163 1 2 . 1 1 60 60 THR N N 329 109.520 109.520 121.590 -12.070 17838 1164 1 2 . 1 1 60 60 THR HA H 329 4.120 4.120 4.574 -0.454 17838 1165 1 2 . 1 1 60 60 THR C C 329 173.570 173.570 173.170 0.400 17838 1166 1 2 . 1 1 60 60 THR CA C 329 62.710 62.710 61.482 1.228 17838 1167 1 2 . 1 1 60 60 THR CB C 329 70.920 70.920 69.210 1.710 17838 1168 1 2 . 1 1 60 60 THR H H 329 9.420 9.420 8.327 1.093 17838 1169 1 2 . 1 1 61 61 ILE N N 330 119.070 119.070 123.576 -4.506 17838 1170 1 2 . 1 1 61 61 ILE HA H 330 4.230 4.230 4.031 0.199 17838 1171 1 2 . 1 1 61 61 ILE C C 330 177.050 177.050 175.235 1.815 17838 1172 1 2 . 1 1 61 61 ILE CA C 330 61.060 61.060 59.035 2.025 17838 1173 1 2 . 1 1 61 61 ILE CB C 330 40.200 40.200 39.132 1.068 17838 1174 1 2 . 1 1 61 61 ILE H H 330 8.060 8.060 8.200 -0.140 17838 1175 1 2 . 1 1 62 62 LYS N N 331 127.440 127.440 122.743 4.697 17838 1176 1 2 . 1 1 62 62 LYS HA H 331 4.620 4.620 4.432 0.188 17838 1177 1 2 . 1 1 62 62 LYS C C 331 174.080 174.080 176.152 -2.072 17838 1178 1 2 . 1 1 62 62 LYS CA C 331 52.170 52.170 55.177 -3.007 17838 1179 1 2 . 1 1 62 62 LYS CB C 331 31.610 31.610 32.394 -0.784 17838 1180 1 2 . 1 1 62 62 LYS H H 331 7.970 7.970 8.567 -0.597 17838 1181 1 2 . 1 1 63 63 LYS N N 332 118.220 118.220 122.326 -4.106 17838 1182 1 2 . 1 1 63 63 LYS HA H 332 4.630 4.630 4.325 0.305 17838 1183 1 2 . 1 1 63 63 LYS C C 332 177.270 177.270 177.169 0.101 17838 1184 1 2 . 1 1 63 63 LYS CA C 332 55.310 55.310 56.413 -1.103 17838 1185 1 2 . 1 1 63 63 LYS CB C 332 33.550 33.550 33.085 0.465 17838 1186 1 2 . 1 1 63 63 LYS H H 332 8.000 8.000 8.555 -0.555 17838 1187 1 2 . 1 1 64 64 ASN N N 333 122.920 122.920 117.971 4.949 17838 1188 1 2 . 1 1 64 64 ASN HA H 333 4.250 4.250 4.446 -0.196 17838 1189 1 2 . 1 1 64 64 ASN C C 333 173.470 173.470 173.823 -0.353 17838 1190 1 2 . 1 1 64 64 ASN CA C 333 54.030 54.030 54.489 -0.459 17838 1191 1 2 . 1 1 64 64 ASN CB C 333 37.910 37.910 37.732 0.178 17838 1192 1 2 . 1 1 64 64 ASN H H 333 9.710 9.710 9.265 0.445 17838 1193 1 2 . 1 1 65 65 THR N N 334 112.090 112.090 112.051 0.039 17838 1194 1 2 . 1 1 65 65 THR HA H 334 4.600 4.600 4.621 -0.021 17838 1195 1 2 . 1 1 65 65 THR C C 334 170.000 170.000 173.929 -3.929 17838 1196 1 2 . 1 1 65 65 THR CA C 334 60.580 60.580 60.617 -0.037 17838 1197 1 2 . 1 1 65 65 THR CB C 334 68.600 68.600 71.637 -3.037 17838 1198 1 2 . 1 1 65 65 THR H H 334 8.630 8.630 7.463 1.167 17838 1199 1 2 . 1 1 66 66 LEU N N 335 121.880 121.880 122.569 -0.689 17838 1200 1 2 . 1 1 66 66 LEU HA H 335 4.500 4.500 4.649 -0.149 17838 1201 1 2 . 1 1 66 66 LEU C C 335 173.970 173.970 176.530 -2.560 17838 1202 1 2 . 1 1 66 66 LEU CA C 335 52.790 52.790 56.322 -3.532 17838 1203 1 2 . 1 1 66 66 LEU CB C 335 40.560 40.560 42.610 -2.050 17838 1204 1 2 . 1 1 66 66 LEU H H 335 8.530 8.530 8.446 0.084 17838 1205 1 2 . 1 1 67 67 ASN N N 336 115.420 115.420 116.926 -1.506 17838 1206 1 2 . 1 1 67 67 ASN HA H 336 5.500 5.500 5.441 0.059 17838 1207 1 2 . 1 1 67 67 ASN CA C 336 51.190 51.190 50.194 0.996 17838 1208 1 2 . 1 1 67 67 ASN CB C 336 41.620 41.620 39.129 2.491 17838 1209 1 2 . 1 1 67 67 ASN H H 336 8.540 8.540 8.017 0.523 17838 1210 1 2 . 1 1 68 68 PRO HA H 337 4.170 4.170 4.417 -0.247 17838 1211 1 2 . 1 1 68 68 PRO C C 337 173.480 173.480 175.409 -1.929 17838 1212 1 2 . 1 1 68 68 PRO CA C 337 62.710 62.710 63.308 -0.598 17838 1213 1 2 . 1 1 68 68 PRO CB C 337 32.610 32.610 30.539 2.071 17838 1214 1 2 . 1 1 69 69 TYR N N 338 120.550 120.550 126.275 -5.725 17838 1215 1 2 . 1 1 69 69 TYR HA H 338 4.470 4.470 4.801 -0.331 17838 1216 1 2 . 1 1 69 69 TYR C C 338 174.390 174.390 173.812 0.578 17838 1217 1 2 . 1 1 69 69 TYR CA C 338 57.740 57.740 56.845 0.895 17838 1218 1 2 . 1 1 69 69 TYR CB C 338 40.530 40.530 41.267 -0.738 17838 1219 1 2 . 1 1 69 69 TYR H H 338 8.060 8.060 8.193 -0.133 17838 1220 1 2 . 1 1 70 70 TYR N N 339 122.140 122.140 128.257 -6.117 17838 1221 1 2 . 1 1 70 70 TYR HA H 339 4.400 4.400 4.102 0.298 17838 1222 1 2 . 1 1 70 70 TYR C C 339 175.190 175.190 173.936 1.254 17838 1223 1 2 . 1 1 70 70 TYR CA C 339 59.040 59.040 58.469 0.571 17838 1224 1 2 . 1 1 70 70 TYR CB C 339 40.290 40.290 41.709 -1.419 17838 1225 1 2 . 1 1 70 70 TYR H H 339 8.080 8.080 8.049 0.031 17838 1226 1 2 . 1 1 71 71 ASN N N 340 120.260 120.260 119.394 0.866 17838 1227 1 2 . 1 1 71 71 ASN HA H 340 4.080 4.080 4.594 -0.514 17838 1228 1 2 . 1 1 71 71 ASN C C 340 173.510 173.510 173.914 -0.404 17838 1229 1 2 . 1 1 71 71 ASN CA C 340 53.960 53.960 54.091 -0.131 17838 1230 1 2 . 1 1 71 71 ASN CB C 340 37.450 37.450 37.624 -0.174 17838 1231 1 2 . 1 1 71 71 ASN H H 340 8.130 8.130 7.949 0.181 17838 1232 1 2 . 1 1 72 72 GLU N N 341 117.370 117.370 122.096 -4.726 17838 1233 1 2 . 1 1 72 72 GLU HA H 341 4.300 4.300 4.479 -0.179 17838 1234 1 2 . 1 1 72 72 GLU C C 341 173.000 173.000 174.494 -1.494 17838 1235 1 2 . 1 1 72 72 GLU CA C 341 55.470 55.470 54.384 1.086 17838 1236 1 2 . 1 1 72 72 GLU CB C 341 33.320 33.320 33.350 -0.030 17838 1237 1 2 . 1 1 72 72 GLU H H 341 7.530 7.530 7.960 -0.430 17838 1238 1 2 . 1 1 73 73 SER N N 342 117.330 117.330 117.067 0.263 17838 1239 1 2 . 1 1 73 73 SER HA H 342 4.740 4.740 4.731 0.009 17838 1240 1 2 . 1 1 73 73 SER C C 342 172.930 172.930 173.464 -0.534 17838 1241 1 2 . 1 1 73 73 SER CA C 342 56.810 56.810 57.823 -1.013 17838 1242 1 2 . 1 1 73 73 SER CB C 342 64.720 64.720 63.373 1.347 17838 1243 1 2 . 1 1 73 73 SER H H 342 8.010 8.010 8.311 -0.301 17838 1244 1 2 . 1 1 74 74 PHE N N 343 123.520 123.520 127.248 -3.728 17838 1245 1 2 . 1 1 74 74 PHE HA H 343 4.480 4.480 4.768 -0.288 17838 1246 1 2 . 1 1 74 74 PHE C C 343 173.480 173.480 175.097 -1.617 17838 1247 1 2 . 1 1 74 74 PHE CA C 343 57.280 57.280 56.700 0.579 17838 1248 1 2 . 1 1 74 74 PHE CB C 343 43.130 43.130 38.647 4.484 17838 1249 1 2 . 1 1 74 74 PHE H H 343 8.780 8.780 8.982 -0.202 17838 1250 1 2 . 1 1 75 75 SER N N 344 116.700 116.700 120.223 -3.523 17838 1251 1 2 . 1 1 75 75 SER HA H 344 5.480 5.480 5.495 -0.015 17838 1252 1 2 . 1 1 75 75 SER C C 344 172.170 172.170 173.415 -1.245 17838 1253 1 2 . 1 1 75 75 SER CA C 344 57.210 57.210 57.411 -0.201 17838 1254 1 2 . 1 1 75 75 SER CB C 344 66.140 66.140 64.551 1.589 17838 1255 1 2 . 1 1 75 75 SER H H 344 8.430 8.430 8.698 -0.268 17838 1256 1 2 . 1 1 76 76 PHE N N 345 119.990 119.990 122.206 -2.216 17838 1257 1 2 . 1 1 76 76 PHE HA H 345 4.800 4.800 4.798 0.002 17838 1258 1 2 . 1 1 76 76 PHE C C 345 173.440 173.440 173.575 -0.135 17838 1259 1 2 . 1 1 76 76 PHE CA C 345 56.080 56.080 56.135 -0.055 17838 1260 1 2 . 1 1 76 76 PHE CB C 345 43.520 43.520 42.157 1.363 17838 1261 1 2 . 1 1 76 76 PHE H H 345 9.440 9.440 8.709 0.731 17838 1262 1 2 . 1 1 77 77 GLU N N 346 124.120 124.120 128.712 -4.592 17838 1263 1 2 . 1 1 77 77 GLU HA H 346 4.890 4.890 4.281 0.609 17838 1264 1 2 . 1 1 77 77 GLU C C 346 175.510 175.510 175.069 0.441 17838 1265 1 2 . 1 1 77 77 GLU CA C 346 55.880 55.880 55.983 -0.103 17838 1266 1 2 . 1 1 77 77 GLU CB C 346 29.220 29.220 27.987 1.233 17838 1267 1 2 . 1 1 77 77 GLU H H 346 9.000 9.000 8.997 0.003 17838 1268 1 2 . 1 1 78 78 VAL N N 347 125.140 125.140 119.064 6.076 17838 1269 1 2 . 1 1 78 78 VAL HA H 347 4.390 4.390 4.365 0.025 17838 1270 1 2 . 1 1 78 78 VAL CA C 347 59.350 59.350 57.837 1.513 17838 1271 1 2 . 1 1 78 78 VAL CB C 347 35.710 35.710 34.448 1.262 17838 1272 1 2 . 1 1 78 78 VAL H H 347 8.470 8.470 7.644 0.826 17838 1273 1 2 . 1 1 79 79 PRO HA H 348 4.550 4.550 4.405 0.145 17838 1274 1 2 . 1 1 79 79 PRO C C 348 177.330 177.330 178.037 -0.707 17838 1275 1 2 . 1 1 79 79 PRO CA C 348 62.850 62.850 62.540 0.310 17838 1276 1 2 . 1 1 79 79 PRO CB C 348 32.870 32.870 31.915 0.955 17838 1277 1 2 . 1 1 80 80 PHE N N 349 125.590 125.590 118.664 6.926 17838 1278 1 2 . 1 1 80 80 PHE HA H 349 4.610 4.610 3.892 0.718 17838 1279 1 2 . 1 1 80 80 PHE C C 349 177.630 177.630 176.985 0.645 17838 1280 1 2 . 1 1 80 80 PHE CA C 349 61.050 61.050 60.070 0.980 17838 1281 1 2 . 1 1 80 80 PHE CB C 349 38.960 38.960 37.215 1.745 17838 1282 1 2 . 1 1 80 80 PHE H H 349 9.250 9.250 7.667 1.583 17838 1283 1 2 . 1 1 81 81 GLU N N 350 116.260 116.260 118.787 -2.527 17838 1284 1 2 . 1 1 81 81 GLU HA H 350 3.870 3.870 4.168 -0.298 17838 1285 1 2 . 1 1 81 81 GLU C C 350 176.960 176.960 177.667 -0.707 17838 1286 1 2 . 1 1 81 81 GLU CA C 350 58.870 58.870 58.077 0.793 17838 1287 1 2 . 1 1 81 81 GLU CB C 350 28.590 28.590 28.350 0.240 17838 1288 1 2 . 1 1 81 81 GLU H H 350 9.120 9.120 8.373 0.747 17838 1289 1 2 . 1 1 82 82 GLN N N 351 116.390 116.390 118.786 -2.396 17838 1290 1 2 . 1 1 82 82 GLN HA H 351 4.300 4.300 4.294 0.006 17838 1291 1 2 . 1 1 82 82 GLN C C 351 177.670 177.670 177.417 0.253 17838 1292 1 2 . 1 1 82 82 GLN CA C 351 55.020 55.020 56.056 -1.036 17838 1293 1 2 . 1 1 82 82 GLN CB C 351 30.360 30.360 29.147 1.213 17838 1294 1 2 . 1 1 82 82 GLN H H 351 8.080 8.080 7.802 0.278 17838 1295 1 2 . 1 1 83 83 ILE N N 352 120.350 120.350 121.136 -0.786 17838 1296 1 2 . 1 1 83 83 ILE HA H 352 3.900 3.900 3.868 0.032 17838 1297 1 2 . 1 1 83 83 ILE C C 352 174.820 174.820 175.888 -1.068 17838 1298 1 2 . 1 1 83 83 ILE CA C 352 60.850 60.850 64.205 -3.355 17838 1299 1 2 . 1 1 83 83 ILE CB C 352 38.610 38.610 38.287 0.323 17838 1300 1 2 . 1 1 83 83 ILE H H 352 7.110 7.110 7.305 -0.195 17838 1301 1 2 . 1 1 84 84 GLN N N 353 116.230 116.230 115.172 1.058 17838 1302 1 2 . 1 1 84 84 GLN HA H 353 4.290 4.290 4.458 -0.168 17838 1303 1 2 . 1 1 84 84 GLN C C 353 176.520 176.520 175.709 0.811 17838 1304 1 2 . 1 1 84 84 GLN CA C 353 57.040 57.040 55.677 1.363 17838 1305 1 2 . 1 1 84 84 GLN CB C 353 27.700 27.700 27.999 -0.299 17838 1306 1 2 . 1 1 84 84 GLN H H 353 8.110 8.110 8.203 -0.093 17838 1307 1 2 . 1 1 85 85 LYS N N 354 114.900 114.900 116.593 -1.693 17838 1308 1 2 . 1 1 85 85 LYS HA H 354 4.010 4.010 4.282 -0.272 17838 1309 1 2 . 1 1 85 85 LYS C C 354 175.920 175.920 175.490 0.430 17838 1310 1 2 . 1 1 85 85 LYS CA C 354 55.090 55.090 55.523 -0.433 17838 1311 1 2 . 1 1 85 85 LYS CB C 354 33.610 33.610 33.218 0.392 17838 1312 1 2 . 1 1 85 85 LYS H H 354 7.750 7.750 7.705 0.045 17838 1313 1 2 . 1 1 86 86 VAL N N 355 112.960 112.960 114.121 -1.161 17838 1314 1 2 . 1 1 86 86 VAL HA H 355 4.810 4.810 4.642 0.168 17838 1315 1 2 . 1 1 86 86 VAL C C 355 174.780 174.780 173.826 0.954 17838 1316 1 2 . 1 1 86 86 VAL CA C 355 60.450 60.450 59.695 0.755 17838 1317 1 2 . 1 1 86 86 VAL CB C 355 34.320 34.320 35.321 -1.001 17838 1318 1 2 . 1 1 86 86 VAL H H 355 6.900 6.900 7.273 -0.373 17838 1319 1 2 . 1 1 87 87 GLN N N 356 118.230 118.230 122.129 -3.899 17838 1320 1 2 . 1 1 87 87 GLN HA H 356 4.370 4.370 4.893 -0.523 17838 1321 1 2 . 1 1 87 87 GLN C C 356 174.390 174.390 174.153 0.237 17838 1322 1 2 . 1 1 87 87 GLN CA C 356 54.410 54.410 54.764 -0.354 17838 1323 1 2 . 1 1 87 87 GLN CB C 356 30.820 30.820 31.471 -0.651 17838 1324 1 2 . 1 1 87 87 GLN H H 356 8.560 8.560 8.281 0.279 17838 1325 1 2 . 1 1 88 88 VAL N N 357 122.080 122.080 127.077 -4.997 17838 1326 1 2 . 1 1 88 88 VAL HA H 357 4.580 4.580 4.668 -0.088 17838 1327 1 2 . 1 1 88 88 VAL C C 357 173.860 173.860 173.688 0.172 17838 1328 1 2 . 1 1 88 88 VAL CA C 357 61.190 61.190 60.454 0.736 17838 1329 1 2 . 1 1 88 88 VAL CB C 357 31.950 31.950 34.153 -2.203 17838 1330 1 2 . 1 1 88 88 VAL H H 357 8.300 8.300 9.136 -0.836 17838 1331 1 2 . 1 1 89 89 VAL N N 358 127.800 127.800 126.759 1.041 17838 1332 1 2 . 1 1 89 89 VAL HA H 358 4.270 4.270 5.184 -0.914 17838 1333 1 2 . 1 1 89 89 VAL C C 358 174.840 174.840 174.189 0.651 17838 1334 1 2 . 1 1 89 89 VAL CA C 358 61.240 61.240 59.462 1.778 17838 1335 1 2 . 1 1 89 89 VAL CB C 358 33.020 33.020 35.417 -2.397 17838 1336 1 2 . 1 1 89 89 VAL H H 358 9.010 9.010 9.190 -0.180 17838 1337 1 2 . 1 1 90 90 VAL N N 359 129.800 129.800 130.426 -0.626 17838 1338 1 2 . 1 1 90 90 VAL HA H 359 4.490 4.490 4.085 0.405 17838 1339 1 2 . 1 1 90 90 VAL C C 359 173.580 173.580 175.042 -1.462 17838 1340 1 2 . 1 1 90 90 VAL CA C 359 61.480 61.480 61.684 -0.204 17838 1341 1 2 . 1 1 90 90 VAL CB C 359 33.530 33.530 31.372 2.158 17838 1342 1 2 . 1 1 90 90 VAL H H 359 9.120 9.120 8.190 0.930 17838 1343 1 2 . 1 1 91 91 THR N N 360 122.290 122.290 124.854 -2.564 17838 1344 1 2 . 1 1 91 91 THR HA H 360 4.770 4.770 4.551 0.219 17838 1345 1 2 . 1 1 91 91 THR C C 360 173.010 173.010 173.682 -0.672 17838 1346 1 2 . 1 1 91 91 THR CA C 360 61.360 61.360 62.259 -0.899 17838 1347 1 2 . 1 1 91 91 THR CB C 360 70.860 70.860 69.242 1.618 17838 1348 1 2 . 1 1 91 91 THR H H 360 8.750 8.750 8.813 -0.063 17838 1349 1 2 . 1 1 92 92 VAL N N 361 125.180 125.180 128.507 -3.327 17838 1350 1 2 . 1 1 92 92 VAL HA H 361 4.670 4.670 4.043 0.627 17838 1351 1 2 . 1 1 92 92 VAL C C 361 174.220 174.220 174.382 -0.162 17838 1352 1 2 . 1 1 92 92 VAL CA C 361 61.000 61.000 62.429 -1.429 17838 1353 1 2 . 1 1 92 92 VAL CB C 361 31.960 31.960 32.302 -0.342 17838 1354 1 2 . 1 1 92 92 VAL H H 361 8.580 8.580 8.568 0.012 17838 1355 1 2 . 1 1 93 93 LEU N N 362 127.950 127.950 127.957 -0.007 17838 1356 1 2 . 1 1 93 93 LEU HA H 362 4.750 4.750 4.720 0.030 17838 1357 1 2 . 1 1 93 93 LEU C C 362 173.470 173.470 174.192 -0.722 17838 1358 1 2 . 1 1 93 93 LEU CA C 362 55.470 55.470 53.290 2.180 17838 1359 1 2 . 1 1 93 93 LEU CB C 362 44.440 44.440 47.361 -2.921 17838 1360 1 2 . 1 1 93 93 LEU H H 362 8.860 8.860 8.964 -0.104 17838 1361 1 2 . 1 1 94 94 ASP N N 363 116.580 116.580 117.788 -1.208 17838 1362 1 2 . 1 1 94 94 ASP HA H 363 4.810 4.810 5.203 -0.393 17838 1363 1 2 . 1 1 94 94 ASP C C 363 175.870 175.870 174.270 1.600 17838 1364 1 2 . 1 1 94 94 ASP CA C 363 52.020 52.020 52.788 -0.768 17838 1365 1 2 . 1 1 94 94 ASP CB C 363 44.160 44.160 44.302 -0.142 17838 1366 1 2 . 1 1 94 94 ASP H H 363 8.380 8.380 8.016 0.364 17838 1367 1 2 . 1 1 95 95 TYR N N 364 127.590 127.590 120.784 6.806 17838 1368 1 2 . 1 1 95 95 TYR HA H 364 4.310 4.310 4.670 -0.360 17838 1369 1 2 . 1 1 95 95 TYR C C 364 175.260 175.260 174.779 0.481 17838 1370 1 2 . 1 1 95 95 TYR CA C 364 59.750 59.750 55.858 3.892 17838 1371 1 2 . 1 1 95 95 TYR CB C 364 39.300 39.300 38.583 0.717 17838 1372 1 2 . 1 1 95 95 TYR H H 364 9.380 9.380 8.418 0.962 17838 1373 1 2 . 1 1 96 96 ASP N N 365 131.500 131.500 122.669 8.831 17838 1374 1 2 . 1 1 96 96 ASP HA H 365 4.590 4.590 4.372 0.218 17838 1375 1 2 . 1 1 96 96 ASP C C 365 172.480 172.480 175.929 -3.449 17838 1376 1 2 . 1 1 96 96 ASP CA C 365 52.630 52.630 55.582 -2.952 17838 1377 1 2 . 1 1 96 96 ASP CB C 365 41.910 41.910 40.974 0.936 17838 1378 1 2 . 1 1 96 96 ASP H H 365 7.800 7.800 8.507 -0.707 17838 1379 1 2 . 1 1 97 97 LYS N N 366 120.720 120.720 124.896 -4.176 17838 1380 1 2 . 1 1 97 97 LYS HA H 366 3.840 3.840 3.929 -0.089 17838 1381 1 2 . 1 1 97 97 LYS C C 366 176.440 176.440 175.896 0.544 17838 1382 1 2 . 1 1 97 97 LYS CA C 366 58.400 58.400 57.360 1.040 17838 1383 1 2 . 1 1 97 97 LYS CB C 366 33.030 33.030 30.966 2.064 17838 1384 1 2 . 1 1 97 97 LYS H H 366 8.030 8.030 8.830 -0.800 17838 1385 1 2 . 1 1 98 98 ILE N N 367 117.460 117.460 115.006 2.454 17838 1386 1 2 . 1 1 98 98 ILE HA H 367 4.080 4.080 3.766 0.314 17838 1387 1 2 . 1 1 98 98 ILE C C 367 176.200 176.200 175.965 0.235 17838 1388 1 2 . 1 1 98 98 ILE CA C 367 60.910 60.910 62.383 -1.473 17838 1389 1 2 . 1 1 98 98 ILE CB C 367 38.440 38.440 35.625 2.815 17838 1390 1 2 . 1 1 98 98 ILE H H 367 7.790 7.790 8.423 -0.633 17838 1391 1 2 . 1 1 99 99 GLY N N 368 113.730 113.730 109.233 4.497 17838 1392 1 2 . 1 1 99 99 GLY C C 368 173.460 173.460 172.966 0.494 17838 1393 1 2 . 1 1 99 99 GLY CA C 368 44.190 44.190 45.315 -1.125 17838 1394 1 2 . 1 1 99 99 GLY H H 368 8.160 8.160 7.563 0.597 17838 1395 1 2 . 1 1 100 100 LYS N N 369 119.980 119.980 121.807 -1.827 17838 1396 1 2 . 1 1 100 100 LYS HA H 369 4.260 4.260 4.634 -0.374 17838 1397 1 2 . 1 1 100 100 LYS C C 369 175.270 175.270 174.432 0.838 17838 1398 1 2 . 1 1 100 100 LYS CA C 369 56.030 56.030 55.794 0.236 17838 1399 1 2 . 1 1 100 100 LYS CB C 369 33.090 33.090 34.758 -1.668 17838 1400 1 2 . 1 1 100 100 LYS H H 369 8.020 8.020 8.269 -0.249 17838 1401 1 2 . 1 1 101 101 ASN N N 370 124.530 124.530 124.055 0.475 17838 1402 1 2 . 1 1 101 101 ASN HA H 370 5.040 5.040 5.026 0.014 17838 1403 1 2 . 1 1 101 101 ASN CA C 370 52.230 52.230 51.784 0.446 17838 1404 1 2 . 1 1 101 101 ASN CB C 370 38.490 38.490 42.120 -3.630 17838 1405 1 2 . 1 1 101 101 ASN H H 370 8.730 8.730 8.704 0.026 17838 1406 1 2 . 1 1 102 102 ASP N N 371 123.520 123.520 118.904 4.616 17838 1407 1 2 . 1 1 102 102 ASP HA H 371 4.590 4.590 4.636 -0.046 17838 1408 1 2 . 1 1 102 102 ASP CA C 371 53.980 53.980 53.287 0.693 17838 1409 1 2 . 1 1 102 102 ASP CB C 371 42.940 42.940 43.490 -0.550 17838 1410 1 2 . 1 1 102 102 ASP H H 371 8.550 8.550 8.281 0.269 17838 1411 1 2 . 1 1 103 103 ALA N N 372 124.120 124.120 121.891 2.229 17838 1412 1 2 . 1 1 103 103 ALA HA H 372 4.210 4.210 4.146 0.064 17838 1413 1 2 . 1 1 103 103 ALA C C 372 177.140 177.140 176.984 0.156 17838 1414 1 2 . 1 1 103 103 ALA CA C 372 52.910 52.910 53.166 -0.256 17838 1415 1 2 . 1 1 103 103 ALA CB C 372 17.740 17.740 17.602 0.138 17838 1416 1 2 . 1 1 103 103 ALA H H 372 8.870 8.870 8.515 0.355 17838 1417 1 2 . 1 1 104 104 ILE N N 373 123.110 123.110 117.314 5.796 17838 1418 1 2 . 1 1 104 104 ILE HA H 373 3.850 3.850 4.258 -0.408 17838 1419 1 2 . 1 1 104 104 ILE C C 373 176.450 176.450 176.430 0.020 17838 1420 1 2 . 1 1 104 104 ILE CA C 373 64.670 64.670 60.869 3.801 17838 1421 1 2 . 1 1 104 104 ILE CB C 373 38.900 38.900 39.317 -0.417 17838 1422 1 2 . 1 1 104 104 ILE H H 373 9.490 9.490 8.022 1.468 17838 1423 1 2 . 1 1 105 105 GLY N N 374 99.210 99.210 106.534 -7.324 17838 1424 1 2 . 1 1 105 105 GLY C C 374 170.160 170.160 171.658 -1.498 17838 1425 1 2 . 1 1 105 105 GLY CA C 374 46.130 46.130 45.547 0.583 17838 1426 1 2 . 1 1 105 105 GLY H H 374 7.310 7.310 7.520 -0.210 17838 1427 1 2 . 1 1 106 106 LYS N N 375 119.580 119.580 121.111 -1.531 17838 1428 1 2 . 1 1 106 106 LYS HA H 375 5.520 5.520 5.582 -0.062 17838 1429 1 2 . 1 1 106 106 LYS C C 375 173.600 173.600 174.563 -0.963 17838 1430 1 2 . 1 1 106 106 LYS CA C 375 55.130 55.130 54.949 0.181 17838 1431 1 2 . 1 1 106 106 LYS CB C 375 39.040 39.040 37.422 1.618 17838 1432 1 2 . 1 1 106 106 LYS H H 375 9.600 9.600 8.880 0.720 17838 1433 1 2 . 1 1 107 107 VAL N N 376 116.620 116.620 121.040 -4.420 17838 1434 1 2 . 1 1 107 107 VAL HA H 376 4.670 4.670 3.960 0.710 17838 1435 1 2 . 1 1 107 107 VAL C C 376 172.040 172.040 173.105 -1.065 17838 1436 1 2 . 1 1 107 107 VAL CA C 376 60.670 60.670 59.520 1.150 17838 1437 1 2 . 1 1 107 107 VAL CB C 376 35.220 35.220 35.748 -0.528 17838 1438 1 2 . 1 1 107 107 VAL H H 376 8.910 8.910 7.926 0.984 17838 1439 1 2 . 1 1 108 108 PHE N N 377 120.920 120.920 123.184 -2.264 17838 1440 1 2 . 1 1 108 108 PHE HA H 377 5.690 5.690 5.315 0.375 17838 1441 1 2 . 1 1 108 108 PHE CA C 377 55.460 55.460 54.857 0.603 17838 1442 1 2 . 1 1 108 108 PHE CB C 377 44.420 44.420 40.145 4.275 17838 1443 1 2 . 1 1 108 108 PHE H H 377 8.560 8.560 7.565 0.995 17838 1444 1 2 . 1 1 109 109 VAL N N 378 108.500 108.500 116.379 -7.879 17838 1445 1 2 . 1 1 109 109 VAL HA H 378 4.150 4.150 4.643 -0.493 17838 1446 1 2 . 1 1 109 109 VAL CA C 378 58.140 58.140 59.274 -1.134 17838 1447 1 2 . 1 1 109 109 VAL CB C 378 33.750 33.750 34.710 -0.960 17838 1448 1 2 . 1 1 109 109 VAL H H 378 8.320 8.320 8.711 -0.391 17838 1449 1 2 . 1 1 110 110 GLY CA C 379 41.340 41.340 44.641 -3.301 17838 1450 1 2 . 1 1 111 111 TYR HA H 380 4.010 4.010 4.168 -0.158 17838 1451 1 2 . 1 1 111 111 TYR CA C 380 59.880 59.880 60.521 -0.641 17838 1452 1 2 . 1 1 111 111 TYR CB C 380 37.860 37.860 38.890 -1.030 17838 1453 1 2 . 1 1 112 112 ASN HA H 381 4.250 4.250 4.361 -0.111 17838 1454 1 2 . 1 1 112 112 ASN CA C 381 54.170 54.170 52.441 1.729 17838 1455 1 2 . 1 1 112 112 ASN CB C 381 37.810 37.810 36.422 1.388 17838 1456 1 2 . 1 1 113 113 SER HA H 382 4.140 4.140 4.661 -0.521 17838 1457 1 2 . 1 1 113 113 SER C C 382 172.760 172.760 174.385 -1.625 17838 1458 1 2 . 1 1 113 113 SER CA C 382 58.610 58.610 56.750 1.860 17838 1459 1 2 . 1 1 113 113 SER CB C 382 64.620 64.620 65.595 -0.975 17838 1460 1 2 . 1 1 114 114 THR N N 383 106.230 106.230 117.434 -11.204 17838 1461 1 2 . 1 1 114 114 THR HA H 383 4.730 4.730 4.454 0.276 17838 1462 1 2 . 1 1 114 114 THR C C 383 176.030 176.030 176.029 0.001 17838 1463 1 2 . 1 1 114 114 THR CA C 383 60.120 60.120 62.345 -2.225 17838 1464 1 2 . 1 1 114 114 THR CB C 383 72.950 72.950 69.704 3.246 17838 1465 1 2 . 1 1 114 114 THR H H 383 7.710 7.710 8.262 -0.552 17838 1466 1 2 . 1 1 115 115 GLY N N 384 108.400 108.400 107.422 0.978 17838 1467 1 2 . 1 1 115 115 GLY C C 384 175.920 175.920 173.853 2.067 17838 1468 1 2 . 1 1 115 115 GLY CA C 384 47.150 47.150 46.364 0.786 17838 1469 1 2 . 1 1 115 115 GLY H H 384 8.840 8.840 8.740 0.100 17838 1470 1 2 . 1 1 116 116 ALA N N 385 129.610 129.610 121.612 7.998 17838 1471 1 2 . 1 1 116 116 ALA HA H 385 4.110 4.110 4.492 -0.382 17838 1472 1 2 . 1 1 116 116 ALA C C 385 179.670 179.670 179.224 0.446 17838 1473 1 2 . 1 1 116 116 ALA CA C 385 54.310 54.310 52.899 1.411 17838 1474 1 2 . 1 1 116 116 ALA CB C 385 18.100 18.100 19.629 -1.529 17838 1475 1 2 . 1 1 116 116 ALA H H 385 9.310 9.310 7.928 1.382 17838 1476 1 2 . 1 1 117 117 GLU N N 386 121.720 121.720 120.755 0.965 17838 1477 1 2 . 1 1 117 117 GLU HA H 386 4.110 4.110 4.183 -0.073 17838 1478 1 2 . 1 1 117 117 GLU C C 386 175.960 175.960 179.114 -3.154 17838 1479 1 2 . 1 1 117 117 GLU CA C 386 62.450 62.450 59.545 2.905 17838 1480 1 2 . 1 1 117 117 GLU CB C 386 29.830 29.830 29.037 0.793 17838 1481 1 2 . 1 1 117 117 GLU H H 386 8.140 8.140 8.402 -0.262 17838 1482 1 2 . 1 1 118 118 LEU N N 387 122.820 122.820 121.557 1.263 17838 1483 1 2 . 1 1 118 118 LEU HA H 387 4.140 4.140 4.263 -0.123 17838 1484 1 2 . 1 1 118 118 LEU C C 387 179.580 179.580 178.608 0.972 17838 1485 1 2 . 1 1 118 118 LEU CA C 387 56.900 56.900 58.121 -1.221 17838 1486 1 2 . 1 1 118 118 LEU CB C 387 40.270 40.270 41.736 -1.466 17838 1487 1 2 . 1 1 118 118 LEU H H 387 6.570 6.570 7.871 -1.301 17838 1488 1 2 . 1 1 119 119 ARG N N 388 119.950 119.950 119.071 0.879 17838 1489 1 2 . 1 1 119 119 ARG HA H 388 4.090 4.090 4.020 0.070 17838 1490 1 2 . 1 1 119 119 ARG C C 388 177.240 177.240 178.020 -0.780 17838 1491 1 2 . 1 1 119 119 ARG CA C 388 59.220 59.220 59.532 -0.312 17838 1492 1 2 . 1 1 119 119 ARG CB C 388 29.990 29.990 30.004 -0.014 17838 1493 1 2 . 1 1 119 119 ARG H H 388 8.120 8.120 7.851 0.269 17838 1494 1 2 . 1 1 120 120 HIS N N 389 118.040 118.040 118.534 -0.494 17838 1495 1 2 . 1 1 120 120 HIS HA H 389 4.560 4.560 4.743 -0.183 17838 1496 1 2 . 1 1 120 120 HIS CA C 389 57.520 57.520 57.868 -0.348 17838 1497 1 2 . 1 1 120 120 HIS CB C 389 32.980 32.980 30.049 2.931 17838 1498 1 2 . 1 1 120 120 HIS H H 389 7.510 7.510 8.132 -0.622 17838 1499 1 2 . 1 1 121 121 TRP N N 390 118.700 118.700 121.047 -2.347 17838 1500 1 2 . 1 1 121 121 TRP HA H 390 4.010 4.010 4.402 -0.392 17838 1501 1 2 . 1 1 121 121 TRP C C 390 176.900 176.900 177.842 -0.942 17838 1502 1 2 . 1 1 121 121 TRP CA C 390 60.240 60.240 60.583 -0.343 17838 1503 1 2 . 1 1 121 121 TRP CB C 390 30.800 30.800 29.674 1.126 17838 1504 1 2 . 1 1 121 121 TRP H H 390 7.650 7.650 8.775 -1.125 17838 1505 1 2 . 1 1 122 122 SER N N 391 113.110 113.110 112.010 1.100 17838 1506 1 2 . 1 1 122 122 SER HA H 391 4.010 4.010 4.538 -0.528 17838 1507 1 2 . 1 1 122 122 SER C C 391 177.460 177.460 173.770 3.690 17838 1508 1 2 . 1 1 122 122 SER CA C 391 61.970 61.970 58.915 3.055 17838 1509 1 2 . 1 1 122 122 SER CB C 391 62.490 62.490 62.490 0.000 17838 1510 1 2 . 1 1 122 122 SER H H 391 9.060 9.060 8.319 0.741 17838 1511 1 2 . 1 1 123 123 ASP N N 392 123.980 123.980 120.274 3.706 17838 1512 1 2 . 1 1 123 123 ASP HA H 392 4.380 4.380 4.707 -0.327 17838 1513 1 2 . 1 1 123 123 ASP C C 392 178.830 178.830 176.503 2.327 17838 1514 1 2 . 1 1 123 123 ASP CA C 392 57.570 57.570 55.107 2.463 17838 1515 1 2 . 1 1 123 123 ASP CB C 392 40.040 40.040 41.737 -1.697 17838 1516 1 2 . 1 1 123 123 ASP H H 392 8.870 8.870 7.393 1.477 17838 1517 1 2 . 1 1 124 124 MET N N 393 121.910 121.910 118.695 3.215 17838 1518 1 2 . 1 1 124 124 MET HA H 393 3.970 3.970 4.582 -0.612 17838 1519 1 2 . 1 1 124 124 MET C C 393 179.000 179.000 177.486 1.514 17838 1520 1 2 . 1 1 124 124 MET CA C 393 59.350 59.350 56.590 2.760 17838 1521 1 2 . 1 1 124 124 MET CB C 393 32.590 32.590 34.437 -1.847 17838 1522 1 2 . 1 1 124 124 MET H H 393 7.960 7.960 8.369 -0.409 17838 1523 1 2 . 1 1 125 125 LEU N N 394 118.500 118.500 116.107 2.393 17838 1524 1 2 . 1 1 125 125 LEU HA H 394 3.890 3.890 4.753 -0.863 17838 1525 1 2 . 1 1 125 125 LEU C C 394 178.170 178.170 177.537 0.633 17838 1526 1 2 . 1 1 125 125 LEU CA C 394 56.880 56.880 54.932 1.948 17838 1527 1 2 . 1 1 125 125 LEU CB C 394 41.730 41.730 41.092 0.638 17838 1528 1 2 . 1 1 125 125 LEU H H 394 7.610 7.610 7.360 0.250 17838 1529 1 2 . 1 1 126 126 ALA N N 395 118.600 118.600 120.428 -1.828 17838 1530 1 2 . 1 1 126 126 ALA HA H 395 4.220 4.220 3.965 0.255 17838 1531 1 2 . 1 1 126 126 ALA C C 395 176.770 176.770 176.635 0.135 17838 1532 1 2 . 1 1 126 126 ALA CA C 395 52.850 52.850 53.901 -1.051 17838 1533 1 2 . 1 1 126 126 ALA CB C 395 19.460 19.460 18.857 0.603 17838 1534 1 2 . 1 1 126 126 ALA H H 395 7.850 7.850 7.844 0.006 17838 1535 1 2 . 1 1 127 127 ASN N N 396 115.840 115.840 114.206 1.634 17838 1536 1 2 . 1 1 127 127 ASN HA H 396 5.100 5.100 4.770 0.330 17838 1537 1 2 . 1 1 127 127 ASN CA C 396 51.110 51.110 53.076 -1.966 17838 1538 1 2 . 1 1 127 127 ASN CB C 396 40.740 40.740 38.779 1.961 17838 1539 1 2 . 1 1 127 127 ASN H H 396 7.150 7.150 7.731 -0.581 17838 1540 1 2 . 1 1 128 128 PRO HA H 397 4.750 4.750 4.454 0.296 17838 1541 1 2 . 1 1 128 128 PRO C C 397 177.390 177.390 176.454 0.936 17838 1542 1 2 . 1 1 128 128 PRO CA C 397 63.910 63.910 63.364 0.546 17838 1543 1 2 . 1 1 128 128 PRO CB C 397 32.250 32.250 32.224 0.026 17838 1544 1 2 . 1 1 129 129 ARG N N 398 111.560 111.560 118.385 -6.825 17838 1545 1 2 . 1 1 129 129 ARG HA H 398 3.530 3.530 4.687 -1.157 17838 1546 1 2 . 1 1 129 129 ARG C C 398 174.880 174.880 175.510 -0.630 17838 1547 1 2 . 1 1 129 129 ARG CA C 398 58.750 58.750 55.233 3.517 17838 1548 1 2 . 1 1 129 129 ARG CB C 398 29.040 29.040 30.429 -1.389 17838 1549 1 2 . 1 1 129 129 ARG H H 398 8.300 8.300 8.518 -0.218 17838 1550 1 2 . 1 1 130 130 ARG N N 399 120.840 120.840 121.754 -0.914 17838 1551 1 2 . 1 1 130 130 ARG HA H 399 4.800 4.800 4.474 0.326 17838 1552 1 2 . 1 1 130 130 ARG CA C 399 53.050 53.050 52.877 0.173 17838 1553 1 2 . 1 1 130 130 ARG CB C 399 31.420 31.420 29.677 1.743 17838 1554 1 2 . 1 1 130 130 ARG H H 399 7.980 7.980 8.207 -0.227 17838 1555 1 2 . 1 1 131 131 PRO HA H 400 4.810 4.810 4.523 0.287 17838 1556 1 2 . 1 1 131 131 PRO C C 400 176.610 176.610 175.426 1.184 17838 1557 1 2 . 1 1 131 131 PRO CA C 400 61.490 61.490 62.342 -0.852 17838 1558 1 2 . 1 1 131 131 PRO CB C 400 43.560 43.560 31.514 12.046 17838 1559 1 2 . 1 1 132 132 ILE N N 401 123.900 123.900 125.701 -1.801 17838 1560 1 2 . 1 1 132 132 ILE HA H 401 4.530 4.530 4.262 0.268 17838 1561 1 2 . 1 1 132 132 ILE C C 401 176.480 176.480 174.907 1.573 17838 1562 1 2 . 1 1 132 132 ILE CA C 401 58.360 58.360 59.287 -0.927 17838 1563 1 2 . 1 1 132 132 ILE CB C 401 39.250 39.250 38.708 0.542 17838 1564 1 2 . 1 1 132 132 ILE H H 401 9.000 9.000 7.650 1.350 17838 1565 1 2 . 1 1 133 133 ALA N N 402 137.830 137.830 130.380 7.450 17838 1566 1 2 . 1 1 133 133 ALA HA H 402 4.920 4.920 5.047 -0.127 17838 1567 1 2 . 1 1 133 133 ALA C C 402 175.260 175.260 176.450 -1.190 17838 1568 1 2 . 1 1 133 133 ALA CA C 402 51.090 51.090 51.056 0.034 17838 1569 1 2 . 1 1 133 133 ALA CB C 402 20.360 20.360 20.442 -0.082 17838 1570 1 2 . 1 1 133 133 ALA H H 402 9.560 9.560 8.632 0.928 17838 1571 1 2 . 1 1 134 134 GLN N N 403 119.730 119.730 121.869 -2.139 17838 1572 1 2 . 1 1 134 134 GLN HA H 403 4.020 4.020 4.429 -0.409 17838 1573 1 2 . 1 1 134 134 GLN C C 403 173.700 173.700 174.753 -1.053 17838 1574 1 2 . 1 1 134 134 GLN CA C 403 55.050 55.050 54.310 0.739 17838 1575 1 2 . 1 1 134 134 GLN CB C 403 32.660 32.660 32.254 0.406 17838 1576 1 2 . 1 1 134 134 GLN H H 403 7.620 7.620 8.608 -0.988 17838 1577 1 2 . 1 1 135 135 TRP N N 404 123.420 123.420 122.955 0.465 17838 1578 1 2 . 1 1 135 135 TRP HA H 404 4.510 4.510 5.111 -0.601 17838 1579 1 2 . 1 1 135 135 TRP C C 404 176.280 176.280 175.329 0.951 17838 1580 1 2 . 1 1 135 135 TRP CA C 404 57.880 57.880 55.196 2.684 17838 1581 1 2 . 1 1 135 135 TRP CB C 404 30.110 30.110 30.145 -0.035 17838 1582 1 2 . 1 1 135 135 TRP H H 404 8.310 8.310 7.520 0.790 17838 1583 1 2 . 1 1 136 136 HIS N N 405 117.210 117.210 124.366 -7.156 17838 1584 1 2 . 1 1 136 136 HIS HA H 405 4.810 4.810 5.007 -0.197 17838 1585 1 2 . 1 1 136 136 HIS C C 405 173.490 173.490 174.732 -1.242 17838 1586 1 2 . 1 1 136 136 HIS CA C 405 55.160 55.160 55.219 -0.059 17838 1587 1 2 . 1 1 136 136 HIS CB C 405 33.410 33.410 33.887 -0.477 17838 1588 1 2 . 1 1 136 136 HIS H H 405 9.470 9.470 8.901 0.569 17838 1589 1 2 . 1 1 137 137 THR N N 406 122.780 122.780 119.677 3.103 17838 1590 1 2 . 1 1 137 137 THR HA H 406 4.840 4.840 4.276 0.564 17838 1591 1 2 . 1 1 137 137 THR C C 406 174.350 174.350 174.061 0.289 17838 1592 1 2 . 1 1 137 137 THR CA C 406 62.650 62.650 63.316 -0.666 17838 1593 1 2 . 1 1 137 137 THR CB C 406 70.330 70.330 69.210 1.120 17838 1594 1 2 . 1 1 137 137 THR H H 406 9.430 9.430 8.107 1.323 17838 1595 1 2 . 1 1 138 138 LEU N N 407 124.890 124.890 123.036 1.854 17838 1596 1 2 . 1 1 138 138 LEU HA H 407 3.910 3.910 4.435 -0.525 17838 1597 1 2 . 1 1 138 138 LEU C C 407 175.480 175.480 175.877 -0.397 17838 1598 1 2 . 1 1 138 138 LEU CA C 407 55.950 55.950 53.545 2.405 17838 1599 1 2 . 1 1 138 138 LEU CB C 407 43.050 43.050 44.792 -1.742 17838 1600 1 2 . 1 1 138 138 LEU H H 407 8.730 8.730 8.432 0.298 17838 1601 1 2 . 1 1 139 139 GLN N N 408 119.630 119.630 118.155 1.475 17838 1602 1 2 . 1 1 139 139 GLN HA H 408 4.680 4.680 4.781 -0.101 17838 1603 1 2 . 1 1 139 139 GLN C C 408 175.100 175.100 175.358 -0.258 17838 1604 1 2 . 1 1 139 139 GLN CA C 408 53.830 53.830 53.898 -0.068 17838 1605 1 2 . 1 1 139 139 GLN CB C 408 32.150 32.150 32.774 -0.624 17838 1606 1 2 . 1 1 139 139 GLN H H 408 8.470 8.470 8.746 -0.276 17838 1607 1 2 . 1 1 140 140 VAL N N 409 119.820 119.820 118.098 1.722 17838 1608 1 2 . 1 1 140 140 VAL HA H 409 3.850 3.850 4.227 -0.377 17838 1609 1 2 . 1 1 140 140 VAL C C 409 178.020 178.020 176.970 1.050 17838 1610 1 2 . 1 1 140 140 VAL CA C 409 63.130 63.130 61.770 1.359 17838 1611 1 2 . 1 1 140 140 VAL CB C 409 32.500 32.500 33.015 -0.515 17838 1612 1 2 . 1 1 140 140 VAL H H 409 8.410 8.410 8.423 -0.013 17838 1613 1 2 . 1 1 141 141 GLU N N 410 127.170 127.170 120.523 6.647 17838 1614 1 2 . 1 1 141 141 GLU HA H 410 3.490 3.490 4.038 -0.548 17838 1615 1 2 . 1 1 141 141 GLU C C 410 176.850 176.850 178.892 -2.042 17838 1616 1 2 . 1 1 141 141 GLU CA C 410 60.610 60.610 59.903 0.707 17838 1617 1 2 . 1 1 141 141 GLU CB C 410 29.530 29.530 29.327 0.203 17838 1618 1 2 . 1 1 141 141 GLU H H 410 8.940 8.940 8.957 -0.017 17838 1619 1 2 . 1 1 142 142 GLU N N 411 115.780 115.780 118.263 -2.483 17838 1620 1 2 . 1 1 142 142 GLU HA H 411 3.950 3.950 4.099 -0.149 17838 1621 1 2 . 1 1 142 142 GLU C C 411 179.050 179.050 179.031 0.019 17838 1622 1 2 . 1 1 142 142 GLU CA C 411 59.920 59.920 59.226 0.694 17838 1623 1 2 . 1 1 142 142 GLU CB C 411 28.940 28.940 28.944 -0.004 17838 1624 1 2 . 1 1 142 142 GLU H H 411 9.070 9.070 8.901 0.169 17838 1625 1 2 . 1 1 143 143 GLU N N 412 118.520 118.520 118.944 -0.424 17838 1626 1 2 . 1 1 143 143 GLU HA H 412 4.050 4.050 4.248 -0.198 17838 1627 1 2 . 1 1 143 143 GLU C C 412 178.870 178.870 178.141 0.729 17838 1628 1 2 . 1 1 143 143 GLU CA C 412 58.590 58.590 58.777 -0.187 17838 1629 1 2 . 1 1 143 143 GLU CB C 412 29.190 29.190 29.853 -0.663 17838 1630 1 2 . 1 1 143 143 GLU H H 412 7.080 7.080 7.591 -0.511 17838 1631 1 2 . 1 1 144 144 VAL N N 413 121.110 121.110 120.957 0.153 17838 1632 1 2 . 1 1 144 144 VAL HA H 413 3.680 3.680 4.197 -0.517 17838 1633 1 2 . 1 1 144 144 VAL C C 413 177.970 177.970 177.209 0.761 17838 1634 1 2 . 1 1 144 144 VAL CA C 413 66.140 66.140 63.501 2.639 17838 1635 1 2 . 1 1 144 144 VAL CB C 413 31.620 31.620 32.295 -0.675 17838 1636 1 2 . 1 1 144 144 VAL H H 413 7.550 7.550 7.426 0.124 17838 1637 1 2 . 1 1 145 145 ASP N N 414 120.040 120.040 120.993 -0.953 17838 1638 1 2 . 1 1 145 145 ASP HA H 414 4.020 4.020 4.345 -0.325 17838 1639 1 2 . 1 1 145 145 ASP C C 414 178.910 178.910 177.494 1.416 17838 1640 1 2 . 1 1 145 145 ASP CA C 414 57.620 57.620 57.814 -0.194 17838 1641 1 2 . 1 1 145 145 ASP CB C 414 38.690 38.690 40.893 -2.203 17838 1642 1 2 . 1 1 145 145 ASP H H 414 8.660 8.660 8.652 0.008 17838 1643 1 2 . 1 1 146 146 ALA N N 415 121.010 121.010 118.876 2.134 17838 1644 1 2 . 1 1 146 146 ALA HA H 415 4.020 4.020 4.421 -0.401 17838 1645 1 2 . 1 1 146 146 ALA C C 415 179.930 179.930 177.996 1.934 17838 1646 1 2 . 1 1 146 146 ALA CA C 415 54.820 54.820 53.023 1.797 17838 1647 1 2 . 1 1 146 146 ALA CB C 415 17.910 17.910 18.739 -0.829 17838 1648 1 2 . 1 1 146 146 ALA H H 415 7.270 7.270 7.605 -0.335 17838 1649 1 2 . 1 1 147 147 MET N N 416 116.980 116.980 117.129 -0.149 17838 1650 1 2 . 1 1 147 147 MET HA H 416 4.150 4.150 4.493 -0.343 17838 1651 1 2 . 1 1 147 147 MET C C 416 177.990 177.990 177.000 0.990 17838 1652 1 2 . 1 1 147 147 MET CA C 416 57.600 57.600 55.372 2.228 17838 1653 1 2 . 1 1 147 147 MET CB C 416 33.140 33.140 34.098 -0.958 17838 1654 1 2 . 1 1 147 147 MET H H 416 7.410 7.410 7.583 -0.173 17838 1655 1 2 . 1 1 148 148 LEU N N 417 118.550 118.550 117.110 1.440 17838 1656 1 2 . 1 1 148 148 LEU HA H 417 3.540 3.540 4.779 -1.239 17838 1657 1 2 . 1 1 148 148 LEU C C 417 176.810 176.810 176.617 0.193 17838 1658 1 2 . 1 1 148 148 LEU CA C 417 55.670 55.670 55.551 0.119 17838 1659 1 2 . 1 1 148 148 LEU CB C 417 42.650 42.650 41.352 1.298 17838 1660 1 2 . 1 1 148 148 LEU H H 417 7.560 7.560 7.656 -0.096 17838 1661 1 2 . 1 1 149 149 ALA N N 418 119.940 119.940 122.377 -2.437 17838 1662 1 2 . 1 1 149 149 ALA HA H 418 4.010 4.010 4.405 -0.395 17838 1663 1 2 . 1 1 149 149 ALA C C 418 177.010 177.010 176.784 0.226 17838 1664 1 2 . 1 1 149 149 ALA CA C 418 52.310 52.310 50.948 1.362 17838 1665 1 2 . 1 1 149 149 ALA CB C 418 18.700 18.700 18.999 -0.299 17838 1666 1 2 . 1 1 149 149 ALA H H 418 7.080 7.080 7.465 -0.385 17838 1667 1 2 . 1 1 150 150 VAL N N 419 118.810 118.810 122.632 -3.822 17838 1668 1 2 . 1 1 150 150 VAL HA H 419 3.840 3.840 3.706 0.134 17838 1669 1 2 . 1 1 150 150 VAL C C 419 175.760 175.760 176.291 -0.531 17838 1670 1 2 . 1 1 150 150 VAL CA C 419 62.930 62.930 63.318 -0.388 17838 1671 1 2 . 1 1 150 150 VAL CB C 419 32.450 32.450 30.751 1.699 17838 1672 1 2 . 1 1 150 150 VAL H H 419 7.560 7.560 8.044 -0.484 17838 1673 1 2 . 1 1 151 151 LYS N N 420 126.620 126.620 120.526 6.094 17838 1674 1 2 . 1 1 151 151 LYS HA H 420 4.260 4.260 4.170 0.090 17838 1675 1 2 . 1 1 151 151 LYS C C 420 175.210 175.210 175.912 -0.702 17838 1676 1 2 . 1 1 151 151 LYS CA C 420 56.050 56.050 57.129 -1.079 17838 1677 1 2 . 1 1 151 151 LYS CB C 420 33.050 33.050 33.331 -0.281 17838 1678 1 2 . 1 1 151 151 LYS H H 420 8.290 8.290 8.580 -0.290 17838 1679 1 3 . 1 1 3 3 LYS N N 272 123.800 123.800 122.221 1.579 17838 1680 1 3 . 1 1 3 3 LYS HA H 272 4.190 4.190 3.953 0.237 17838 1681 1 3 . 1 1 3 3 LYS C C 272 176.410 176.410 176.662 -0.252 17838 1682 1 3 . 1 1 3 3 LYS CA C 272 56.160 56.160 56.641 -0.481 17838 1683 1 3 . 1 1 3 3 LYS CB C 272 31.950 31.950 31.283 0.667 17838 1684 1 3 . 1 1 3 3 LYS H H 272 8.470 8.470 8.730 -0.260 17838 1685 1 3 . 1 1 4 4 LEU N N 273 125.150 125.150 118.449 6.701 17838 1686 1 3 . 1 1 4 4 LEU HA H 273 4.200 4.200 4.168 0.032 17838 1687 1 3 . 1 1 4 4 LEU C C 273 175.130 175.130 177.386 -2.256 17838 1688 1 3 . 1 1 4 4 LEU CA C 273 55.940 55.940 57.050 -1.110 17838 1689 1 3 . 1 1 4 4 LEU CB C 273 43.330 43.330 42.524 0.806 17838 1690 1 3 . 1 1 4 4 LEU H H 273 8.610 8.610 8.436 0.174 17838 1691 1 3 . 1 1 5 5 GLY N N 274 102.380 102.380 101.300 1.080 17838 1692 1 3 . 1 1 5 5 GLY C C 274 171.630 171.630 171.872 -0.242 17838 1693 1 3 . 1 1 5 5 GLY CA C 274 44.480 44.480 44.430 0.050 17838 1694 1 3 . 1 1 5 5 GLY H H 274 7.170 7.170 7.818 -0.648 17838 1695 1 3 . 1 1 6 6 ASP N N 275 116.430 116.430 123.223 -6.793 17838 1696 1 3 . 1 1 6 6 ASP HA H 275 5.760 5.760 5.490 0.270 17838 1697 1 3 . 1 1 6 6 ASP C C 275 174.880 174.880 174.294 0.586 17838 1698 1 3 . 1 1 6 6 ASP CA C 275 53.160 53.160 54.016 -0.856 17838 1699 1 3 . 1 1 6 6 ASP CB C 275 45.720 45.720 43.871 1.849 17838 1700 1 3 . 1 1 6 6 ASP H H 275 8.500 8.500 8.456 0.044 17838 1701 1 3 . 1 1 7 7 ILE N N 276 118.640 118.640 123.897 -5.257 17838 1702 1 3 . 1 1 7 7 ILE HA H 276 5.220 5.220 4.520 0.700 17838 1703 1 3 . 1 1 7 7 ILE C C 276 173.900 173.900 174.420 -0.520 17838 1704 1 3 . 1 1 7 7 ILE CA C 276 58.730 58.730 60.384 -1.654 17838 1705 1 3 . 1 1 7 7 ILE CB C 276 43.680 43.680 43.160 0.520 17838 1706 1 3 . 1 1 7 7 ILE H H 276 9.930 9.930 8.348 1.582 17838 1707 1 3 . 1 1 8 8 CYS N N 277 128.550 128.550 126.707 1.843 17838 1708 1 3 . 1 1 8 8 CYS HA H 277 4.560 4.560 5.048 -0.488 17838 1709 1 3 . 1 1 8 8 CYS C C 277 173.900 173.900 173.730 0.170 17838 1710 1 3 . 1 1 8 8 CYS CA C 277 56.340 56.340 56.626 -0.286 17838 1711 1 3 . 1 1 8 8 CYS CB C 277 25.930 25.930 28.000 -2.071 17838 1712 1 3 . 1 1 8 8 CYS H H 277 8.920 8.920 8.961 -0.041 17838 1713 1 3 . 1 1 9 9 PHE N N 278 121.320 121.320 124.938 -3.618 17838 1714 1 3 . 1 1 9 9 PHE HA H 278 5.330 5.330 5.369 -0.039 17838 1715 1 3 . 1 1 9 9 PHE C C 278 173.180 173.180 174.463 -1.283 17838 1716 1 3 . 1 1 9 9 PHE CA C 278 54.720 54.720 54.730 -0.010 17838 1717 1 3 . 1 1 9 9 PHE CB C 278 43.080 43.080 40.575 2.505 17838 1718 1 3 . 1 1 9 9 PHE H H 278 7.650 7.650 7.525 0.125 17838 1719 1 3 . 1 1 10 10 SER N N 279 116.160 116.160 116.752 -0.592 17838 1720 1 3 . 1 1 10 10 SER HA H 279 5.870 5.870 4.925 0.945 17838 1721 1 3 . 1 1 10 10 SER C C 279 172.820 172.820 173.805 -0.985 17838 1722 1 3 . 1 1 10 10 SER CA C 279 54.990 54.990 57.676 -2.686 17838 1723 1 3 . 1 1 10 10 SER CB C 279 66.260 66.260 63.946 2.314 17838 1724 1 3 . 1 1 10 10 SER H H 279 9.920 9.920 9.325 0.595 17838 1725 1 3 . 1 1 11 11 LEU N N 280 121.460 121.460 127.377 -5.917 17838 1726 1 3 . 1 1 11 11 LEU HA H 280 5.100 5.100 4.655 0.445 17838 1727 1 3 . 1 1 11 11 LEU C C 280 174.900 174.900 175.576 -0.676 17838 1728 1 3 . 1 1 11 11 LEU CA C 280 53.020 53.020 54.288 -1.268 17838 1729 1 3 . 1 1 11 11 LEU CB C 280 46.790 46.790 40.406 6.384 17838 1730 1 3 . 1 1 11 11 LEU H H 280 8.270 8.270 7.902 0.368 17838 1731 1 3 . 1 1 12 12 ARG N N 281 120.480 120.480 120.825 -0.345 17838 1732 1 3 . 1 1 12 12 ARG HA H 281 4.740 4.740 4.629 0.111 17838 1733 1 3 . 1 1 12 12 ARG C C 281 173.410 173.410 173.494 -0.084 17838 1734 1 3 . 1 1 12 12 ARG CA C 281 54.810 54.810 54.646 0.164 17838 1735 1 3 . 1 1 12 12 ARG CB C 281 34.560 34.560 33.514 1.046 17838 1736 1 3 . 1 1 12 12 ARG H H 281 8.240 8.240 8.074 0.166 17838 1737 1 3 . 1 1 13 13 TYR N N 282 127.490 127.490 121.586 5.904 17838 1738 1 3 . 1 1 13 13 TYR HA H 282 5.490 5.490 4.774 0.716 17838 1739 1 3 . 1 1 13 13 TYR C C 282 174.270 174.270 173.723 0.547 17838 1740 1 3 . 1 1 13 13 TYR CA C 282 56.410 56.410 56.187 0.223 17838 1741 1 3 . 1 1 13 13 TYR CB C 282 39.740 39.740 42.805 -3.065 17838 1742 1 3 . 1 1 13 13 TYR H H 282 9.370 9.370 7.980 1.390 17838 1743 1 3 . 1 1 14 14 VAL N N 283 127.660 127.660 124.582 3.078 17838 1744 1 3 . 1 1 14 14 VAL HA H 283 4.240 4.240 4.321 -0.081 17838 1745 1 3 . 1 1 14 14 VAL CA C 283 58.700 58.700 59.135 -0.435 17838 1746 1 3 . 1 1 14 14 VAL CB C 283 32.450 32.450 32.022 0.428 17838 1747 1 3 . 1 1 14 14 VAL H H 283 7.480 7.480 8.041 -0.561 17838 1748 1 3 . 1 1 15 15 PRO HA H 284 3.780 3.780 4.389 -0.609 17838 1749 1 3 . 1 1 15 15 PRO C C 284 178.150 178.150 177.512 0.638 17838 1750 1 3 . 1 1 15 15 PRO CA C 284 65.540 65.540 64.742 0.798 17838 1751 1 3 . 1 1 15 15 PRO CB C 284 32.360 32.360 31.788 0.572 17838 1752 1 3 . 1 1 16 16 THR N N 285 109.040 109.040 112.149 -3.109 17838 1753 1 3 . 1 1 16 16 THR HA H 285 3.850 3.850 4.284 -0.434 17838 1754 1 3 . 1 1 16 16 THR C C 285 174.880 174.880 174.350 0.530 17838 1755 1 3 . 1 1 16 16 THR CA C 285 64.490 64.490 63.380 1.110 17838 1756 1 3 . 1 1 16 16 THR CB C 285 68.150 68.150 68.374 -0.224 17838 1757 1 3 . 1 1 16 16 THR H H 285 7.690 7.690 7.919 -0.229 17838 1758 1 3 . 1 1 17 17 ALA N N 286 119.760 119.760 122.458 -2.698 17838 1759 1 3 . 1 1 17 17 ALA HA H 286 4.380 4.380 4.558 -0.178 17838 1760 1 3 . 1 1 17 17 ALA C C 286 177.040 177.040 177.731 -0.691 17838 1761 1 3 . 1 1 17 17 ALA CA C 286 51.450 51.450 52.164 -0.714 17838 1762 1 3 . 1 1 17 17 ALA CB C 286 20.320 20.320 20.749 -0.429 17838 1763 1 3 . 1 1 17 17 ALA H H 286 6.520 6.520 7.252 -0.732 17838 1764 1 3 . 1 1 18 18 GLY N N 287 109.040 109.040 108.864 0.176 17838 1765 1 3 . 1 1 18 18 GLY C C 287 173.990 173.990 173.310 0.680 17838 1766 1 3 . 1 1 18 18 GLY CA C 287 47.150 47.150 45.585 1.565 17838 1767 1 3 . 1 1 18 18 GLY H H 287 7.690 7.690 8.415 -0.725 17838 1768 1 3 . 1 1 19 19 LYS N N 288 117.030 117.030 115.400 1.630 17838 1769 1 3 . 1 1 19 19 LYS HA H 288 4.890 4.890 5.072 -0.182 17838 1770 1 3 . 1 1 19 19 LYS C C 288 173.910 173.910 174.380 -0.470 17838 1771 1 3 . 1 1 19 19 LYS CA C 288 55.100 55.100 54.647 0.453 17838 1772 1 3 . 1 1 19 19 LYS CB C 288 35.520 35.520 36.037 -0.517 17838 1773 1 3 . 1 1 19 19 LYS H H 288 6.630 6.630 7.176 -0.546 17838 1774 1 3 . 1 1 20 20 LEU N N 289 131.970 131.970 122.438 9.532 17838 1775 1 3 . 1 1 20 20 LEU HA H 289 5.480 5.480 4.664 0.816 17838 1776 1 3 . 1 1 20 20 LEU C C 289 174.750 174.750 176.532 -1.782 17838 1777 1 3 . 1 1 20 20 LEU CA C 289 53.620 53.620 55.407 -1.787 17838 1778 1 3 . 1 1 20 20 LEU CB C 289 45.840 45.840 44.353 1.487 17838 1779 1 3 . 1 1 20 20 LEU H H 289 9.260 9.260 9.137 0.123 17838 1780 1 3 . 1 1 21 21 THR N N 290 124.180 124.180 118.660 5.520 17838 1781 1 3 . 1 1 21 21 THR HA H 290 5.260 5.260 4.794 0.466 17838 1782 1 3 . 1 1 21 21 THR C C 290 173.650 173.650 173.506 0.144 17838 1783 1 3 . 1 1 21 21 THR CA C 290 62.070 62.070 61.786 0.284 17838 1784 1 3 . 1 1 21 21 THR CB C 290 70.920 70.920 69.090 1.830 17838 1785 1 3 . 1 1 21 21 THR H H 290 9.770 9.770 8.219 1.551 17838 1786 1 3 . 1 1 22 22 VAL N N 291 129.970 129.970 128.296 1.674 17838 1787 1 3 . 1 1 22 22 VAL HA H 291 5.010 5.010 4.248 0.762 17838 1788 1 3 . 1 1 22 22 VAL C C 291 174.510 174.510 175.578 -1.068 17838 1789 1 3 . 1 1 22 22 VAL CA C 291 59.970 59.970 62.663 -2.693 17838 1790 1 3 . 1 1 22 22 VAL CB C 291 34.900 34.900 32.129 2.771 17838 1791 1 3 . 1 1 22 22 VAL H H 291 9.510 9.510 8.554 0.956 17838 1792 1 3 . 1 1 23 23 VAL N N 292 125.670 125.670 127.234 -1.564 17838 1793 1 3 . 1 1 23 23 VAL HA H 292 4.830 4.830 5.012 -0.182 17838 1794 1 3 . 1 1 23 23 VAL C C 292 177.610 177.610 175.813 1.797 17838 1795 1 3 . 1 1 23 23 VAL CA C 292 60.370 60.370 60.612 -0.242 17838 1796 1 3 . 1 1 23 23 VAL CB C 292 32.230 32.230 32.280 -0.050 17838 1797 1 3 . 1 1 23 23 VAL H H 292 8.650 8.650 8.402 0.248 17838 1798 1 3 . 1 1 24 24 ILE N N 293 125.630 125.630 128.753 -3.123 17838 1799 1 3 . 1 1 24 24 ILE HA H 293 4.010 4.010 4.308 -0.298 17838 1800 1 3 . 1 1 24 24 ILE C C 293 175.140 175.140 175.836 -0.696 17838 1801 1 3 . 1 1 24 24 ILE CA C 293 58.560 58.560 61.571 -3.011 17838 1802 1 3 . 1 1 24 24 ILE CB C 293 34.580 34.580 37.403 -2.823 17838 1803 1 3 . 1 1 24 24 ILE H H 293 9.100 9.100 8.679 0.421 17838 1804 1 3 . 1 1 25 25 LEU N N 294 130.570 130.570 129.460 1.110 17838 1805 1 3 . 1 1 25 25 LEU HA H 294 4.110 4.110 4.319 -0.209 17838 1806 1 3 . 1 1 25 25 LEU C C 294 175.250 175.250 176.899 -1.649 17838 1807 1 3 . 1 1 25 25 LEU CA C 294 58.210 58.210 57.658 0.552 17838 1808 1 3 . 1 1 25 25 LEU CB C 294 41.470 41.470 42.273 -0.803 17838 1809 1 3 . 1 1 25 25 LEU H H 294 8.260 8.260 8.321 -0.061 17838 1810 1 3 . 1 1 26 26 GLU N N 295 111.970 111.970 113.180 -1.210 17838 1811 1 3 . 1 1 26 26 GLU HA H 295 5.050 5.050 5.044 0.006 17838 1812 1 3 . 1 1 26 26 GLU C C 295 172.250 172.250 174.830 -2.580 17838 1813 1 3 . 1 1 26 26 GLU CA C 295 54.970 54.970 54.804 0.166 17838 1814 1 3 . 1 1 26 26 GLU CB C 295 32.990 32.990 33.273 -0.283 17838 1815 1 3 . 1 1 26 26 GLU H H 295 7.490 7.490 7.773 -0.283 17838 1816 1 3 . 1 1 27 27 ALA N N 296 121.530 121.530 119.828 1.702 17838 1817 1 3 . 1 1 27 27 ALA HA H 296 5.550 5.550 4.607 0.943 17838 1818 1 3 . 1 1 27 27 ALA C C 296 174.560 174.560 175.450 -0.890 17838 1819 1 3 . 1 1 27 27 ALA CA C 296 50.780 50.780 51.870 -1.090 17838 1820 1 3 . 1 1 27 27 ALA CB C 296 22.690 22.690 22.379 0.311 17838 1821 1 3 . 1 1 27 27 ALA H H 296 9.170 9.170 8.500 0.670 17838 1822 1 3 . 1 1 28 28 LYS N N 297 116.690 116.690 119.706 -3.016 17838 1823 1 3 . 1 1 28 28 LYS HA H 297 5.380 5.380 4.827 0.553 17838 1824 1 3 . 1 1 28 28 LYS C C 297 174.200 174.200 175.302 -1.102 17838 1825 1 3 . 1 1 28 28 LYS CA C 297 54.970 54.970 55.734 -0.764 17838 1826 1 3 . 1 1 28 28 LYS CB C 297 37.660 37.660 32.628 5.032 17838 1827 1 3 . 1 1 28 28 LYS H H 297 9.190 9.190 8.402 0.788 17838 1828 1 3 . 1 1 29 29 ASN N N 298 115.540 115.540 117.232 -1.692 17838 1829 1 3 . 1 1 29 29 ASN HA H 298 4.150 4.150 4.876 -0.726 17838 1830 1 3 . 1 1 29 29 ASN C C 298 173.850 173.850 174.980 -1.130 17838 1831 1 3 . 1 1 29 29 ASN CA C 298 53.600 53.600 53.103 0.497 17838 1832 1 3 . 1 1 29 29 ASN CB C 298 37.000 37.000 40.232 -3.232 17838 1833 1 3 . 1 1 29 29 ASN H H 298 8.640 8.640 8.034 0.606 17838 1834 1 3 . 1 1 30 30 LEU N N 299 114.360 114.360 123.457 -9.097 17838 1835 1 3 . 1 1 30 30 LEU HA H 299 4.500 4.500 4.599 -0.099 17838 1836 1 3 . 1 1 30 30 LEU C C 299 174.750 174.750 176.170 -1.420 17838 1837 1 3 . 1 1 30 30 LEU CA C 299 55.010 55.010 53.890 1.120 17838 1838 1 3 . 1 1 30 30 LEU CB C 299 42.820 42.820 39.830 2.990 17838 1839 1 3 . 1 1 30 30 LEU H H 299 8.210 8.210 8.249 -0.039 17838 1840 1 3 . 1 1 31 31 LYS N N 300 119.660 119.660 123.207 -3.547 17838 1841 1 3 . 1 1 31 31 LYS HA H 300 3.900 3.900 4.307 -0.407 17838 1842 1 3 . 1 1 31 31 LYS C C 300 175.130 175.130 175.906 -0.776 17838 1843 1 3 . 1 1 31 31 LYS CA C 300 56.630 56.630 55.173 1.457 17838 1844 1 3 . 1 1 31 31 LYS CB C 300 35.060 35.060 33.149 1.911 17838 1845 1 3 . 1 1 31 31 LYS H H 300 6.830 6.830 7.996 -1.166 17838 1846 1 3 . 1 1 32 32 LYS N N 301 124.550 124.550 119.923 4.627 17838 1847 1 3 . 1 1 32 32 LYS HA H 301 3.760 3.760 4.183 -0.423 17838 1848 1 3 . 1 1 32 32 LYS C C 301 175.590 175.590 176.905 -1.315 17838 1849 1 3 . 1 1 32 32 LYS CA C 301 56.900 56.900 57.673 -0.773 17838 1850 1 3 . 1 1 32 32 LYS CB C 301 32.990 32.990 30.872 2.118 17838 1851 1 3 . 1 1 32 32 LYS H H 301 8.060 8.060 8.547 -0.487 17838 1852 1 3 . 1 1 33 33 MET N N 302 122.790 122.790 119.047 3.743 17838 1853 1 3 . 1 1 33 33 MET HA H 302 4.720 4.720 4.516 0.204 17838 1854 1 3 . 1 1 33 33 MET C C 302 176.510 176.510 176.352 0.158 17838 1855 1 3 . 1 1 33 33 MET CA C 302 53.860 53.860 56.407 -2.547 17838 1856 1 3 . 1 1 33 33 MET CB C 302 32.590 32.590 33.411 -0.821 17838 1857 1 3 . 1 1 33 33 MET H H 302 7.970 7.970 7.940 0.030 17838 1858 1 3 . 1 1 34 34 ASP N N 303 124.630 124.630 121.484 3.146 17838 1859 1 3 . 1 1 34 34 ASP HA H 303 5.030 5.030 4.668 0.362 17838 1860 1 3 . 1 1 34 34 ASP CA C 303 52.810 52.810 53.978 -1.168 17838 1861 1 3 . 1 1 34 34 ASP CB C 303 41.950 41.950 42.835 -0.885 17838 1862 1 3 . 1 1 34 34 ASP H H 303 8.080 8.080 8.215 -0.135 17838 1863 1 3 . 1 1 35 35 VAL N N 304 125.910 125.910 125.505 0.405 17838 1864 1 3 . 1 1 35 35 VAL HA H 304 3.690 3.690 3.988 -0.298 17838 1865 1 3 . 1 1 35 35 VAL C C 304 176.820 176.820 176.517 0.303 17838 1866 1 3 . 1 1 35 35 VAL CA C 304 64.750 64.750 63.206 1.544 17838 1867 1 3 . 1 1 35 35 VAL CB C 304 31.120 31.120 30.157 0.963 17838 1868 1 3 . 1 1 35 35 VAL H H 304 8.760 8.760 8.567 0.193 17838 1869 1 3 . 1 1 36 36 GLY N N 305 115.560 115.560 115.625 -0.065 17838 1870 1 3 . 1 1 36 36 GLY C C 305 174.160 174.160 174.118 0.042 17838 1871 1 3 . 1 1 36 36 GLY CA C 305 45.740 45.740 44.729 1.011 17838 1872 1 3 . 1 1 36 36 GLY H H 305 8.830 8.830 8.275 0.555 17838 1873 1 3 . 1 1 37 37 GLY N N 306 109.040 109.040 108.499 0.541 17838 1874 1 3 . 1 1 37 37 GLY C C 306 173.030 173.030 172.745 0.285 17838 1875 1 3 . 1 1 37 37 GLY CA C 306 45.040 45.040 44.125 0.915 17838 1876 1 3 . 1 1 37 37 GLY H H 306 7.690 7.690 8.101 -0.411 17838 1877 1 3 . 1 1 38 38 LEU N N 307 124.610 124.610 119.013 5.597 17838 1878 1 3 . 1 1 38 38 LEU HA H 307 4.580 4.580 4.732 -0.152 17838 1879 1 3 . 1 1 38 38 LEU CA C 307 53.470 53.470 53.496 -0.026 17838 1880 1 3 . 1 1 38 38 LEU CB C 307 42.060 42.060 45.482 -3.422 17838 1881 1 3 . 1 1 38 38 LEU H H 307 8.410 8.410 8.498 -0.088 17838 1882 1 3 . 1 1 39 39 SER N N 308 115.270 115.270 113.742 1.528 17838 1883 1 3 . 1 1 39 39 SER HA H 308 4.490 4.490 4.644 -0.154 17838 1884 1 3 . 1 1 39 39 SER CA C 308 57.250 57.250 57.689 -0.439 17838 1885 1 3 . 1 1 39 39 SER CB C 308 68.290 68.290 65.588 2.701 17838 1886 1 3 . 1 1 39 39 SER H H 308 7.080 7.080 8.457 -1.377 17838 1887 1 3 . 1 1 40 40 ASP N N 309 121.280 121.280 121.452 -0.172 17838 1888 1 3 . 1 1 40 40 ASP HA H 309 5.880 5.880 5.220 0.660 17838 1889 1 3 . 1 1 40 40 ASP CA C 309 52.000 52.000 51.745 0.255 17838 1890 1 3 . 1 1 40 40 ASP CB C 309 42.350 42.350 42.760 -0.410 17838 1891 1 3 . 1 1 40 40 ASP H H 309 9.270 9.270 8.696 0.574 17838 1892 1 3 . 1 1 41 41 PRO HA H 310 5.680 5.680 4.508 1.172 17838 1893 1 3 . 1 1 41 41 PRO C C 310 179.050 179.050 175.660 3.390 17838 1894 1 3 . 1 1 41 41 PRO CA C 310 62.970 62.970 62.386 0.584 17838 1895 1 3 . 1 1 41 41 PRO CB C 310 32.940 32.940 32.433 0.507 17838 1896 1 3 . 1 1 42 42 TYR N N 311 122.860 122.860 125.282 -2.422 17838 1897 1 3 . 1 1 42 42 TYR HA H 311 4.740 4.740 4.577 0.163 17838 1898 1 3 . 1 1 42 42 TYR C C 311 170.780 170.780 173.279 -2.499 17838 1899 1 3 . 1 1 42 42 TYR CA C 311 55.640 55.640 57.693 -2.053 17838 1900 1 3 . 1 1 42 42 TYR CB C 311 41.950 41.950 41.384 0.566 17838 1901 1 3 . 1 1 42 42 TYR H H 311 9.130 9.130 8.328 0.802 17838 1902 1 3 . 1 1 43 43 VAL N N 312 120.460 120.460 122.811 -2.351 17838 1903 1 3 . 1 1 43 43 VAL HA H 312 4.840 4.840 4.851 -0.011 17838 1904 1 3 . 1 1 43 43 VAL C C 312 174.430 174.430 173.558 0.872 17838 1905 1 3 . 1 1 43 43 VAL CA C 312 60.110 60.110 59.536 0.574 17838 1906 1 3 . 1 1 43 43 VAL CB C 312 33.430 33.430 35.495 -2.066 17838 1907 1 3 . 1 1 43 43 VAL H H 312 8.570 8.570 7.742 0.828 17838 1908 1 3 . 1 1 44 44 LYS N N 313 125.500 125.500 117.870 7.630 17838 1909 1 3 . 1 1 44 44 LYS HA H 313 4.840 4.840 5.091 -0.251 17838 1910 1 3 . 1 1 44 44 LYS C C 313 174.300 174.300 174.251 0.049 17838 1911 1 3 . 1 1 44 44 LYS CA C 313 54.680 54.680 53.990 0.690 17838 1912 1 3 . 1 1 44 44 LYS CB C 313 36.140 36.140 36.345 -0.205 17838 1913 1 3 . 1 1 44 44 LYS H H 313 9.050 9.050 8.648 0.402 17838 1914 1 3 . 1 1 45 45 ILE N N 314 123.760 123.760 119.400 4.360 17838 1915 1 3 . 1 1 45 45 ILE HA H 314 4.780 4.780 4.496 0.284 17838 1916 1 3 . 1 1 45 45 ILE C C 314 174.700 174.700 173.499 1.201 17838 1917 1 3 . 1 1 45 45 ILE CA C 314 60.050 60.050 59.639 0.411 17838 1918 1 3 . 1 1 45 45 ILE CB C 314 41.800 41.800 41.953 -0.153 17838 1919 1 3 . 1 1 45 45 ILE H H 314 8.770 8.770 8.528 0.242 17838 1920 1 3 . 1 1 46 46 HIS N N 315 122.820 122.820 123.950 -1.130 17838 1921 1 3 . 1 1 46 46 HIS HA H 315 5.340 5.340 5.009 0.331 17838 1922 1 3 . 1 1 46 46 HIS C C 315 173.540 173.540 173.967 -0.427 17838 1923 1 3 . 1 1 46 46 HIS CA C 315 54.590 54.590 54.851 -0.261 17838 1924 1 3 . 1 1 46 46 HIS CB C 315 34.280 34.280 33.551 0.729 17838 1925 1 3 . 1 1 46 46 HIS H H 315 9.070 9.070 8.782 0.288 17838 1926 1 3 . 1 1 47 47 LEU N N 316 124.780 124.780 119.820 4.960 17838 1927 1 3 . 1 1 47 47 LEU HA H 316 4.760 4.760 5.192 -0.432 17838 1928 1 3 . 1 1 47 47 LEU C C 316 174.720 174.720 175.260 -0.540 17838 1929 1 3 . 1 1 47 47 LEU CA C 316 53.480 53.480 53.562 -0.082 17838 1930 1 3 . 1 1 47 47 LEU CB C 316 44.010 44.010 43.617 0.393 17838 1931 1 3 . 1 1 47 47 LEU H H 316 8.350 8.350 8.497 -0.147 17838 1932 1 3 . 1 1 48 48 MET N N 317 125.550 125.550 121.562 3.988 17838 1933 1 3 . 1 1 48 48 MET HA H 317 5.360 5.360 5.057 0.303 17838 1934 1 3 . 1 1 48 48 MET C C 317 174.720 174.720 175.758 -1.038 17838 1935 1 3 . 1 1 48 48 MET CA C 317 53.490 53.490 53.466 0.024 17838 1936 1 3 . 1 1 48 48 MET CB C 317 35.800 35.800 31.814 3.986 17838 1937 1 3 . 1 1 48 48 MET H H 317 9.240 9.240 8.940 0.300 17838 1938 1 3 . 1 1 49 49 GLN N N 318 118.130 118.130 125.475 -7.345 17838 1939 1 3 . 1 1 49 49 GLN HA H 318 4.350 4.350 4.520 -0.170 17838 1940 1 3 . 1 1 49 49 GLN C C 318 175.850 175.850 176.031 -0.181 17838 1941 1 3 . 1 1 49 49 GLN CA C 318 56.330 56.330 55.266 1.064 17838 1942 1 3 . 1 1 49 49 GLN CB C 318 32.240 32.240 29.369 2.871 17838 1943 1 3 . 1 1 49 49 GLN H H 318 8.510 8.510 8.582 -0.072 17838 1944 1 3 . 1 1 50 50 ASN N N 319 127.590 127.590 124.646 2.944 17838 1945 1 3 . 1 1 50 50 ASN HA H 319 4.250 4.250 4.365 -0.115 17838 1946 1 3 . 1 1 50 50 ASN C C 319 174.650 174.650 175.326 -0.676 17838 1947 1 3 . 1 1 50 50 ASN CA C 319 54.180 54.180 53.108 1.072 17838 1948 1 3 . 1 1 50 50 ASN CB C 319 37.640 37.640 38.073 -0.433 17838 1949 1 3 . 1 1 50 50 ASN H H 319 9.430 9.430 9.329 0.101 17838 1950 1 3 . 1 1 51 51 GLY N N 320 104.030 104.030 103.434 0.596 17838 1951 1 3 . 1 1 51 51 GLY C C 320 173.160 173.160 173.803 -0.643 17838 1952 1 3 . 1 1 51 51 GLY CA C 320 45.480 45.480 45.551 -0.071 17838 1953 1 3 . 1 1 51 51 GLY H H 320 8.950 8.950 8.280 0.670 17838 1954 1 3 . 1 1 52 52 LYS N N 321 120.220 120.220 120.576 -0.356 17838 1955 1 3 . 1 1 52 52 LYS HA H 321 4.400 4.400 4.590 -0.190 17838 1956 1 3 . 1 1 52 52 LYS C C 321 175.370 175.370 175.522 -0.152 17838 1957 1 3 . 1 1 52 52 LYS CA C 321 54.340 54.340 54.543 -0.203 17838 1958 1 3 . 1 1 52 52 LYS CB C 321 34.230 34.230 35.458 -1.228 17838 1959 1 3 . 1 1 52 52 LYS H H 321 7.650 7.650 7.526 0.124 17838 1960 1 3 . 1 1 53 53 ARG N N 322 123.540 123.540 125.102 -1.562 17838 1961 1 3 . 1 1 53 53 ARG HA H 322 4.410 4.410 4.299 0.111 17838 1962 1 3 . 1 1 53 53 ARG C C 322 175.650 175.650 175.899 -0.249 17838 1963 1 3 . 1 1 53 53 ARG CA C 322 56.620 56.620 57.502 -0.882 17838 1964 1 3 . 1 1 53 53 ARG CB C 322 29.960 29.960 29.430 0.530 17838 1965 1 3 . 1 1 53 53 ARG H H 322 8.700 8.700 8.829 -0.129 17838 1966 1 3 . 1 1 54 54 LEU N N 323 127.220 127.220 126.933 0.287 17838 1967 1 3 . 1 1 54 54 LEU HA H 323 4.350 4.350 4.424 -0.074 17838 1968 1 3 . 1 1 54 54 LEU C C 323 177.380 177.380 176.652 0.728 17838 1969 1 3 . 1 1 54 54 LEU CA C 323 56.230 56.230 55.350 0.880 17838 1970 1 3 . 1 1 54 54 LEU CB C 323 42.950 42.950 43.522 -0.572 17838 1971 1 3 . 1 1 54 54 LEU H H 323 9.270 9.270 8.693 0.577 17838 1972 1 3 . 1 1 55 55 LYS N N 324 115.210 115.210 117.512 -2.302 17838 1973 1 3 . 1 1 55 55 LYS HA H 324 4.670 4.670 4.665 0.005 17838 1974 1 3 . 1 1 55 55 LYS C C 324 174.480 174.480 174.203 0.277 17838 1975 1 3 . 1 1 55 55 LYS CA C 324 54.460 54.460 55.233 -0.773 17838 1976 1 3 . 1 1 55 55 LYS CB C 324 37.580 37.580 36.917 0.663 17838 1977 1 3 . 1 1 55 55 LYS H H 324 7.410 7.410 7.525 -0.115 17838 1978 1 3 . 1 1 56 56 LYS N N 325 122.420 122.420 120.716 1.704 17838 1979 1 3 . 1 1 56 56 LYS HA H 325 5.320 5.320 4.872 0.448 17838 1980 1 3 . 1 1 56 56 LYS C C 325 174.700 174.700 175.763 -1.063 17838 1981 1 3 . 1 1 56 56 LYS CA C 325 54.970 54.970 54.711 0.259 17838 1982 1 3 . 1 1 56 56 LYS CB C 325 35.730 35.730 34.756 0.974 17838 1983 1 3 . 1 1 56 56 LYS H H 325 8.470 8.470 8.402 0.068 17838 1984 1 3 . 1 1 57 57 LYS N N 326 122.740 122.740 122.728 0.012 17838 1985 1 3 . 1 1 57 57 LYS HA H 326 4.630 4.630 4.695 -0.065 17838 1986 1 3 . 1 1 57 57 LYS C C 326 174.330 174.330 174.199 0.131 17838 1987 1 3 . 1 1 57 57 LYS CA C 326 53.560 53.560 54.699 -1.139 17838 1988 1 3 . 1 1 57 57 LYS CB C 326 37.960 37.960 37.347 0.613 17838 1989 1 3 . 1 1 57 57 LYS H H 326 8.850 8.850 8.831 0.019 17838 1990 1 3 . 1 1 58 58 LYS N N 327 118.070 118.070 118.031 0.039 17838 1991 1 3 . 1 1 58 58 LYS HA H 327 5.380 5.380 5.054 0.326 17838 1992 1 3 . 1 1 58 58 LYS C C 327 174.810 174.810 175.027 -0.217 17838 1993 1 3 . 1 1 58 58 LYS CA C 327 55.120 55.120 55.306 -0.186 17838 1994 1 3 . 1 1 58 58 LYS CB C 327 36.900 36.900 35.728 1.172 17838 1995 1 3 . 1 1 58 58 LYS H H 327 8.310 8.310 8.432 -0.122 17838 1996 1 3 . 1 1 59 59 THR N N 328 110.590 110.590 114.690 -4.100 17838 1997 1 3 . 1 1 59 59 THR HA H 328 4.850 4.850 4.626 0.224 17838 1998 1 3 . 1 1 59 59 THR C C 328 175.550 175.550 173.883 1.667 17838 1999 1 3 . 1 1 59 59 THR CA C 328 60.950 60.950 60.097 0.853 17838 2000 1 3 . 1 1 59 59 THR CB C 328 73.290 73.290 71.035 2.255 17838 2001 1 3 . 1 1 59 59 THR H H 328 8.650 8.650 8.029 0.621 17838 2002 1 3 . 1 1 60 60 THR N N 329 109.520 109.520 123.198 -13.678 17838 2003 1 3 . 1 1 60 60 THR HA H 329 4.120 4.120 4.512 -0.392 17838 2004 1 3 . 1 1 60 60 THR C C 329 173.570 173.570 173.339 0.231 17838 2005 1 3 . 1 1 60 60 THR CA C 329 62.710 62.710 62.398 0.312 17838 2006 1 3 . 1 1 60 60 THR CB C 329 70.920 70.920 68.765 2.155 17838 2007 1 3 . 1 1 60 60 THR H H 329 9.420 9.420 8.990 0.430 17838 2008 1 3 . 1 1 61 61 ILE N N 330 119.070 119.070 124.079 -5.009 17838 2009 1 3 . 1 1 61 61 ILE HA H 330 4.230 4.230 3.831 0.399 17838 2010 1 3 . 1 1 61 61 ILE C C 330 177.050 177.050 175.686 1.364 17838 2011 1 3 . 1 1 61 61 ILE CA C 330 61.060 61.060 60.127 0.933 17838 2012 1 3 . 1 1 61 61 ILE CB C 330 40.200 40.200 38.928 1.272 17838 2013 1 3 . 1 1 61 61 ILE H H 330 8.060 8.060 7.915 0.145 17838 2014 1 3 . 1 1 62 62 LYS N N 331 127.440 127.440 125.723 1.717 17838 2015 1 3 . 1 1 62 62 LYS HA H 331 4.620 4.620 4.338 0.282 17838 2016 1 3 . 1 1 62 62 LYS C C 331 174.080 174.080 176.348 -2.268 17838 2017 1 3 . 1 1 62 62 LYS CA C 331 52.170 52.170 55.461 -3.291 17838 2018 1 3 . 1 1 62 62 LYS CB C 331 31.610 31.610 32.444 -0.834 17838 2019 1 3 . 1 1 62 62 LYS H H 331 7.970 7.970 8.653 -0.683 17838 2020 1 3 . 1 1 63 63 LYS N N 332 118.220 118.220 120.652 -2.432 17838 2021 1 3 . 1 1 63 63 LYS HA H 332 4.630 4.630 4.237 0.393 17838 2022 1 3 . 1 1 63 63 LYS C C 332 177.270 177.270 177.178 0.092 17838 2023 1 3 . 1 1 63 63 LYS CA C 332 55.310 55.310 56.328 -1.018 17838 2024 1 3 . 1 1 63 63 LYS CB C 332 33.550 33.550 32.994 0.556 17838 2025 1 3 . 1 1 63 63 LYS H H 332 8.000 8.000 8.347 -0.347 17838 2026 1 3 . 1 1 64 64 ASN N N 333 122.920 122.920 118.843 4.077 17838 2027 1 3 . 1 1 64 64 ASN HA H 333 4.250 4.250 4.482 -0.232 17838 2028 1 3 . 1 1 64 64 ASN C C 333 173.470 173.470 173.754 -0.284 17838 2029 1 3 . 1 1 64 64 ASN CA C 333 54.030 54.030 54.404 -0.374 17838 2030 1 3 . 1 1 64 64 ASN CB C 333 37.910 37.910 37.664 0.246 17838 2031 1 3 . 1 1 64 64 ASN H H 333 9.710 9.710 9.263 0.447 17838 2032 1 3 . 1 1 65 65 THR N N 334 112.090 112.090 113.065 -0.975 17838 2033 1 3 . 1 1 65 65 THR HA H 334 4.600 4.600 4.693 -0.093 17838 2034 1 3 . 1 1 65 65 THR C C 334 170.000 170.000 173.464 -3.464 17838 2035 1 3 . 1 1 65 65 THR CA C 334 60.580 60.580 61.209 -0.629 17838 2036 1 3 . 1 1 65 65 THR CB C 334 68.600 68.600 71.558 -2.958 17838 2037 1 3 . 1 1 65 65 THR H H 334 8.630 8.630 7.695 0.935 17838 2038 1 3 . 1 1 66 66 LEU N N 335 121.880 121.880 124.567 -2.687 17838 2039 1 3 . 1 1 66 66 LEU HA H 335 4.500 4.500 4.629 -0.129 17838 2040 1 3 . 1 1 66 66 LEU C C 335 173.970 173.970 176.421 -2.451 17838 2041 1 3 . 1 1 66 66 LEU CA C 335 52.790 52.790 56.440 -3.650 17838 2042 1 3 . 1 1 66 66 LEU CB C 335 40.560 40.560 42.792 -2.232 17838 2043 1 3 . 1 1 66 66 LEU H H 335 8.530 8.530 8.417 0.113 17838 2044 1 3 . 1 1 67 67 ASN N N 336 115.420 115.420 116.444 -1.024 17838 2045 1 3 . 1 1 67 67 ASN HA H 336 5.500 5.500 5.458 0.042 17838 2046 1 3 . 1 1 67 67 ASN CA C 336 51.190 51.190 50.337 0.853 17838 2047 1 3 . 1 1 67 67 ASN CB C 336 41.620 41.620 39.237 2.383 17838 2048 1 3 . 1 1 67 67 ASN H H 336 8.540 8.540 7.944 0.596 17838 2049 1 3 . 1 1 68 68 PRO HA H 337 4.170 4.170 4.393 -0.223 17838 2050 1 3 . 1 1 68 68 PRO C C 337 173.480 173.480 175.390 -1.910 17838 2051 1 3 . 1 1 68 68 PRO CA C 337 62.710 62.710 63.413 -0.703 17838 2052 1 3 . 1 1 68 68 PRO CB C 337 32.610 32.610 30.562 2.048 17838 2053 1 3 . 1 1 69 69 TYR N N 338 120.550 120.550 125.813 -5.263 17838 2054 1 3 . 1 1 69 69 TYR HA H 338 4.470 4.470 4.889 -0.419 17838 2055 1 3 . 1 1 69 69 TYR C C 338 174.390 174.390 173.583 0.807 17838 2056 1 3 . 1 1 69 69 TYR CA C 338 57.740 57.740 56.726 1.014 17838 2057 1 3 . 1 1 69 69 TYR CB C 338 40.530 40.530 41.396 -0.866 17838 2058 1 3 . 1 1 69 69 TYR H H 338 8.060 8.060 8.188 -0.128 17838 2059 1 3 . 1 1 70 70 TYR N N 339 122.140 122.140 128.118 -5.978 17838 2060 1 3 . 1 1 70 70 TYR HA H 339 4.400 4.400 4.134 0.266 17838 2061 1 3 . 1 1 70 70 TYR C C 339 175.190 175.190 173.942 1.248 17838 2062 1 3 . 1 1 70 70 TYR CA C 339 59.040 59.040 58.468 0.572 17838 2063 1 3 . 1 1 70 70 TYR CB C 339 40.290 40.290 41.773 -1.483 17838 2064 1 3 . 1 1 70 70 TYR H H 339 8.080 8.080 7.990 0.090 17838 2065 1 3 . 1 1 71 71 ASN N N 340 120.260 120.260 119.688 0.572 17838 2066 1 3 . 1 1 71 71 ASN HA H 340 4.080 4.080 4.494 -0.414 17838 2067 1 3 . 1 1 71 71 ASN C C 340 173.510 173.510 173.774 -0.264 17838 2068 1 3 . 1 1 71 71 ASN CA C 340 53.960 53.960 53.986 -0.026 17838 2069 1 3 . 1 1 71 71 ASN CB C 340 37.450 37.450 37.284 0.166 17838 2070 1 3 . 1 1 71 71 ASN H H 340 8.130 8.130 7.930 0.200 17838 2071 1 3 . 1 1 72 72 GLU N N 341 117.370 117.370 121.684 -4.314 17838 2072 1 3 . 1 1 72 72 GLU HA H 341 4.300 4.300 4.572 -0.272 17838 2073 1 3 . 1 1 72 72 GLU C C 341 173.000 173.000 174.550 -1.550 17838 2074 1 3 . 1 1 72 72 GLU CA C 341 55.470 55.470 54.590 0.880 17838 2075 1 3 . 1 1 72 72 GLU CB C 341 33.320 33.320 33.611 -0.291 17838 2076 1 3 . 1 1 72 72 GLU H H 341 7.530 7.530 7.989 -0.459 17838 2077 1 3 . 1 1 73 73 SER N N 342 117.330 117.330 116.403 0.927 17838 2078 1 3 . 1 1 73 73 SER HA H 342 4.740 4.740 5.259 -0.519 17838 2079 1 3 . 1 1 73 73 SER C C 342 172.930 172.930 173.629 -0.699 17838 2080 1 3 . 1 1 73 73 SER CA C 342 56.810 56.810 56.907 -0.097 17838 2081 1 3 . 1 1 73 73 SER CB C 342 64.720 64.720 64.359 0.361 17838 2082 1 3 . 1 1 73 73 SER H H 342 8.010 8.010 8.361 -0.351 17838 2083 1 3 . 1 1 74 74 PHE N N 343 123.520 123.520 124.522 -1.002 17838 2084 1 3 . 1 1 74 74 PHE HA H 343 4.480 4.480 4.702 -0.222 17838 2085 1 3 . 1 1 74 74 PHE C C 343 173.480 173.480 175.268 -1.788 17838 2086 1 3 . 1 1 74 74 PHE CA C 343 57.280 57.280 57.118 0.162 17838 2087 1 3 . 1 1 74 74 PHE CB C 343 43.130 43.130 39.726 3.404 17838 2088 1 3 . 1 1 74 74 PHE H H 343 8.780 8.780 8.976 -0.196 17838 2089 1 3 . 1 1 75 75 SER N N 344 116.700 116.700 120.763 -4.063 17838 2090 1 3 . 1 1 75 75 SER HA H 344 5.480 5.480 5.512 -0.032 17838 2091 1 3 . 1 1 75 75 SER C C 344 172.170 172.170 173.504 -1.334 17838 2092 1 3 . 1 1 75 75 SER CA C 344 57.210 57.210 57.735 -0.525 17838 2093 1 3 . 1 1 75 75 SER CB C 344 66.140 66.140 64.559 1.581 17838 2094 1 3 . 1 1 75 75 SER H H 344 8.430 8.430 9.046 -0.616 17838 2095 1 3 . 1 1 76 76 PHE N N 345 119.990 119.990 123.085 -3.095 17838 2096 1 3 . 1 1 76 76 PHE HA H 345 4.800 4.800 4.720 0.080 17838 2097 1 3 . 1 1 76 76 PHE C C 345 173.440 173.440 173.508 -0.068 17838 2098 1 3 . 1 1 76 76 PHE CA C 345 56.080 56.080 56.038 0.042 17838 2099 1 3 . 1 1 76 76 PHE CB C 345 43.520 43.520 42.371 1.149 17838 2100 1 3 . 1 1 76 76 PHE H H 345 9.440 9.440 8.501 0.939 17838 2101 1 3 . 1 1 77 77 GLU N N 346 124.120 124.120 129.425 -5.305 17838 2102 1 3 . 1 1 77 77 GLU HA H 346 4.890 4.890 4.400 0.490 17838 2103 1 3 . 1 1 77 77 GLU C C 346 175.510 175.510 175.004 0.506 17838 2104 1 3 . 1 1 77 77 GLU CA C 346 55.880 55.880 55.750 0.130 17838 2105 1 3 . 1 1 77 77 GLU CB C 346 29.220 29.220 28.509 0.711 17838 2106 1 3 . 1 1 77 77 GLU H H 346 9.000 9.000 8.707 0.293 17838 2107 1 3 . 1 1 78 78 VAL N N 347 125.140 125.140 118.283 6.857 17838 2108 1 3 . 1 1 78 78 VAL HA H 347 4.390 4.390 4.452 -0.062 17838 2109 1 3 . 1 1 78 78 VAL CA C 347 59.350 59.350 58.045 1.305 17838 2110 1 3 . 1 1 78 78 VAL CB C 347 35.710 35.710 34.617 1.093 17838 2111 1 3 . 1 1 78 78 VAL H H 347 8.470 8.470 7.671 0.799 17838 2112 1 3 . 1 1 79 79 PRO HA H 348 4.550 4.550 4.770 -0.220 17838 2113 1 3 . 1 1 79 79 PRO C C 348 177.330 177.330 178.278 -0.948 17838 2114 1 3 . 1 1 79 79 PRO CA C 348 62.850 62.850 62.249 0.600 17838 2115 1 3 . 1 1 79 79 PRO CB C 348 32.870 32.870 32.056 0.814 17838 2116 1 3 . 1 1 80 80 PHE N N 349 125.590 125.590 118.051 7.539 17838 2117 1 3 . 1 1 80 80 PHE HA H 349 4.610 4.610 3.770 0.840 17838 2118 1 3 . 1 1 80 80 PHE C C 349 177.630 177.630 177.025 0.605 17838 2119 1 3 . 1 1 80 80 PHE CA C 349 61.050 61.050 60.360 0.690 17838 2120 1 3 . 1 1 80 80 PHE CB C 349 38.960 38.960 37.660 1.300 17838 2121 1 3 . 1 1 80 80 PHE H H 349 9.250 9.250 7.699 1.551 17838 2122 1 3 . 1 1 81 81 GLU N N 350 116.260 116.260 116.032 0.228 17838 2123 1 3 . 1 1 81 81 GLU HA H 350 3.870 3.870 4.126 -0.256 17838 2124 1 3 . 1 1 81 81 GLU C C 350 176.960 176.960 176.260 0.700 17838 2125 1 3 . 1 1 81 81 GLU CA C 350 58.870 58.870 56.748 2.122 17838 2126 1 3 . 1 1 81 81 GLU CB C 350 28.590 28.590 28.218 0.372 17838 2127 1 3 . 1 1 81 81 GLU H H 350 9.120 9.120 8.055 1.065 17838 2128 1 3 . 1 1 82 82 GLN N N 351 116.390 116.390 117.638 -1.248 17838 2129 1 3 . 1 1 82 82 GLN HA H 351 4.300 4.300 4.340 -0.040 17838 2130 1 3 . 1 1 82 82 GLN C C 351 177.670 177.670 177.264 0.406 17838 2131 1 3 . 1 1 82 82 GLN CA C 351 55.020 55.020 55.787 -0.767 17838 2132 1 3 . 1 1 82 82 GLN CB C 351 30.360 30.360 30.002 0.358 17838 2133 1 3 . 1 1 82 82 GLN H H 351 8.080 8.080 7.779 0.301 17838 2134 1 3 . 1 1 83 83 ILE N N 352 120.350 120.350 119.956 0.394 17838 2135 1 3 . 1 1 83 83 ILE HA H 352 3.900 3.900 3.940 -0.040 17838 2136 1 3 . 1 1 83 83 ILE C C 352 174.820 174.820 176.552 -1.732 17838 2137 1 3 . 1 1 83 83 ILE CA C 352 60.850 60.850 63.754 -2.904 17838 2138 1 3 . 1 1 83 83 ILE CB C 352 38.610 38.610 37.780 0.830 17838 2139 1 3 . 1 1 83 83 ILE H H 352 7.110 7.110 7.195 -0.085 17838 2140 1 3 . 1 1 84 84 GLN N N 353 116.230 116.230 115.038 1.192 17838 2141 1 3 . 1 1 84 84 GLN HA H 353 4.290 4.290 4.414 -0.124 17838 2142 1 3 . 1 1 84 84 GLN C C 353 176.520 176.520 175.858 0.662 17838 2143 1 3 . 1 1 84 84 GLN CA C 353 57.040 57.040 56.106 0.934 17838 2144 1 3 . 1 1 84 84 GLN CB C 353 27.700 27.700 27.449 0.251 17838 2145 1 3 . 1 1 84 84 GLN H H 353 8.110 8.110 8.615 -0.505 17838 2146 1 3 . 1 1 85 85 LYS N N 354 114.900 114.900 115.355 -0.455 17838 2147 1 3 . 1 1 85 85 LYS HA H 354 4.010 4.010 4.221 -0.211 17838 2148 1 3 . 1 1 85 85 LYS C C 354 175.920 175.920 175.538 0.382 17838 2149 1 3 . 1 1 85 85 LYS CA C 354 55.090 55.090 55.624 -0.534 17838 2150 1 3 . 1 1 85 85 LYS CB C 354 33.610 33.610 33.552 0.058 17838 2151 1 3 . 1 1 85 85 LYS H H 354 7.750 7.750 7.590 0.160 17838 2152 1 3 . 1 1 86 86 VAL N N 355 112.960 112.960 113.618 -0.658 17838 2153 1 3 . 1 1 86 86 VAL HA H 355 4.810 4.810 4.468 0.342 17838 2154 1 3 . 1 1 86 86 VAL C C 355 174.780 174.780 173.936 0.844 17838 2155 1 3 . 1 1 86 86 VAL CA C 355 60.450 60.450 59.888 0.562 17838 2156 1 3 . 1 1 86 86 VAL CB C 355 34.320 34.320 34.925 -0.605 17838 2157 1 3 . 1 1 86 86 VAL H H 355 6.900 6.900 7.157 -0.257 17838 2158 1 3 . 1 1 87 87 GLN N N 356 118.230 118.230 120.872 -2.642 17838 2159 1 3 . 1 1 87 87 GLN HA H 356 4.370 4.370 4.829 -0.459 17838 2160 1 3 . 1 1 87 87 GLN C C 356 174.390 174.390 174.059 0.331 17838 2161 1 3 . 1 1 87 87 GLN CA C 356 54.410 54.410 55.317 -0.907 17838 2162 1 3 . 1 1 87 87 GLN CB C 356 30.820 30.820 31.947 -1.127 17838 2163 1 3 . 1 1 87 87 GLN H H 356 8.560 8.560 8.335 0.225 17838 2164 1 3 . 1 1 88 88 VAL N N 357 122.080 122.080 126.853 -4.773 17838 2165 1 3 . 1 1 88 88 VAL HA H 357 4.580 4.580 4.603 -0.023 17838 2166 1 3 . 1 1 88 88 VAL C C 357 173.860 173.860 173.755 0.105 17838 2167 1 3 . 1 1 88 88 VAL CA C 357 61.190 61.190 60.624 0.565 17838 2168 1 3 . 1 1 88 88 VAL CB C 357 31.950 31.950 33.524 -1.574 17838 2169 1 3 . 1 1 88 88 VAL H H 357 8.300 8.300 9.045 -0.745 17838 2170 1 3 . 1 1 89 89 VAL N N 358 127.800 127.800 128.999 -1.199 17838 2171 1 3 . 1 1 89 89 VAL HA H 358 4.270 4.270 5.022 -0.752 17838 2172 1 3 . 1 1 89 89 VAL C C 358 174.840 174.840 174.432 0.408 17838 2173 1 3 . 1 1 89 89 VAL CA C 358 61.240 61.240 59.218 2.022 17838 2174 1 3 . 1 1 89 89 VAL CB C 358 33.020 33.020 34.801 -1.781 17838 2175 1 3 . 1 1 89 89 VAL H H 358 9.010 9.010 9.192 -0.182 17838 2176 1 3 . 1 1 90 90 VAL N N 359 129.800 129.800 130.222 -0.422 17838 2177 1 3 . 1 1 90 90 VAL HA H 359 4.490 4.490 4.017 0.473 17838 2178 1 3 . 1 1 90 90 VAL C C 359 173.580 173.580 175.458 -1.878 17838 2179 1 3 . 1 1 90 90 VAL CA C 359 61.480 61.480 62.209 -0.729 17838 2180 1 3 . 1 1 90 90 VAL CB C 359 33.530 33.530 31.105 2.425 17838 2181 1 3 . 1 1 90 90 VAL H H 359 9.120 9.120 8.812 0.308 17838 2182 1 3 . 1 1 91 91 THR N N 360 122.290 122.290 124.321 -2.031 17838 2183 1 3 . 1 1 91 91 THR HA H 360 4.770 4.770 4.546 0.224 17838 2184 1 3 . 1 1 91 91 THR C C 360 173.010 173.010 173.930 -0.920 17838 2185 1 3 . 1 1 91 91 THR CA C 360 61.360 61.360 61.594 -0.234 17838 2186 1 3 . 1 1 91 91 THR CB C 360 70.860 70.860 68.532 2.328 17838 2187 1 3 . 1 1 91 91 THR H H 360 8.750 8.750 8.983 -0.233 17838 2188 1 3 . 1 1 92 92 VAL N N 361 125.180 125.180 127.549 -2.369 17838 2189 1 3 . 1 1 92 92 VAL HA H 361 4.670 4.670 4.088 0.582 17838 2190 1 3 . 1 1 92 92 VAL C C 361 174.220 174.220 174.258 -0.038 17838 2191 1 3 . 1 1 92 92 VAL CA C 361 61.000 61.000 62.913 -1.913 17838 2192 1 3 . 1 1 92 92 VAL CB C 361 31.960 31.960 32.607 -0.647 17838 2193 1 3 . 1 1 92 92 VAL H H 361 8.580 8.580 7.951 0.629 17838 2194 1 3 . 1 1 93 93 LEU N N 362 127.950 127.950 126.570 1.380 17838 2195 1 3 . 1 1 93 93 LEU HA H 362 4.750 4.750 4.630 0.120 17838 2196 1 3 . 1 1 93 93 LEU C C 362 173.470 173.470 174.055 -0.585 17838 2197 1 3 . 1 1 93 93 LEU CA C 362 55.470 55.470 53.945 1.525 17838 2198 1 3 . 1 1 93 93 LEU CB C 362 44.440 44.440 47.059 -2.619 17838 2199 1 3 . 1 1 93 93 LEU H H 362 8.860 8.860 8.319 0.541 17838 2200 1 3 . 1 1 94 94 ASP N N 363 116.580 116.580 119.003 -2.423 17838 2201 1 3 . 1 1 94 94 ASP HA H 363 4.810 4.810 5.271 -0.461 17838 2202 1 3 . 1 1 94 94 ASP C C 363 175.870 175.870 174.873 0.997 17838 2203 1 3 . 1 1 94 94 ASP CA C 363 52.020 52.020 52.493 -0.473 17838 2204 1 3 . 1 1 94 94 ASP CB C 363 44.160 44.160 44.227 -0.067 17838 2205 1 3 . 1 1 94 94 ASP H H 363 8.380 8.380 8.241 0.139 17838 2206 1 3 . 1 1 95 95 TYR N N 364 127.590 127.590 121.418 6.172 17838 2207 1 3 . 1 1 95 95 TYR HA H 364 4.310 4.310 4.802 -0.492 17838 2208 1 3 . 1 1 95 95 TYR C C 364 175.260 175.260 175.500 -0.240 17838 2209 1 3 . 1 1 95 95 TYR CA C 364 59.750 59.750 54.204 5.546 17838 2210 1 3 . 1 1 95 95 TYR CB C 364 39.300 39.300 37.715 1.585 17838 2211 1 3 . 1 1 95 95 TYR H H 364 9.380 9.380 8.970 0.410 17838 2212 1 3 . 1 1 96 96 ASP N N 365 131.500 131.500 122.760 8.740 17838 2213 1 3 . 1 1 96 96 ASP HA H 365 4.590 4.590 4.293 0.297 17838 2214 1 3 . 1 1 96 96 ASP C C 365 172.480 172.480 175.610 -3.130 17838 2215 1 3 . 1 1 96 96 ASP CA C 365 52.630 52.630 55.891 -3.261 17838 2216 1 3 . 1 1 96 96 ASP CB C 365 41.910 41.910 40.740 1.170 17838 2217 1 3 . 1 1 96 96 ASP H H 365 7.800 7.800 8.140 -0.340 17838 2218 1 3 . 1 1 97 97 LYS N N 366 120.720 120.720 123.413 -2.693 17838 2219 1 3 . 1 1 97 97 LYS HA H 366 3.840 3.840 3.966 -0.126 17838 2220 1 3 . 1 1 97 97 LYS C C 366 176.440 176.440 176.168 0.272 17838 2221 1 3 . 1 1 97 97 LYS CA C 366 58.400 58.400 57.136 1.264 17838 2222 1 3 . 1 1 97 97 LYS CB C 366 33.030 33.030 30.486 2.544 17838 2223 1 3 . 1 1 97 97 LYS H H 366 8.030 8.030 8.868 -0.839 17838 2224 1 3 . 1 1 98 98 ILE N N 367 117.460 117.460 114.674 2.786 17838 2225 1 3 . 1 1 98 98 ILE HA H 367 4.080 4.080 3.747 0.333 17838 2226 1 3 . 1 1 98 98 ILE C C 367 176.200 176.200 175.738 0.462 17838 2227 1 3 . 1 1 98 98 ILE CA C 367 60.910 60.910 62.502 -1.593 17838 2228 1 3 . 1 1 98 98 ILE CB C 367 38.440 38.440 35.527 2.913 17838 2229 1 3 . 1 1 98 98 ILE H H 367 7.790 7.790 8.691 -0.901 17838 2230 1 3 . 1 1 99 99 GLY N N 368 113.730 113.730 108.777 4.953 17838 2231 1 3 . 1 1 99 99 GLY C C 368 173.460 173.460 172.595 0.865 17838 2232 1 3 . 1 1 99 99 GLY CA C 368 44.190 44.190 44.936 -0.746 17838 2233 1 3 . 1 1 99 99 GLY H H 368 8.160 8.160 8.027 0.133 17838 2234 1 3 . 1 1 100 100 LYS N N 369 119.980 119.980 121.041 -1.061 17838 2235 1 3 . 1 1 100 100 LYS HA H 369 4.260 4.260 4.623 -0.363 17838 2236 1 3 . 1 1 100 100 LYS C C 369 175.270 175.270 174.699 0.571 17838 2237 1 3 . 1 1 100 100 LYS CA C 369 56.030 56.030 55.378 0.652 17838 2238 1 3 . 1 1 100 100 LYS CB C 369 33.090 33.090 33.640 -0.550 17838 2239 1 3 . 1 1 100 100 LYS H H 369 8.020 8.020 8.282 -0.262 17838 2240 1 3 . 1 1 101 101 ASN N N 370 124.530 124.530 125.130 -0.600 17838 2241 1 3 . 1 1 101 101 ASN HA H 370 5.040 5.040 5.094 -0.054 17838 2242 1 3 . 1 1 101 101 ASN CA C 370 52.230 52.230 51.519 0.711 17838 2243 1 3 . 1 1 101 101 ASN CB C 370 38.490 38.490 42.047 -3.557 17838 2244 1 3 . 1 1 101 101 ASN H H 370 8.730 8.730 8.892 -0.162 17838 2245 1 3 . 1 1 102 102 ASP N N 371 123.520 123.520 118.142 5.378 17838 2246 1 3 . 1 1 102 102 ASP HA H 371 4.590 4.590 4.669 -0.079 17838 2247 1 3 . 1 1 102 102 ASP CA C 371 53.980 53.980 53.561 0.419 17838 2248 1 3 . 1 1 102 102 ASP CB C 371 42.940 42.940 43.268 -0.328 17838 2249 1 3 . 1 1 102 102 ASP H H 371 8.550 8.550 8.357 0.193 17838 2250 1 3 . 1 1 103 103 ALA N N 372 124.120 124.120 122.046 2.074 17838 2251 1 3 . 1 1 103 103 ALA HA H 372 4.210 4.210 4.197 0.013 17838 2252 1 3 . 1 1 103 103 ALA C C 372 177.140 177.140 177.104 0.036 17838 2253 1 3 . 1 1 103 103 ALA CA C 372 52.910 52.910 52.938 -0.028 17838 2254 1 3 . 1 1 103 103 ALA CB C 372 17.740 17.740 17.540 0.200 17838 2255 1 3 . 1 1 103 103 ALA H H 372 8.870 8.870 8.525 0.345 17838 2256 1 3 . 1 1 104 104 ILE N N 373 123.110 123.110 118.861 4.249 17838 2257 1 3 . 1 1 104 104 ILE HA H 373 3.850 3.850 4.290 -0.440 17838 2258 1 3 . 1 1 104 104 ILE C C 373 176.450 176.450 176.037 0.413 17838 2259 1 3 . 1 1 104 104 ILE CA C 373 64.670 64.670 61.223 3.447 17838 2260 1 3 . 1 1 104 104 ILE CB C 373 38.900 38.900 39.649 -0.749 17838 2261 1 3 . 1 1 104 104 ILE H H 373 9.490 9.490 8.597 0.893 17838 2262 1 3 . 1 1 105 105 GLY N N 374 99.210 99.210 107.018 -7.808 17838 2263 1 3 . 1 1 105 105 GLY C C 374 170.160 170.160 171.425 -1.265 17838 2264 1 3 . 1 1 105 105 GLY CA C 374 46.130 46.130 45.754 0.376 17838 2265 1 3 . 1 1 105 105 GLY H H 374 7.310 7.310 7.591 -0.281 17838 2266 1 3 . 1 1 106 106 LYS N N 375 119.580 119.580 119.717 -0.137 17838 2267 1 3 . 1 1 106 106 LYS HA H 375 5.520 5.520 5.295 0.225 17838 2268 1 3 . 1 1 106 106 LYS C C 375 173.600 173.600 174.250 -0.650 17838 2269 1 3 . 1 1 106 106 LYS CA C 375 55.130 55.130 55.462 -0.332 17838 2270 1 3 . 1 1 106 106 LYS CB C 375 39.040 39.040 37.636 1.404 17838 2271 1 3 . 1 1 106 106 LYS H H 375 9.600 9.600 8.767 0.833 17838 2272 1 3 . 1 1 107 107 VAL N N 376 116.620 116.620 119.799 -3.179 17838 2273 1 3 . 1 1 107 107 VAL HA H 376 4.670 4.670 4.299 0.371 17838 2274 1 3 . 1 1 107 107 VAL C C 376 172.040 172.040 172.981 -0.941 17838 2275 1 3 . 1 1 107 107 VAL CA C 376 60.670 60.670 60.456 0.214 17838 2276 1 3 . 1 1 107 107 VAL CB C 376 35.220 35.220 35.429 -0.209 17838 2277 1 3 . 1 1 107 107 VAL H H 376 8.910 8.910 7.980 0.930 17838 2278 1 3 . 1 1 108 108 PHE N N 377 120.920 120.920 122.286 -1.366 17838 2279 1 3 . 1 1 108 108 PHE HA H 377 5.690 5.690 5.431 0.259 17838 2280 1 3 . 1 1 108 108 PHE CA C 377 55.460 55.460 54.608 0.852 17838 2281 1 3 . 1 1 108 108 PHE CB C 377 44.420 44.420 40.889 3.531 17838 2282 1 3 . 1 1 108 108 PHE H H 377 8.560 8.560 7.783 0.777 17838 2283 1 3 . 1 1 109 109 VAL N N 378 108.500 108.500 116.470 -7.970 17838 2284 1 3 . 1 1 109 109 VAL HA H 378 4.150 4.150 4.589 -0.439 17838 2285 1 3 . 1 1 109 109 VAL CA C 378 58.140 58.140 59.351 -1.211 17838 2286 1 3 . 1 1 109 109 VAL CB C 378 33.750 33.750 34.668 -0.918 17838 2287 1 3 . 1 1 109 109 VAL H H 378 8.320 8.320 8.699 -0.379 17838 2288 1 3 . 1 1 110 110 GLY CA C 379 41.340 41.340 44.841 -3.501 17838 2289 1 3 . 1 1 111 111 TYR HA H 380 4.010 4.010 4.229 -0.219 17838 2290 1 3 . 1 1 111 111 TYR CA C 380 59.880 59.880 60.683 -0.803 17838 2291 1 3 . 1 1 111 111 TYR CB C 380 37.860 37.860 39.096 -1.236 17838 2292 1 3 . 1 1 112 112 ASN HA H 381 4.250 4.250 4.427 -0.177 17838 2293 1 3 . 1 1 112 112 ASN CA C 381 54.170 54.170 52.074 2.096 17838 2294 1 3 . 1 1 112 112 ASN CB C 381 37.810 37.810 36.384 1.426 17838 2295 1 3 . 1 1 113 113 SER HA H 382 4.140 4.140 4.806 -0.666 17838 2296 1 3 . 1 1 113 113 SER C C 382 172.760 172.760 174.205 -1.445 17838 2297 1 3 . 1 1 113 113 SER CA C 382 58.610 58.610 56.611 1.999 17838 2298 1 3 . 1 1 113 113 SER CB C 382 64.620 64.620 65.343 -0.723 17838 2299 1 3 . 1 1 114 114 THR N N 383 106.230 106.230 117.660 -11.430 17838 2300 1 3 . 1 1 114 114 THR HA H 383 4.730 4.730 4.386 0.344 17838 2301 1 3 . 1 1 114 114 THR C C 383 176.030 176.030 176.014 0.016 17838 2302 1 3 . 1 1 114 114 THR CA C 383 60.120 60.120 62.654 -2.534 17838 2303 1 3 . 1 1 114 114 THR CB C 383 72.950 72.950 69.537 3.413 17838 2304 1 3 . 1 1 114 114 THR H H 383 7.710 7.710 8.268 -0.558 17838 2305 1 3 . 1 1 115 115 GLY N N 384 108.400 108.400 107.700 0.700 17838 2306 1 3 . 1 1 115 115 GLY C C 384 175.920 175.920 173.885 2.035 17838 2307 1 3 . 1 1 115 115 GLY CA C 384 47.150 47.150 46.175 0.975 17838 2308 1 3 . 1 1 115 115 GLY H H 384 8.840 8.840 8.699 0.141 17838 2309 1 3 . 1 1 116 116 ALA N N 385 129.610 129.610 121.600 8.010 17838 2310 1 3 . 1 1 116 116 ALA HA H 385 4.110 4.110 4.462 -0.352 17838 2311 1 3 . 1 1 116 116 ALA C C 385 179.670 179.670 179.346 0.324 17838 2312 1 3 . 1 1 116 116 ALA CA C 385 54.310 54.310 53.000 1.310 17838 2313 1 3 . 1 1 116 116 ALA CB C 385 18.100 18.100 19.551 -1.451 17838 2314 1 3 . 1 1 116 116 ALA H H 385 9.310 9.310 7.842 1.468 17838 2315 1 3 . 1 1 117 117 GLU N N 386 121.720 121.720 120.880 0.840 17838 2316 1 3 . 1 1 117 117 GLU HA H 386 4.110 4.110 4.319 -0.209 17838 2317 1 3 . 1 1 117 117 GLU C C 386 175.960 175.960 179.171 -3.211 17838 2318 1 3 . 1 1 117 117 GLU CA C 386 62.450 62.450 59.537 2.913 17838 2319 1 3 . 1 1 117 117 GLU CB C 386 29.830 29.830 29.097 0.733 17838 2320 1 3 . 1 1 117 117 GLU H H 386 8.140 8.140 8.361 -0.221 17838 2321 1 3 . 1 1 118 118 LEU N N 387 122.820 122.820 121.457 1.363 17838 2322 1 3 . 1 1 118 118 LEU HA H 387 4.140 4.140 4.249 -0.109 17838 2323 1 3 . 1 1 118 118 LEU C C 387 179.580 179.580 178.522 1.058 17838 2324 1 3 . 1 1 118 118 LEU CA C 387 56.900 56.900 58.266 -1.366 17838 2325 1 3 . 1 1 118 118 LEU CB C 387 40.270 40.270 41.794 -1.524 17838 2326 1 3 . 1 1 118 118 LEU H H 387 6.570 6.570 8.036 -1.466 17838 2327 1 3 . 1 1 119 119 ARG N N 388 119.950 119.950 118.973 0.977 17838 2328 1 3 . 1 1 119 119 ARG HA H 388 4.090 4.090 4.021 0.069 17838 2329 1 3 . 1 1 119 119 ARG C C 388 177.240 177.240 177.976 -0.736 17838 2330 1 3 . 1 1 119 119 ARG CA C 388 59.220 59.220 59.569 -0.349 17838 2331 1 3 . 1 1 119 119 ARG CB C 388 29.990 29.990 30.018 -0.028 17838 2332 1 3 . 1 1 119 119 ARG H H 388 8.120 8.120 7.944 0.176 17838 2333 1 3 . 1 1 120 120 HIS N N 389 118.040 118.040 118.150 -0.110 17838 2334 1 3 . 1 1 120 120 HIS HA H 389 4.560 4.560 4.706 -0.146 17838 2335 1 3 . 1 1 120 120 HIS CA C 389 57.520 57.520 57.659 -0.139 17838 2336 1 3 . 1 1 120 120 HIS CB C 389 32.980 32.980 30.109 2.871 17838 2337 1 3 . 1 1 120 120 HIS H H 389 7.510 7.510 8.027 -0.517 17838 2338 1 3 . 1 1 121 121 TRP N N 390 118.700 118.700 121.581 -2.881 17838 2339 1 3 . 1 1 121 121 TRP HA H 390 4.010 4.010 4.349 -0.339 17838 2340 1 3 . 1 1 121 121 TRP C C 390 176.900 176.900 177.319 -0.419 17838 2341 1 3 . 1 1 121 121 TRP CA C 390 60.240 60.240 60.864 -0.624 17838 2342 1 3 . 1 1 121 121 TRP CB C 390 30.800 30.800 29.803 0.997 17838 2343 1 3 . 1 1 121 121 TRP H H 390 7.650 7.650 8.631 -0.981 17838 2344 1 3 . 1 1 122 122 SER N N 391 113.110 113.110 111.215 1.895 17838 2345 1 3 . 1 1 122 122 SER HA H 391 4.010 4.010 4.503 -0.493 17838 2346 1 3 . 1 1 122 122 SER C C 391 177.460 177.460 173.761 3.699 17838 2347 1 3 . 1 1 122 122 SER CA C 391 61.970 61.970 59.562 2.408 17838 2348 1 3 . 1 1 122 122 SER CB C 391 62.490 62.490 62.696 -0.206 17838 2349 1 3 . 1 1 122 122 SER H H 391 9.060 9.060 8.385 0.675 17838 2350 1 3 . 1 1 123 123 ASP N N 392 123.980 123.980 118.920 5.060 17838 2351 1 3 . 1 1 123 123 ASP HA H 392 4.380 4.380 4.700 -0.320 17838 2352 1 3 . 1 1 123 123 ASP C C 392 178.830 178.830 176.311 2.519 17838 2353 1 3 . 1 1 123 123 ASP CA C 392 57.570 57.570 55.549 2.021 17838 2354 1 3 . 1 1 123 123 ASP CB C 392 40.040 40.040 42.045 -2.005 17838 2355 1 3 . 1 1 123 123 ASP H H 392 8.870 8.870 8.069 0.801 17838 2356 1 3 . 1 1 124 124 MET N N 393 121.910 121.910 118.879 3.031 17838 2357 1 3 . 1 1 124 124 MET HA H 393 3.970 3.970 4.641 -0.671 17838 2358 1 3 . 1 1 124 124 MET C C 393 179.000 179.000 175.986 3.014 17838 2359 1 3 . 1 1 124 124 MET CA C 393 59.350 59.350 55.993 3.357 17838 2360 1 3 . 1 1 124 124 MET CB C 393 32.590 32.590 34.666 -2.076 17838 2361 1 3 . 1 1 124 124 MET H H 393 7.960 7.960 8.150 -0.190 17838 2362 1 3 . 1 1 125 125 LEU N N 394 118.500 118.500 114.521 3.979 17838 2363 1 3 . 1 1 125 125 LEU HA H 394 3.890 3.890 4.922 -1.032 17838 2364 1 3 . 1 1 125 125 LEU C C 394 178.170 178.170 177.142 1.028 17838 2365 1 3 . 1 1 125 125 LEU CA C 394 56.880 56.880 53.821 3.059 17838 2366 1 3 . 1 1 125 125 LEU CB C 394 41.730 41.730 40.894 0.836 17838 2367 1 3 . 1 1 125 125 LEU H H 394 7.610 7.610 7.237 0.373 17838 2368 1 3 . 1 1 126 126 ALA N N 395 118.600 118.600 120.169 -1.569 17838 2369 1 3 . 1 1 126 126 ALA HA H 395 4.220 4.220 4.078 0.142 17838 2370 1 3 . 1 1 126 126 ALA C C 395 176.770 176.770 176.809 -0.039 17838 2371 1 3 . 1 1 126 126 ALA CA C 395 52.850 52.850 53.492 -0.642 17838 2372 1 3 . 1 1 126 126 ALA CB C 395 19.460 19.460 19.006 0.454 17838 2373 1 3 . 1 1 126 126 ALA H H 395 7.850 7.850 7.857 -0.007 17838 2374 1 3 . 1 1 127 127 ASN N N 396 115.840 115.840 115.341 0.499 17838 2375 1 3 . 1 1 127 127 ASN HA H 396 5.100 5.100 4.879 0.221 17838 2376 1 3 . 1 1 127 127 ASN CA C 396 51.110 51.110 53.263 -2.153 17838 2377 1 3 . 1 1 127 127 ASN CB C 396 40.740 40.740 38.558 2.182 17838 2378 1 3 . 1 1 127 127 ASN H H 396 7.150 7.150 8.183 -1.033 17838 2379 1 3 . 1 1 128 128 PRO HA H 397 4.750 4.750 4.459 0.291 17838 2380 1 3 . 1 1 128 128 PRO C C 397 177.390 177.390 175.971 1.419 17838 2381 1 3 . 1 1 128 128 PRO CA C 397 63.910 63.910 63.291 0.619 17838 2382 1 3 . 1 1 128 128 PRO CB C 397 32.250 32.250 32.145 0.105 17838 2383 1 3 . 1 1 129 129 ARG N N 398 111.560 111.560 115.764 -4.204 17838 2384 1 3 . 1 1 129 129 ARG HA H 398 3.530 3.530 4.794 -1.264 17838 2385 1 3 . 1 1 129 129 ARG C C 398 174.880 174.880 175.382 -0.502 17838 2386 1 3 . 1 1 129 129 ARG CA C 398 58.750 58.750 54.478 4.271 17838 2387 1 3 . 1 1 129 129 ARG CB C 398 29.040 29.040 30.310 -1.270 17838 2388 1 3 . 1 1 129 129 ARG H H 398 8.300 8.300 8.495 -0.195 17838 2389 1 3 . 1 1 130 130 ARG N N 399 120.840 120.840 122.614 -1.774 17838 2390 1 3 . 1 1 130 130 ARG HA H 399 4.800 4.800 4.591 0.209 17838 2391 1 3 . 1 1 130 130 ARG CA C 399 53.050 53.050 52.551 0.499 17838 2392 1 3 . 1 1 130 130 ARG CB C 399 31.420 31.420 29.409 2.011 17838 2393 1 3 . 1 1 130 130 ARG H H 399 7.980 7.980 8.208 -0.228 17838 2394 1 3 . 1 1 131 131 PRO HA H 400 4.810 4.810 4.550 0.260 17838 2395 1 3 . 1 1 131 131 PRO C C 400 176.610 176.610 175.394 1.216 17838 2396 1 3 . 1 1 131 131 PRO CA C 400 61.490 61.490 62.572 -1.082 17838 2397 1 3 . 1 1 131 131 PRO CB C 400 43.560 43.560 30.934 12.626 17838 2398 1 3 . 1 1 132 132 ILE N N 401 123.900 123.900 124.494 -0.594 17838 2399 1 3 . 1 1 132 132 ILE HA H 401 4.530 4.530 4.264 0.266 17838 2400 1 3 . 1 1 132 132 ILE C C 401 176.480 176.480 175.410 1.070 17838 2401 1 3 . 1 1 132 132 ILE CA C 401 58.360 58.360 59.296 -0.936 17838 2402 1 3 . 1 1 132 132 ILE CB C 401 39.250 39.250 36.336 2.914 17838 2403 1 3 . 1 1 132 132 ILE H H 401 9.000 9.000 8.051 0.949 17838 2404 1 3 . 1 1 133 133 ALA N N 402 137.830 137.830 131.450 6.380 17838 2405 1 3 . 1 1 133 133 ALA HA H 402 4.920 4.920 4.846 0.074 17838 2406 1 3 . 1 1 133 133 ALA C C 402 175.260 175.260 176.669 -1.409 17838 2407 1 3 . 1 1 133 133 ALA CA C 402 51.090 51.090 51.586 -0.496 17838 2408 1 3 . 1 1 133 133 ALA CB C 402 20.360 20.360 20.087 0.273 17838 2409 1 3 . 1 1 133 133 ALA H H 402 9.560 9.560 8.508 1.052 17838 2410 1 3 . 1 1 134 134 GLN N N 403 119.730 119.730 122.183 -2.453 17838 2411 1 3 . 1 1 134 134 GLN HA H 403 4.020 4.020 4.663 -0.643 17838 2412 1 3 . 1 1 134 134 GLN C C 403 173.700 173.700 174.903 -1.203 17838 2413 1 3 . 1 1 134 134 GLN CA C 403 55.050 55.050 54.279 0.771 17838 2414 1 3 . 1 1 134 134 GLN CB C 403 32.660 32.660 32.090 0.570 17838 2415 1 3 . 1 1 134 134 GLN H H 403 7.620 7.620 8.499 -0.879 17838 2416 1 3 . 1 1 135 135 TRP N N 404 123.420 123.420 122.454 0.966 17838 2417 1 3 . 1 1 135 135 TRP HA H 404 4.510 4.510 5.296 -0.786 17838 2418 1 3 . 1 1 135 135 TRP C C 404 176.280 176.280 175.101 1.179 17838 2419 1 3 . 1 1 135 135 TRP CA C 404 57.880 57.880 55.290 2.590 17838 2420 1 3 . 1 1 135 135 TRP CB C 404 30.110 30.110 30.777 -0.667 17838 2421 1 3 . 1 1 135 135 TRP H H 404 8.310 8.310 8.145 0.165 17838 2422 1 3 . 1 1 136 136 HIS N N 405 117.210 117.210 123.302 -6.092 17838 2423 1 3 . 1 1 136 136 HIS HA H 405 4.810 4.810 4.851 -0.041 17838 2424 1 3 . 1 1 136 136 HIS C C 405 173.490 173.490 174.794 -1.304 17838 2425 1 3 . 1 1 136 136 HIS CA C 405 55.160 55.160 55.926 -0.766 17838 2426 1 3 . 1 1 136 136 HIS CB C 405 33.410 33.410 33.468 -0.058 17838 2427 1 3 . 1 1 136 136 HIS H H 405 9.470 9.470 8.264 1.206 17838 2428 1 3 . 1 1 137 137 THR N N 406 122.780 122.780 117.730 5.050 17838 2429 1 3 . 1 1 137 137 THR HA H 406 4.840 4.840 4.528 0.312 17838 2430 1 3 . 1 1 137 137 THR C C 406 174.350 174.350 174.148 0.202 17838 2431 1 3 . 1 1 137 137 THR CA C 406 62.650 62.650 62.529 0.121 17838 2432 1 3 . 1 1 137 137 THR CB C 406 70.330 70.330 69.255 1.075 17838 2433 1 3 . 1 1 137 137 THR H H 406 9.430 9.430 8.117 1.313 17838 2434 1 3 . 1 1 138 138 LEU N N 407 124.890 124.890 123.465 1.425 17838 2435 1 3 . 1 1 138 138 LEU HA H 407 3.910 3.910 4.528 -0.618 17838 2436 1 3 . 1 1 138 138 LEU C C 407 175.480 175.480 176.680 -1.200 17838 2437 1 3 . 1 1 138 138 LEU CA C 407 55.950 55.950 53.894 2.056 17838 2438 1 3 . 1 1 138 138 LEU CB C 407 43.050 43.050 44.055 -1.005 17838 2439 1 3 . 1 1 138 138 LEU H H 407 8.730 8.730 8.674 0.056 17838 2440 1 3 . 1 1 139 139 GLN N N 408 119.630 119.630 118.710 0.920 17838 2441 1 3 . 1 1 139 139 GLN HA H 408 4.680 4.680 4.766 -0.086 17838 2442 1 3 . 1 1 139 139 GLN C C 408 175.100 175.100 175.818 -0.718 17838 2443 1 3 . 1 1 139 139 GLN CA C 408 53.830 53.830 53.760 0.070 17838 2444 1 3 . 1 1 139 139 GLN CB C 408 32.150 32.150 30.882 1.268 17838 2445 1 3 . 1 1 139 139 GLN H H 408 8.470 8.470 8.751 -0.281 17838 2446 1 3 . 1 1 140 140 VAL N N 409 119.820 119.820 116.447 3.373 17838 2447 1 3 . 1 1 140 140 VAL HA H 409 3.850 3.850 4.228 -0.378 17838 2448 1 3 . 1 1 140 140 VAL C C 409 178.020 178.020 176.806 1.214 17838 2449 1 3 . 1 1 140 140 VAL CA C 409 63.130 63.130 61.012 2.118 17838 2450 1 3 . 1 1 140 140 VAL CB C 409 32.500 32.500 32.958 -0.458 17838 2451 1 3 . 1 1 140 140 VAL H H 409 8.410 8.410 8.330 0.080 17838 2452 1 3 . 1 1 141 141 GLU N N 410 127.170 127.170 121.409 5.761 17838 2453 1 3 . 1 1 141 141 GLU HA H 410 3.490 3.490 4.032 -0.542 17838 2454 1 3 . 1 1 141 141 GLU C C 410 176.850 176.850 178.852 -2.002 17838 2455 1 3 . 1 1 141 141 GLU CA C 410 60.610 60.610 59.857 0.753 17838 2456 1 3 . 1 1 141 141 GLU CB C 410 29.530 29.530 29.315 0.215 17838 2457 1 3 . 1 1 141 141 GLU H H 410 8.940 8.940 9.013 -0.073 17838 2458 1 3 . 1 1 142 142 GLU N N 411 115.780 115.780 118.259 -2.479 17838 2459 1 3 . 1 1 142 142 GLU HA H 411 3.950 3.950 4.093 -0.143 17838 2460 1 3 . 1 1 142 142 GLU C C 411 179.050 179.050 178.966 0.084 17838 2461 1 3 . 1 1 142 142 GLU CA C 411 59.920 59.920 59.045 0.875 17838 2462 1 3 . 1 1 142 142 GLU CB C 411 28.940 28.940 28.968 -0.028 17838 2463 1 3 . 1 1 142 142 GLU H H 411 9.070 9.070 8.879 0.191 17838 2464 1 3 . 1 1 143 143 GLU N N 412 118.520 118.520 119.078 -0.558 17838 2465 1 3 . 1 1 143 143 GLU HA H 412 4.050 4.050 4.236 -0.186 17838 2466 1 3 . 1 1 143 143 GLU C C 412 178.870 178.870 179.267 -0.397 17838 2467 1 3 . 1 1 143 143 GLU CA C 412 58.590 58.590 58.456 0.134 17838 2468 1 3 . 1 1 143 143 GLU CB C 412 29.190 29.190 29.712 -0.522 17838 2469 1 3 . 1 1 143 143 GLU H H 412 7.080 7.080 7.489 -0.409 17838 2470 1 3 . 1 1 144 144 VAL N N 413 121.110 121.110 120.627 0.483 17838 2471 1 3 . 1 1 144 144 VAL HA H 413 3.680 3.680 3.931 -0.251 17838 2472 1 3 . 1 1 144 144 VAL C C 413 177.970 177.970 178.308 -0.338 17838 2473 1 3 . 1 1 144 144 VAL CA C 413 66.140 66.140 65.071 1.069 17838 2474 1 3 . 1 1 144 144 VAL CB C 413 31.620 31.620 31.727 -0.106 17838 2475 1 3 . 1 1 144 144 VAL H H 413 7.550 7.550 7.533 0.017 17838 2476 1 3 . 1 1 145 145 ASP N N 414 120.040 120.040 121.485 -1.445 17838 2477 1 3 . 1 1 145 145 ASP HA H 414 4.020 4.020 4.346 -0.326 17838 2478 1 3 . 1 1 145 145 ASP C C 414 178.910 178.910 176.703 2.207 17838 2479 1 3 . 1 1 145 145 ASP CA C 414 57.620 57.620 57.233 0.387 17838 2480 1 3 . 1 1 145 145 ASP CB C 414 38.690 38.690 40.904 -2.214 17838 2481 1 3 . 1 1 145 145 ASP H H 414 8.660 8.660 8.626 0.034 17838 2482 1 3 . 1 1 146 146 ALA N N 415 121.010 121.010 118.491 2.519 17838 2483 1 3 . 1 1 146 146 ALA HA H 415 4.020 4.020 4.544 -0.524 17838 2484 1 3 . 1 1 146 146 ALA C C 415 179.930 179.930 177.747 2.183 17838 2485 1 3 . 1 1 146 146 ALA CA C 415 54.820 54.820 52.229 2.591 17838 2486 1 3 . 1 1 146 146 ALA CB C 415 17.910 17.910 19.260 -1.350 17838 2487 1 3 . 1 1 146 146 ALA H H 415 7.270 7.270 7.345 -0.075 17838 2488 1 3 . 1 1 147 147 MET N N 416 116.980 116.980 118.029 -1.049 17838 2489 1 3 . 1 1 147 147 MET HA H 416 4.150 4.150 4.506 -0.356 17838 2490 1 3 . 1 1 147 147 MET C C 416 177.990 177.990 175.935 2.055 17838 2491 1 3 . 1 1 147 147 MET CA C 416 57.600 57.600 54.040 3.560 17838 2492 1 3 . 1 1 147 147 MET CB C 416 33.140 33.140 33.628 -0.488 17838 2493 1 3 . 1 1 147 147 MET H H 416 7.410 7.410 7.804 -0.394 17838 2494 1 3 . 1 1 148 148 LEU N N 417 118.550 118.550 116.558 1.992 17838 2495 1 3 . 1 1 148 148 LEU HA H 417 3.540 3.540 4.471 -0.931 17838 2496 1 3 . 1 1 148 148 LEU C C 417 176.810 176.810 176.357 0.453 17838 2497 1 3 . 1 1 148 148 LEU CA C 417 55.670 55.670 55.285 0.385 17838 2498 1 3 . 1 1 148 148 LEU CB C 417 42.650 42.650 41.569 1.081 17838 2499 1 3 . 1 1 148 148 LEU H H 417 7.560 7.560 7.261 0.299 17838 2500 1 3 . 1 1 149 149 ALA N N 418 119.940 119.940 122.831 -2.891 17838 2501 1 3 . 1 1 149 149 ALA HA H 418 4.010 4.010 4.202 -0.192 17838 2502 1 3 . 1 1 149 149 ALA C C 418 177.010 177.010 177.081 -0.071 17838 2503 1 3 . 1 1 149 149 ALA CA C 418 52.310 52.310 51.605 0.705 17838 2504 1 3 . 1 1 149 149 ALA CB C 418 18.700 18.700 18.128 0.572 17838 2505 1 3 . 1 1 149 149 ALA H H 418 7.080 7.080 7.799 -0.719 17838 2506 1 3 . 1 1 150 150 VAL N N 419 118.810 118.810 121.588 -2.778 17838 2507 1 3 . 1 1 150 150 VAL HA H 419 3.840 3.840 3.692 0.148 17838 2508 1 3 . 1 1 150 150 VAL C C 419 175.760 175.760 176.117 -0.357 17838 2509 1 3 . 1 1 150 150 VAL CA C 419 62.930 62.930 63.650 -0.720 17838 2510 1 3 . 1 1 150 150 VAL CB C 419 32.450 32.450 30.478 1.972 17838 2511 1 3 . 1 1 150 150 VAL H H 419 7.560 7.560 8.114 -0.554 17838 2512 1 3 . 1 1 151 151 LYS N N 420 126.620 126.620 122.293 4.327 17838 2513 1 3 . 1 1 151 151 LYS HA H 420 4.260 4.260 4.203 0.057 17838 2514 1 3 . 1 1 151 151 LYS C C 420 175.210 175.210 175.759 -0.549 17838 2515 1 3 . 1 1 151 151 LYS CA C 420 56.050 56.050 56.517 -0.467 17838 2516 1 3 . 1 1 151 151 LYS CB C 420 33.050 33.050 33.860 -0.810 17838 2517 1 3 . 1 1 151 151 LYS H H 420 8.290 8.290 8.687 -0.397 17838 2518 1 4 . 1 1 3 3 LYS N N 272 123.800 123.800 119.492 4.308 17838 2519 1 4 . 1 1 3 3 LYS HA H 272 4.190 4.190 3.928 0.262 17838 2520 1 4 . 1 1 3 3 LYS C C 272 176.410 176.410 175.362 1.048 17838 2521 1 4 . 1 1 3 3 LYS CA C 272 56.160 56.160 57.212 -1.052 17838 2522 1 4 . 1 1 3 3 LYS CB C 272 31.950 31.950 31.248 0.702 17838 2523 1 4 . 1 1 3 3 LYS H H 272 8.470 8.470 8.564 -0.094 17838 2524 1 4 . 1 1 4 4 LEU N N 273 125.150 125.150 116.459 8.691 17838 2525 1 4 . 1 1 4 4 LEU HA H 273 4.200 4.200 4.781 -0.581 17838 2526 1 4 . 1 1 4 4 LEU C C 273 175.130 175.130 176.106 -0.976 17838 2527 1 4 . 1 1 4 4 LEU CA C 273 55.940 55.940 54.574 1.366 17838 2528 1 4 . 1 1 4 4 LEU CB C 273 43.330 43.330 43.384 -0.054 17838 2529 1 4 . 1 1 4 4 LEU H H 273 8.610 8.610 8.187 0.423 17838 2530 1 4 . 1 1 5 5 GLY N N 274 102.380 102.380 104.954 -2.574 17838 2531 1 4 . 1 1 5 5 GLY C C 274 171.630 171.630 172.272 -0.642 17838 2532 1 4 . 1 1 5 5 GLY CA C 274 44.480 44.480 45.614 -1.134 17838 2533 1 4 . 1 1 5 5 GLY H H 274 7.170 7.170 7.576 -0.406 17838 2534 1 4 . 1 1 6 6 ASP N N 275 116.430 116.430 126.465 -10.035 17838 2535 1 4 . 1 1 6 6 ASP HA H 275 5.760 5.760 5.392 0.368 17838 2536 1 4 . 1 1 6 6 ASP C C 275 174.880 174.880 174.175 0.705 17838 2537 1 4 . 1 1 6 6 ASP CA C 275 53.160 53.160 54.509 -1.349 17838 2538 1 4 . 1 1 6 6 ASP CB C 275 45.720 45.720 43.614 2.107 17838 2539 1 4 . 1 1 6 6 ASP H H 275 8.500 8.500 8.364 0.136 17838 2540 1 4 . 1 1 7 7 ILE N N 276 118.640 118.640 123.254 -4.614 17838 2541 1 4 . 1 1 7 7 ILE HA H 276 5.220 5.220 4.416 0.804 17838 2542 1 4 . 1 1 7 7 ILE C C 276 173.900 173.900 173.952 -0.052 17838 2543 1 4 . 1 1 7 7 ILE CA C 276 58.730 58.730 59.962 -1.232 17838 2544 1 4 . 1 1 7 7 ILE CB C 276 43.680 43.680 43.293 0.387 17838 2545 1 4 . 1 1 7 7 ILE H H 276 9.930 9.930 8.285 1.645 17838 2546 1 4 . 1 1 8 8 CYS N N 277 128.550 128.550 126.174 2.376 17838 2547 1 4 . 1 1 8 8 CYS HA H 277 4.560 4.560 4.921 -0.361 17838 2548 1 4 . 1 1 8 8 CYS C C 277 173.900 173.900 173.487 0.413 17838 2549 1 4 . 1 1 8 8 CYS CA C 277 56.340 56.340 56.407 -0.067 17838 2550 1 4 . 1 1 8 8 CYS CB C 277 25.930 25.930 27.247 -1.317 17838 2551 1 4 . 1 1 8 8 CYS H H 277 8.920 8.920 8.703 0.217 17838 2552 1 4 . 1 1 9 9 PHE N N 278 121.320 121.320 125.425 -4.105 17838 2553 1 4 . 1 1 9 9 PHE HA H 278 5.330 5.330 5.076 0.254 17838 2554 1 4 . 1 1 9 9 PHE C C 278 173.180 173.180 174.330 -1.150 17838 2555 1 4 . 1 1 9 9 PHE CA C 278 54.720 54.720 54.623 0.097 17838 2556 1 4 . 1 1 9 9 PHE CB C 278 43.080 43.080 40.605 2.475 17838 2557 1 4 . 1 1 9 9 PHE H H 278 7.650 7.650 7.656 -0.006 17838 2558 1 4 . 1 1 10 10 SER N N 279 116.160 116.160 117.114 -0.954 17838 2559 1 4 . 1 1 10 10 SER HA H 279 5.870 5.870 5.113 0.757 17838 2560 1 4 . 1 1 10 10 SER C C 279 172.820 172.820 173.927 -1.107 17838 2561 1 4 . 1 1 10 10 SER CA C 279 54.990 54.990 57.689 -2.699 17838 2562 1 4 . 1 1 10 10 SER CB C 279 66.260 66.260 63.989 2.271 17838 2563 1 4 . 1 1 10 10 SER H H 279 9.920 9.920 9.203 0.717 17838 2564 1 4 . 1 1 11 11 LEU N N 280 121.460 121.460 127.323 -5.863 17838 2565 1 4 . 1 1 11 11 LEU HA H 280 5.100 5.100 4.667 0.433 17838 2566 1 4 . 1 1 11 11 LEU C C 280 174.900 174.900 175.582 -0.682 17838 2567 1 4 . 1 1 11 11 LEU CA C 280 53.020 53.020 54.285 -1.264 17838 2568 1 4 . 1 1 11 11 LEU CB C 280 46.790 46.790 40.539 6.251 17838 2569 1 4 . 1 1 11 11 LEU H H 280 8.270 8.270 8.121 0.149 17838 2570 1 4 . 1 1 12 12 ARG N N 281 120.480 120.480 120.762 -0.282 17838 2571 1 4 . 1 1 12 12 ARG HA H 281 4.740 4.740 4.614 0.126 17838 2572 1 4 . 1 1 12 12 ARG C C 281 173.410 173.410 173.481 -0.071 17838 2573 1 4 . 1 1 12 12 ARG CA C 281 54.810 54.810 54.841 -0.031 17838 2574 1 4 . 1 1 12 12 ARG CB C 281 34.560 34.560 33.106 1.454 17838 2575 1 4 . 1 1 12 12 ARG H H 281 8.240 8.240 8.169 0.071 17838 2576 1 4 . 1 1 13 13 TYR N N 282 127.490 127.490 121.042 6.448 17838 2577 1 4 . 1 1 13 13 TYR HA H 282 5.490 5.490 4.748 0.742 17838 2578 1 4 . 1 1 13 13 TYR C C 282 174.270 174.270 173.747 0.523 17838 2579 1 4 . 1 1 13 13 TYR CA C 282 56.410 56.410 56.339 0.071 17838 2580 1 4 . 1 1 13 13 TYR CB C 282 39.740 39.740 43.040 -3.300 17838 2581 1 4 . 1 1 13 13 TYR H H 282 9.370 9.370 8.799 0.571 17838 2582 1 4 . 1 1 14 14 VAL N N 283 127.660 127.660 123.175 4.485 17838 2583 1 4 . 1 1 14 14 VAL HA H 283 4.240 4.240 4.398 -0.158 17838 2584 1 4 . 1 1 14 14 VAL CA C 283 58.700 58.700 58.991 -0.291 17838 2585 1 4 . 1 1 14 14 VAL CB C 283 32.450 32.450 31.829 0.621 17838 2586 1 4 . 1 1 14 14 VAL H H 283 7.480 7.480 7.566 -0.086 17838 2587 1 4 . 1 1 15 15 PRO HA H 284 3.780 3.780 4.386 -0.606 17838 2588 1 4 . 1 1 15 15 PRO C C 284 178.150 178.150 176.887 1.263 17838 2589 1 4 . 1 1 15 15 PRO CA C 284 65.540 65.540 64.729 0.811 17838 2590 1 4 . 1 1 15 15 PRO CB C 284 32.360 32.360 31.422 0.938 17838 2591 1 4 . 1 1 16 16 THR N N 285 109.040 109.040 111.139 -2.099 17838 2592 1 4 . 1 1 16 16 THR HA H 285 3.850 3.850 4.318 -0.468 17838 2593 1 4 . 1 1 16 16 THR C C 285 174.880 174.880 174.248 0.632 17838 2594 1 4 . 1 1 16 16 THR CA C 285 64.490 64.490 62.975 1.515 17838 2595 1 4 . 1 1 16 16 THR CB C 285 68.150 68.150 68.222 -0.072 17838 2596 1 4 . 1 1 16 16 THR H H 285 7.690 7.690 7.723 -0.033 17838 2597 1 4 . 1 1 17 17 ALA N N 286 119.760 119.760 122.557 -2.797 17838 2598 1 4 . 1 1 17 17 ALA HA H 286 4.380 4.380 4.479 -0.099 17838 2599 1 4 . 1 1 17 17 ALA C C 286 177.040 177.040 176.879 0.161 17838 2600 1 4 . 1 1 17 17 ALA CA C 286 51.450 51.450 52.240 -0.790 17838 2601 1 4 . 1 1 17 17 ALA CB C 286 20.320 20.320 20.737 -0.417 17838 2602 1 4 . 1 1 17 17 ALA H H 286 6.520 6.520 7.403 -0.883 17838 2603 1 4 . 1 1 18 18 GLY N N 287 109.040 109.040 109.136 -0.096 17838 2604 1 4 . 1 1 18 18 GLY C C 287 173.990 173.990 172.766 1.224 17838 2605 1 4 . 1 1 18 18 GLY CA C 287 47.150 47.150 45.003 2.147 17838 2606 1 4 . 1 1 18 18 GLY H H 287 7.690 7.690 8.376 -0.686 17838 2607 1 4 . 1 1 19 19 LYS N N 288 117.030 117.030 116.039 0.991 17838 2608 1 4 . 1 1 19 19 LYS HA H 288 4.890 4.890 4.850 0.040 17838 2609 1 4 . 1 1 19 19 LYS C C 288 173.910 173.910 174.238 -0.328 17838 2610 1 4 . 1 1 19 19 LYS CA C 288 55.100 55.100 54.546 0.554 17838 2611 1 4 . 1 1 19 19 LYS CB C 288 35.520 35.520 35.951 -0.431 17838 2612 1 4 . 1 1 19 19 LYS H H 288 6.630 6.630 7.090 -0.460 17838 2613 1 4 . 1 1 20 20 LEU N N 289 131.970 131.970 122.492 9.478 17838 2614 1 4 . 1 1 20 20 LEU HA H 289 5.480 5.480 4.573 0.907 17838 2615 1 4 . 1 1 20 20 LEU C C 289 174.750 174.750 176.527 -1.777 17838 2616 1 4 . 1 1 20 20 LEU CA C 289 53.620 53.620 55.541 -1.921 17838 2617 1 4 . 1 1 20 20 LEU CB C 289 45.840 45.840 43.461 2.379 17838 2618 1 4 . 1 1 20 20 LEU H H 289 9.260 9.260 9.105 0.155 17838 2619 1 4 . 1 1 21 21 THR N N 290 124.180 124.180 119.400 4.780 17838 2620 1 4 . 1 1 21 21 THR HA H 290 5.260 5.260 4.959 0.301 17838 2621 1 4 . 1 1 21 21 THR C C 290 173.650 173.650 173.754 -0.104 17838 2622 1 4 . 1 1 21 21 THR CA C 290 62.070 62.070 62.173 -0.103 17838 2623 1 4 . 1 1 21 21 THR CB C 290 70.920 70.920 69.417 1.503 17838 2624 1 4 . 1 1 21 21 THR H H 290 9.770 9.770 8.201 1.569 17838 2625 1 4 . 1 1 22 22 VAL N N 291 129.970 129.970 128.713 1.257 17838 2626 1 4 . 1 1 22 22 VAL HA H 291 5.010 5.010 4.397 0.613 17838 2627 1 4 . 1 1 22 22 VAL C C 291 174.510 174.510 175.343 -0.833 17838 2628 1 4 . 1 1 22 22 VAL CA C 291 59.970 59.970 62.016 -2.046 17838 2629 1 4 . 1 1 22 22 VAL CB C 291 34.900 34.900 32.538 2.362 17838 2630 1 4 . 1 1 22 22 VAL H H 291 9.510 9.510 8.776 0.734 17838 2631 1 4 . 1 1 23 23 VAL N N 292 125.670 125.670 125.693 -0.023 17838 2632 1 4 . 1 1 23 23 VAL HA H 292 4.830 4.830 5.291 -0.461 17838 2633 1 4 . 1 1 23 23 VAL C C 292 177.610 177.610 175.266 2.344 17838 2634 1 4 . 1 1 23 23 VAL CA C 292 60.370 60.370 60.134 0.236 17838 2635 1 4 . 1 1 23 23 VAL CB C 292 32.230 32.230 32.967 -0.737 17838 2636 1 4 . 1 1 23 23 VAL H H 292 8.650 8.650 8.300 0.350 17838 2637 1 4 . 1 1 24 24 ILE N N 293 125.630 125.630 128.360 -2.730 17838 2638 1 4 . 1 1 24 24 ILE HA H 293 4.010 4.010 4.479 -0.469 17838 2639 1 4 . 1 1 24 24 ILE C C 293 175.140 175.140 175.972 -0.832 17838 2640 1 4 . 1 1 24 24 ILE CA C 293 58.560 58.560 61.154 -2.594 17838 2641 1 4 . 1 1 24 24 ILE CB C 293 34.580 34.580 38.330 -3.750 17838 2642 1 4 . 1 1 24 24 ILE H H 293 9.100 9.100 8.786 0.314 17838 2643 1 4 . 1 1 25 25 LEU N N 294 130.570 130.570 128.798 1.772 17838 2644 1 4 . 1 1 25 25 LEU HA H 294 4.110 4.110 4.415 -0.305 17838 2645 1 4 . 1 1 25 25 LEU C C 294 175.250 175.250 176.964 -1.714 17838 2646 1 4 . 1 1 25 25 LEU CA C 294 58.210 58.210 56.801 1.409 17838 2647 1 4 . 1 1 25 25 LEU CB C 294 41.470 41.470 42.583 -1.113 17838 2648 1 4 . 1 1 25 25 LEU H H 294 8.260 8.260 8.379 -0.119 17838 2649 1 4 . 1 1 26 26 GLU N N 295 111.970 111.970 112.126 -0.156 17838 2650 1 4 . 1 1 26 26 GLU HA H 295 5.050 5.050 5.224 -0.174 17838 2651 1 4 . 1 1 26 26 GLU C C 295 172.250 172.250 174.538 -2.288 17838 2652 1 4 . 1 1 26 26 GLU CA C 295 54.970 54.970 54.803 0.167 17838 2653 1 4 . 1 1 26 26 GLU CB C 295 32.990 32.990 33.330 -0.340 17838 2654 1 4 . 1 1 26 26 GLU H H 295 7.490 7.490 7.670 -0.180 17838 2655 1 4 . 1 1 27 27 ALA N N 296 121.530 121.530 120.382 1.148 17838 2656 1 4 . 1 1 27 27 ALA HA H 296 5.550 5.550 4.584 0.966 17838 2657 1 4 . 1 1 27 27 ALA C C 296 174.560 174.560 175.474 -0.914 17838 2658 1 4 . 1 1 27 27 ALA CA C 296 50.780 50.780 51.325 -0.545 17838 2659 1 4 . 1 1 27 27 ALA CB C 296 22.690 22.690 22.422 0.268 17838 2660 1 4 . 1 1 27 27 ALA H H 296 9.170 9.170 8.529 0.641 17838 2661 1 4 . 1 1 28 28 LYS N N 297 116.690 116.690 118.774 -2.084 17838 2662 1 4 . 1 1 28 28 LYS HA H 297 5.380 5.380 4.644 0.736 17838 2663 1 4 . 1 1 28 28 LYS C C 297 174.200 174.200 175.190 -0.990 17838 2664 1 4 . 1 1 28 28 LYS CA C 297 54.970 54.970 56.063 -1.093 17838 2665 1 4 . 1 1 28 28 LYS CB C 297 37.660 37.660 32.264 5.396 17838 2666 1 4 . 1 1 28 28 LYS H H 297 9.190 9.190 8.415 0.775 17838 2667 1 4 . 1 1 29 29 ASN N N 298 115.540 115.540 116.261 -0.721 17838 2668 1 4 . 1 1 29 29 ASN HA H 298 4.150 4.150 4.858 -0.708 17838 2669 1 4 . 1 1 29 29 ASN C C 298 173.850 173.850 174.724 -0.874 17838 2670 1 4 . 1 1 29 29 ASN CA C 298 53.600 53.600 53.483 0.116 17838 2671 1 4 . 1 1 29 29 ASN CB C 298 37.000 37.000 40.591 -3.591 17838 2672 1 4 . 1 1 29 29 ASN H H 298 8.640 8.640 8.254 0.386 17838 2673 1 4 . 1 1 30 30 LEU N N 299 114.360 114.360 122.921 -8.561 17838 2674 1 4 . 1 1 30 30 LEU HA H 299 4.500 4.500 4.624 -0.124 17838 2675 1 4 . 1 1 30 30 LEU C C 299 174.750 174.750 175.642 -0.892 17838 2676 1 4 . 1 1 30 30 LEU CA C 299 55.010 55.010 53.218 1.792 17838 2677 1 4 . 1 1 30 30 LEU CB C 299 42.820 42.820 40.624 2.196 17838 2678 1 4 . 1 1 30 30 LEU H H 299 8.210 8.210 7.918 0.292 17838 2679 1 4 . 1 1 31 31 LYS N N 300 119.660 119.660 122.938 -3.278 17838 2680 1 4 . 1 1 31 31 LYS HA H 300 3.900 3.900 4.127 -0.227 17838 2681 1 4 . 1 1 31 31 LYS C C 300 175.130 175.130 176.347 -1.217 17838 2682 1 4 . 1 1 31 31 LYS CA C 300 56.630 56.630 56.571 0.059 17838 2683 1 4 . 1 1 31 31 LYS CB C 300 35.060 35.060 33.393 1.667 17838 2684 1 4 . 1 1 31 31 LYS H H 300 6.830 6.830 7.665 -0.835 17838 2685 1 4 . 1 1 32 32 LYS N N 301 124.550 124.550 124.842 -0.292 17838 2686 1 4 . 1 1 32 32 LYS HA H 301 3.760 3.760 4.176 -0.416 17838 2687 1 4 . 1 1 32 32 LYS C C 301 175.590 175.590 176.824 -1.234 17838 2688 1 4 . 1 1 32 32 LYS CA C 301 56.900 56.900 57.545 -0.645 17838 2689 1 4 . 1 1 32 32 LYS CB C 301 32.990 32.990 31.427 1.563 17838 2690 1 4 . 1 1 32 32 LYS H H 301 8.060 8.060 8.587 -0.527 17838 2691 1 4 . 1 1 33 33 MET N N 302 122.790 122.790 119.812 2.978 17838 2692 1 4 . 1 1 33 33 MET HA H 302 4.720 4.720 4.523 0.197 17838 2693 1 4 . 1 1 33 33 MET C C 302 176.510 176.510 176.466 0.044 17838 2694 1 4 . 1 1 33 33 MET CA C 302 53.860 53.860 55.739 -1.879 17838 2695 1 4 . 1 1 33 33 MET CB C 302 32.590 32.590 33.014 -0.424 17838 2696 1 4 . 1 1 33 33 MET H H 302 7.970 7.970 8.217 -0.247 17838 2697 1 4 . 1 1 34 34 ASP N N 303 124.630 124.630 122.314 2.316 17838 2698 1 4 . 1 1 34 34 ASP HA H 303 5.030 5.030 4.701 0.329 17838 2699 1 4 . 1 1 34 34 ASP CA C 303 52.810 52.810 53.523 -0.713 17838 2700 1 4 . 1 1 34 34 ASP CB C 303 41.950 41.950 42.407 -0.457 17838 2701 1 4 . 1 1 34 34 ASP H H 303 8.080 8.080 7.618 0.462 17838 2702 1 4 . 1 1 35 35 VAL N N 304 125.910 125.910 126.349 -0.439 17838 2703 1 4 . 1 1 35 35 VAL HA H 304 3.690 3.690 3.875 -0.185 17838 2704 1 4 . 1 1 35 35 VAL C C 304 176.820 176.820 176.452 0.368 17838 2705 1 4 . 1 1 35 35 VAL CA C 304 64.750 64.750 63.152 1.598 17838 2706 1 4 . 1 1 35 35 VAL CB C 304 31.120 31.120 30.601 0.519 17838 2707 1 4 . 1 1 35 35 VAL H H 304 8.760 8.760 8.668 0.092 17838 2708 1 4 . 1 1 36 36 GLY N N 305 115.560 115.560 114.736 0.824 17838 2709 1 4 . 1 1 36 36 GLY C C 305 174.160 174.160 173.987 0.173 17838 2710 1 4 . 1 1 36 36 GLY CA C 305 45.740 45.740 44.939 0.801 17838 2711 1 4 . 1 1 36 36 GLY H H 305 8.830 8.830 8.095 0.735 17838 2712 1 4 . 1 1 37 37 GLY N N 306 109.040 109.040 107.887 1.153 17838 2713 1 4 . 1 1 37 37 GLY C C 306 173.030 173.030 172.870 0.160 17838 2714 1 4 . 1 1 37 37 GLY CA C 306 45.040 45.040 44.844 0.196 17838 2715 1 4 . 1 1 37 37 GLY H H 306 7.690 7.690 7.823 -0.133 17838 2716 1 4 . 1 1 38 38 LEU N N 307 124.610 124.610 119.953 4.657 17838 2717 1 4 . 1 1 38 38 LEU HA H 307 4.580 4.580 4.717 -0.137 17838 2718 1 4 . 1 1 38 38 LEU CA C 307 53.470 53.470 53.259 0.211 17838 2719 1 4 . 1 1 38 38 LEU CB C 307 42.060 42.060 45.294 -3.234 17838 2720 1 4 . 1 1 38 38 LEU H H 307 8.410 8.410 8.375 0.035 17838 2721 1 4 . 1 1 39 39 SER N N 308 115.270 115.270 113.067 2.203 17838 2722 1 4 . 1 1 39 39 SER HA H 308 4.490 4.490 4.626 -0.136 17838 2723 1 4 . 1 1 39 39 SER CA C 308 57.250 57.250 57.891 -0.641 17838 2724 1 4 . 1 1 39 39 SER CB C 308 68.290 68.290 66.024 2.266 17838 2725 1 4 . 1 1 39 39 SER H H 308 7.080 7.080 8.317 -1.237 17838 2726 1 4 . 1 1 40 40 ASP N N 309 121.280 121.280 122.006 -0.726 17838 2727 1 4 . 1 1 40 40 ASP HA H 309 5.880 5.880 5.336 0.544 17838 2728 1 4 . 1 1 40 40 ASP CA C 309 52.000 52.000 51.748 0.252 17838 2729 1 4 . 1 1 40 40 ASP CB C 309 42.350 42.350 42.696 -0.346 17838 2730 1 4 . 1 1 40 40 ASP H H 309 9.270 9.270 9.106 0.164 17838 2731 1 4 . 1 1 41 41 PRO HA H 310 5.680 5.680 4.506 1.174 17838 2732 1 4 . 1 1 41 41 PRO C C 310 179.050 179.050 175.820 3.230 17838 2733 1 4 . 1 1 41 41 PRO CA C 310 62.970 62.970 62.669 0.301 17838 2734 1 4 . 1 1 41 41 PRO CB C 310 32.940 32.940 32.528 0.412 17838 2735 1 4 . 1 1 42 42 TYR N N 311 122.860 122.860 123.544 -0.684 17838 2736 1 4 . 1 1 42 42 TYR HA H 311 4.740 4.740 4.758 -0.018 17838 2737 1 4 . 1 1 42 42 TYR C C 311 170.780 170.780 173.196 -2.416 17838 2738 1 4 . 1 1 42 42 TYR CA C 311 55.640 55.640 58.271 -2.631 17838 2739 1 4 . 1 1 42 42 TYR CB C 311 41.950 41.950 41.510 0.440 17838 2740 1 4 . 1 1 42 42 TYR H H 311 9.130 9.130 8.352 0.778 17838 2741 1 4 . 1 1 43 43 VAL N N 312 120.460 120.460 121.352 -0.892 17838 2742 1 4 . 1 1 43 43 VAL HA H 312 4.840 4.840 5.095 -0.255 17838 2743 1 4 . 1 1 43 43 VAL C C 312 174.430 174.430 173.481 0.949 17838 2744 1 4 . 1 1 43 43 VAL CA C 312 60.110 60.110 58.832 1.278 17838 2745 1 4 . 1 1 43 43 VAL CB C 312 33.430 33.430 36.353 -2.923 17838 2746 1 4 . 1 1 43 43 VAL H H 312 8.570 8.570 7.847 0.723 17838 2747 1 4 . 1 1 44 44 LYS N N 313 125.500 125.500 116.409 9.091 17838 2748 1 4 . 1 1 44 44 LYS HA H 313 4.840 4.840 4.634 0.206 17838 2749 1 4 . 1 1 44 44 LYS C C 313 174.300 174.300 174.075 0.225 17838 2750 1 4 . 1 1 44 44 LYS CA C 313 54.680 54.680 55.046 -0.366 17838 2751 1 4 . 1 1 44 44 LYS CB C 313 36.140 36.140 36.145 -0.005 17838 2752 1 4 . 1 1 44 44 LYS H H 313 9.050 9.050 8.600 0.450 17838 2753 1 4 . 1 1 45 45 ILE N N 314 123.760 123.760 121.612 2.148 17838 2754 1 4 . 1 1 45 45 ILE HA H 314 4.780 4.780 4.176 0.604 17838 2755 1 4 . 1 1 45 45 ILE C C 314 174.700 174.700 173.992 0.708 17838 2756 1 4 . 1 1 45 45 ILE CA C 314 60.050 60.050 59.737 0.313 17838 2757 1 4 . 1 1 45 45 ILE CB C 314 41.800 41.800 41.004 0.796 17838 2758 1 4 . 1 1 45 45 ILE H H 314 8.770 8.770 8.588 0.182 17838 2759 1 4 . 1 1 46 46 HIS N N 315 122.820 122.820 124.401 -1.581 17838 2760 1 4 . 1 1 46 46 HIS HA H 315 5.340 5.340 4.921 0.419 17838 2761 1 4 . 1 1 46 46 HIS C C 315 173.540 173.540 174.114 -0.574 17838 2762 1 4 . 1 1 46 46 HIS CA C 315 54.590 54.590 54.459 0.132 17838 2763 1 4 . 1 1 46 46 HIS CB C 315 34.280 34.280 32.562 1.718 17838 2764 1 4 . 1 1 46 46 HIS H H 315 9.070 9.070 8.631 0.439 17838 2765 1 4 . 1 1 47 47 LEU N N 316 124.780 124.780 120.153 4.627 17838 2766 1 4 . 1 1 47 47 LEU HA H 316 4.760 4.760 4.996 -0.236 17838 2767 1 4 . 1 1 47 47 LEU C C 316 174.720 174.720 175.212 -0.492 17838 2768 1 4 . 1 1 47 47 LEU CA C 316 53.480 53.480 53.694 -0.214 17838 2769 1 4 . 1 1 47 47 LEU CB C 316 44.010 44.010 43.599 0.411 17838 2770 1 4 . 1 1 47 47 LEU H H 316 8.350 8.350 8.479 -0.129 17838 2771 1 4 . 1 1 48 48 MET N N 317 125.550 125.550 120.758 4.792 17838 2772 1 4 . 1 1 48 48 MET HA H 317 5.360 5.360 5.076 0.284 17838 2773 1 4 . 1 1 48 48 MET C C 317 174.720 174.720 175.858 -1.138 17838 2774 1 4 . 1 1 48 48 MET CA C 317 53.490 53.490 53.127 0.363 17838 2775 1 4 . 1 1 48 48 MET CB C 317 35.800 35.800 31.400 4.400 17838 2776 1 4 . 1 1 48 48 MET H H 317 9.240 9.240 8.974 0.266 17838 2777 1 4 . 1 1 49 49 GLN N N 318 118.130 118.130 125.392 -7.262 17838 2778 1 4 . 1 1 49 49 GLN HA H 318 4.350 4.350 4.417 -0.067 17838 2779 1 4 . 1 1 49 49 GLN C C 318 175.850 175.850 176.129 -0.279 17838 2780 1 4 . 1 1 49 49 GLN CA C 318 56.330 56.330 56.024 0.306 17838 2781 1 4 . 1 1 49 49 GLN CB C 318 32.240 32.240 28.988 3.252 17838 2782 1 4 . 1 1 49 49 GLN H H 318 8.510 8.510 8.411 0.099 17838 2783 1 4 . 1 1 50 50 ASN N N 319 127.590 127.590 125.882 1.708 17838 2784 1 4 . 1 1 50 50 ASN HA H 319 4.250 4.250 4.378 -0.128 17838 2785 1 4 . 1 1 50 50 ASN C C 319 174.650 174.650 175.169 -0.519 17838 2786 1 4 . 1 1 50 50 ASN CA C 319 54.180 54.180 53.509 0.671 17838 2787 1 4 . 1 1 50 50 ASN CB C 319 37.640 37.640 37.793 -0.153 17838 2788 1 4 . 1 1 50 50 ASN H H 319 9.430 9.430 9.231 0.199 17838 2789 1 4 . 1 1 51 51 GLY N N 320 104.030 104.030 102.969 1.061 17838 2790 1 4 . 1 1 51 51 GLY C C 320 173.160 173.160 173.735 -0.575 17838 2791 1 4 . 1 1 51 51 GLY CA C 320 45.480 45.480 45.217 0.263 17838 2792 1 4 . 1 1 51 51 GLY H H 320 8.950 8.950 8.017 0.933 17838 2793 1 4 . 1 1 52 52 LYS N N 321 120.220 120.220 121.094 -0.874 17838 2794 1 4 . 1 1 52 52 LYS HA H 321 4.400 4.400 4.607 -0.207 17838 2795 1 4 . 1 1 52 52 LYS C C 321 175.370 175.370 175.568 -0.198 17838 2796 1 4 . 1 1 52 52 LYS CA C 321 54.340 54.340 54.489 -0.149 17838 2797 1 4 . 1 1 52 52 LYS CB C 321 34.230 34.230 34.478 -0.248 17838 2798 1 4 . 1 1 52 52 LYS H H 321 7.650 7.650 7.633 0.017 17838 2799 1 4 . 1 1 53 53 ARG N N 322 123.540 123.540 124.320 -0.780 17838 2800 1 4 . 1 1 53 53 ARG HA H 322 4.410 4.410 4.361 0.049 17838 2801 1 4 . 1 1 53 53 ARG C C 322 175.650 175.650 176.179 -0.529 17838 2802 1 4 . 1 1 53 53 ARG CA C 322 56.620 56.620 56.286 0.334 17838 2803 1 4 . 1 1 53 53 ARG CB C 322 29.960 29.960 28.821 1.139 17838 2804 1 4 . 1 1 53 53 ARG H H 322 8.700 8.700 8.632 0.068 17838 2805 1 4 . 1 1 54 54 LEU N N 323 127.220 127.220 125.024 2.196 17838 2806 1 4 . 1 1 54 54 LEU HA H 323 4.350 4.350 4.227 0.123 17838 2807 1 4 . 1 1 54 54 LEU C C 323 177.380 177.380 176.959 0.421 17838 2808 1 4 . 1 1 54 54 LEU CA C 323 56.230 56.230 56.739 -0.509 17838 2809 1 4 . 1 1 54 54 LEU CB C 323 42.950 42.950 43.085 -0.135 17838 2810 1 4 . 1 1 54 54 LEU H H 323 9.270 9.270 8.294 0.976 17838 2811 1 4 . 1 1 55 55 LYS N N 324 115.210 115.210 115.323 -0.113 17838 2812 1 4 . 1 1 55 55 LYS HA H 324 4.670 4.670 4.647 0.023 17838 2813 1 4 . 1 1 55 55 LYS C C 324 174.480 174.480 174.134 0.346 17838 2814 1 4 . 1 1 55 55 LYS CA C 324 54.460 54.460 55.136 -0.676 17838 2815 1 4 . 1 1 55 55 LYS CB C 324 37.580 37.580 36.563 1.017 17838 2816 1 4 . 1 1 55 55 LYS H H 324 7.410 7.410 7.565 -0.155 17838 2817 1 4 . 1 1 56 56 LYS N N 325 122.420 122.420 119.275 3.145 17838 2818 1 4 . 1 1 56 56 LYS HA H 325 5.320 5.320 4.903 0.417 17838 2819 1 4 . 1 1 56 56 LYS C C 325 174.700 174.700 175.579 -0.879 17838 2820 1 4 . 1 1 56 56 LYS CA C 325 54.970 54.970 55.036 -0.066 17838 2821 1 4 . 1 1 56 56 LYS CB C 325 35.730 35.730 35.077 0.653 17838 2822 1 4 . 1 1 56 56 LYS H H 325 8.470 8.470 8.319 0.151 17838 2823 1 4 . 1 1 57 57 LYS N N 326 122.740 122.740 123.578 -0.838 17838 2824 1 4 . 1 1 57 57 LYS HA H 326 4.630 4.630 4.656 -0.026 17838 2825 1 4 . 1 1 57 57 LYS C C 326 174.330 174.330 174.708 -0.378 17838 2826 1 4 . 1 1 57 57 LYS CA C 326 53.560 53.560 55.845 -2.285 17838 2827 1 4 . 1 1 57 57 LYS CB C 326 37.960 37.960 35.754 2.207 17838 2828 1 4 . 1 1 57 57 LYS H H 326 8.850 8.850 9.183 -0.333 17838 2829 1 4 . 1 1 58 58 LYS N N 327 118.070 118.070 125.264 -7.194 17838 2830 1 4 . 1 1 58 58 LYS HA H 327 5.380 5.380 4.463 0.917 17838 2831 1 4 . 1 1 58 58 LYS C C 327 174.810 174.810 175.725 -0.915 17838 2832 1 4 . 1 1 58 58 LYS CA C 327 55.120 55.120 55.759 -0.639 17838 2833 1 4 . 1 1 58 58 LYS CB C 327 36.900 36.900 33.773 3.127 17838 2834 1 4 . 1 1 58 58 LYS H H 327 8.310 8.310 8.542 -0.232 17838 2835 1 4 . 1 1 59 59 THR N N 328 110.590 110.590 115.413 -4.823 17838 2836 1 4 . 1 1 59 59 THR HA H 328 4.850 4.850 4.675 0.175 17838 2837 1 4 . 1 1 59 59 THR C C 328 175.550 175.550 173.395 2.155 17838 2838 1 4 . 1 1 59 59 THR CA C 328 60.950 60.950 60.156 0.794 17838 2839 1 4 . 1 1 59 59 THR CB C 328 73.290 73.290 71.010 2.280 17838 2840 1 4 . 1 1 59 59 THR H H 328 8.650 8.650 7.878 0.772 17838 2841 1 4 . 1 1 60 60 THR N N 329 109.520 109.520 121.216 -11.696 17838 2842 1 4 . 1 1 60 60 THR HA H 329 4.120 4.120 4.424 -0.304 17838 2843 1 4 . 1 1 60 60 THR C C 329 173.570 173.570 173.161 0.409 17838 2844 1 4 . 1 1 60 60 THR CA C 329 62.710 62.710 62.001 0.709 17838 2845 1 4 . 1 1 60 60 THR CB C 329 70.920 70.920 69.685 1.235 17838 2846 1 4 . 1 1 60 60 THR H H 329 9.420 9.420 8.035 1.385 17838 2847 1 4 . 1 1 61 61 ILE N N 330 119.070 119.070 123.379 -4.309 17838 2848 1 4 . 1 1 61 61 ILE HA H 330 4.230 4.230 4.119 0.111 17838 2849 1 4 . 1 1 61 61 ILE C C 330 177.050 177.050 174.993 2.057 17838 2850 1 4 . 1 1 61 61 ILE CA C 330 61.060 61.060 58.882 2.178 17838 2851 1 4 . 1 1 61 61 ILE CB C 330 40.200 40.200 40.478 -0.278 17838 2852 1 4 . 1 1 61 61 ILE H H 330 8.060 8.060 8.312 -0.252 17838 2853 1 4 . 1 1 62 62 LYS N N 331 127.440 127.440 123.838 3.602 17838 2854 1 4 . 1 1 62 62 LYS HA H 331 4.620 4.620 4.548 0.072 17838 2855 1 4 . 1 1 62 62 LYS C C 331 174.080 174.080 176.356 -2.276 17838 2856 1 4 . 1 1 62 62 LYS CA C 331 52.170 52.170 55.212 -3.042 17838 2857 1 4 . 1 1 62 62 LYS CB C 331 31.610 31.610 32.894 -1.284 17838 2858 1 4 . 1 1 62 62 LYS H H 331 7.970 7.970 8.820 -0.850 17838 2859 1 4 . 1 1 63 63 LYS N N 332 118.220 118.220 120.166 -1.946 17838 2860 1 4 . 1 1 63 63 LYS HA H 332 4.630 4.630 4.324 0.306 17838 2861 1 4 . 1 1 63 63 LYS C C 332 177.270 177.270 177.298 -0.028 17838 2862 1 4 . 1 1 63 63 LYS CA C 332 55.310 55.310 56.067 -0.757 17838 2863 1 4 . 1 1 63 63 LYS CB C 332 33.550 33.550 33.123 0.427 17838 2864 1 4 . 1 1 63 63 LYS H H 332 8.000 8.000 8.402 -0.402 17838 2865 1 4 . 1 1 64 64 ASN N N 333 122.920 122.920 119.508 3.412 17838 2866 1 4 . 1 1 64 64 ASN HA H 333 4.250 4.250 4.477 -0.227 17838 2867 1 4 . 1 1 64 64 ASN C C 333 173.470 173.470 173.954 -0.484 17838 2868 1 4 . 1 1 64 64 ASN CA C 333 54.030 54.030 54.406 -0.376 17838 2869 1 4 . 1 1 64 64 ASN CB C 333 37.910 37.910 37.322 0.588 17838 2870 1 4 . 1 1 64 64 ASN H H 333 9.710 9.710 9.491 0.219 17838 2871 1 4 . 1 1 65 65 THR N N 334 112.090 112.090 112.974 -0.884 17838 2872 1 4 . 1 1 65 65 THR HA H 334 4.600 4.600 4.566 0.034 17838 2873 1 4 . 1 1 65 65 THR C C 334 170.000 170.000 173.733 -3.733 17838 2874 1 4 . 1 1 65 65 THR CA C 334 60.580 60.580 60.623 -0.043 17838 2875 1 4 . 1 1 65 65 THR CB C 334 68.600 68.600 71.141 -2.541 17838 2876 1 4 . 1 1 65 65 THR H H 334 8.630 8.630 7.853 0.777 17838 2877 1 4 . 1 1 66 66 LEU N N 335 121.880 121.880 121.611 0.269 17838 2878 1 4 . 1 1 66 66 LEU HA H 335 4.500 4.500 4.598 -0.098 17838 2879 1 4 . 1 1 66 66 LEU C C 335 173.970 173.970 176.405 -2.435 17838 2880 1 4 . 1 1 66 66 LEU CA C 335 52.790 52.790 56.331 -3.541 17838 2881 1 4 . 1 1 66 66 LEU CB C 335 40.560 40.560 42.502 -1.942 17838 2882 1 4 . 1 1 66 66 LEU H H 335 8.530 8.530 8.581 -0.051 17838 2883 1 4 . 1 1 67 67 ASN N N 336 115.420 115.420 116.754 -1.334 17838 2884 1 4 . 1 1 67 67 ASN HA H 336 5.500 5.500 5.449 0.051 17838 2885 1 4 . 1 1 67 67 ASN CA C 336 51.190 51.190 49.962 1.228 17838 2886 1 4 . 1 1 67 67 ASN CB C 336 41.620 41.620 38.903 2.717 17838 2887 1 4 . 1 1 67 67 ASN H H 336 8.540 8.540 8.032 0.508 17838 2888 1 4 . 1 1 68 68 PRO HA H 337 4.170 4.170 4.424 -0.254 17838 2889 1 4 . 1 1 68 68 PRO C C 337 173.480 173.480 175.355 -1.875 17838 2890 1 4 . 1 1 68 68 PRO CA C 337 62.710 62.710 63.450 -0.740 17838 2891 1 4 . 1 1 68 68 PRO CB C 337 32.610 32.610 30.712 1.898 17838 2892 1 4 . 1 1 69 69 TYR N N 338 120.550 120.550 126.311 -5.761 17838 2893 1 4 . 1 1 69 69 TYR HA H 338 4.470 4.470 4.872 -0.402 17838 2894 1 4 . 1 1 69 69 TYR C C 338 174.390 174.390 173.533 0.857 17838 2895 1 4 . 1 1 69 69 TYR CA C 338 57.740 57.740 56.549 1.191 17838 2896 1 4 . 1 1 69 69 TYR CB C 338 40.530 40.530 41.578 -1.048 17838 2897 1 4 . 1 1 69 69 TYR H H 338 8.060 8.060 8.067 -0.007 17838 2898 1 4 . 1 1 70 70 TYR N N 339 122.140 122.140 127.922 -5.782 17838 2899 1 4 . 1 1 70 70 TYR HA H 339 4.400 4.400 3.929 0.471 17838 2900 1 4 . 1 1 70 70 TYR C C 339 175.190 175.190 173.875 1.315 17838 2901 1 4 . 1 1 70 70 TYR CA C 339 59.040 59.040 58.612 0.428 17838 2902 1 4 . 1 1 70 70 TYR CB C 339 40.290 40.290 41.724 -1.434 17838 2903 1 4 . 1 1 70 70 TYR H H 339 8.080 8.080 7.874 0.206 17838 2904 1 4 . 1 1 71 71 ASN N N 340 120.260 120.260 119.649 0.611 17838 2905 1 4 . 1 1 71 71 ASN HA H 340 4.080 4.080 4.681 -0.601 17838 2906 1 4 . 1 1 71 71 ASN C C 340 173.510 173.510 173.892 -0.382 17838 2907 1 4 . 1 1 71 71 ASN CA C 340 53.960 53.960 54.056 -0.096 17838 2908 1 4 . 1 1 71 71 ASN CB C 340 37.450 37.450 38.068 -0.618 17838 2909 1 4 . 1 1 71 71 ASN H H 340 8.130 8.130 8.078 0.052 17838 2910 1 4 . 1 1 72 72 GLU N N 341 117.370 117.370 122.881 -5.511 17838 2911 1 4 . 1 1 72 72 GLU HA H 341 4.300 4.300 4.667 -0.367 17838 2912 1 4 . 1 1 72 72 GLU C C 341 173.000 173.000 174.575 -1.575 17838 2913 1 4 . 1 1 72 72 GLU CA C 341 55.470 55.470 54.703 0.767 17838 2914 1 4 . 1 1 72 72 GLU CB C 341 33.320 33.320 34.051 -0.731 17838 2915 1 4 . 1 1 72 72 GLU H H 341 7.530 7.530 8.183 -0.653 17838 2916 1 4 . 1 1 73 73 SER N N 342 117.330 117.330 116.286 1.044 17838 2917 1 4 . 1 1 73 73 SER HA H 342 4.740 4.740 5.005 -0.265 17838 2918 1 4 . 1 1 73 73 SER C C 342 172.930 172.930 173.651 -0.721 17838 2919 1 4 . 1 1 73 73 SER CA C 342 56.810 56.810 57.453 -0.643 17838 2920 1 4 . 1 1 73 73 SER CB C 342 64.720 64.720 63.795 0.925 17838 2921 1 4 . 1 1 73 73 SER H H 342 8.010 8.010 8.461 -0.451 17838 2922 1 4 . 1 1 74 74 PHE N N 343 123.520 123.520 126.459 -2.939 17838 2923 1 4 . 1 1 74 74 PHE HA H 343 4.480 4.480 4.662 -0.182 17838 2924 1 4 . 1 1 74 74 PHE C C 343 173.480 173.480 174.882 -1.402 17838 2925 1 4 . 1 1 74 74 PHE CA C 343 57.280 57.280 57.412 -0.132 17838 2926 1 4 . 1 1 74 74 PHE CB C 343 43.130 43.130 39.464 3.666 17838 2927 1 4 . 1 1 74 74 PHE H H 343 8.780 8.780 9.250 -0.470 17838 2928 1 4 . 1 1 75 75 SER N N 344 116.700 116.700 120.374 -3.674 17838 2929 1 4 . 1 1 75 75 SER HA H 344 5.480 5.480 5.469 0.011 17838 2930 1 4 . 1 1 75 75 SER C C 344 172.170 172.170 173.188 -1.018 17838 2931 1 4 . 1 1 75 75 SER CA C 344 57.210 57.210 58.021 -0.811 17838 2932 1 4 . 1 1 75 75 SER CB C 344 66.140 66.140 64.598 1.542 17838 2933 1 4 . 1 1 75 75 SER H H 344 8.430 8.430 8.887 -0.457 17838 2934 1 4 . 1 1 76 76 PHE N N 345 119.990 119.990 124.751 -4.761 17838 2935 1 4 . 1 1 76 76 PHE HA H 345 4.800 4.800 4.840 -0.040 17838 2936 1 4 . 1 1 76 76 PHE C C 345 173.440 173.440 173.268 0.172 17838 2937 1 4 . 1 1 76 76 PHE CA C 345 56.080 56.080 56.018 0.062 17838 2938 1 4 . 1 1 76 76 PHE CB C 345 43.520 43.520 42.260 1.260 17838 2939 1 4 . 1 1 76 76 PHE H H 345 9.440 9.440 9.112 0.328 17838 2940 1 4 . 1 1 77 77 GLU N N 346 124.120 124.120 128.670 -4.550 17838 2941 1 4 . 1 1 77 77 GLU HA H 346 4.890 4.890 4.262 0.628 17838 2942 1 4 . 1 1 77 77 GLU C C 346 175.510 175.510 174.470 1.040 17838 2943 1 4 . 1 1 77 77 GLU CA C 346 55.880 55.880 55.508 0.372 17838 2944 1 4 . 1 1 77 77 GLU CB C 346 29.220 29.220 28.677 0.543 17838 2945 1 4 . 1 1 77 77 GLU H H 346 9.000 9.000 8.706 0.294 17838 2946 1 4 . 1 1 78 78 VAL N N 347 125.140 125.140 117.913 7.227 17838 2947 1 4 . 1 1 78 78 VAL HA H 347 4.390 4.390 4.407 -0.017 17838 2948 1 4 . 1 1 78 78 VAL CA C 347 59.350 59.350 58.311 1.039 17838 2949 1 4 . 1 1 78 78 VAL CB C 347 35.710 35.710 33.650 2.060 17838 2950 1 4 . 1 1 78 78 VAL H H 347 8.470 8.470 7.581 0.889 17838 2951 1 4 . 1 1 79 79 PRO HA H 348 4.550 4.550 4.708 -0.158 17838 2952 1 4 . 1 1 79 79 PRO C C 348 177.330 177.330 178.124 -0.794 17838 2953 1 4 . 1 1 79 79 PRO CA C 348 62.850 62.850 63.266 -0.416 17838 2954 1 4 . 1 1 79 79 PRO CB C 348 32.870 32.870 31.860 1.010 17838 2955 1 4 . 1 1 80 80 PHE N N 349 125.590 125.590 120.675 4.915 17838 2956 1 4 . 1 1 80 80 PHE HA H 349 4.610 4.610 3.897 0.713 17838 2957 1 4 . 1 1 80 80 PHE C C 349 177.630 177.630 176.487 1.143 17838 2958 1 4 . 1 1 80 80 PHE CA C 349 61.050 61.050 60.421 0.629 17838 2959 1 4 . 1 1 80 80 PHE CB C 349 38.960 38.960 37.989 0.971 17838 2960 1 4 . 1 1 80 80 PHE H H 349 9.250 9.250 8.721 0.529 17838 2961 1 4 . 1 1 81 81 GLU N N 350 116.260 116.260 117.419 -1.159 17838 2962 1 4 . 1 1 81 81 GLU HA H 350 3.870 3.870 3.890 -0.020 17838 2963 1 4 . 1 1 81 81 GLU C C 350 176.960 176.960 176.930 0.030 17838 2964 1 4 . 1 1 81 81 GLU CA C 350 58.870 58.870 57.612 1.258 17838 2965 1 4 . 1 1 81 81 GLU CB C 350 28.590 28.590 27.998 0.592 17838 2966 1 4 . 1 1 81 81 GLU H H 350 9.120 9.120 7.811 1.309 17838 2967 1 4 . 1 1 82 82 GLN N N 351 116.390 116.390 117.717 -1.327 17838 2968 1 4 . 1 1 82 82 GLN HA H 351 4.300 4.300 4.294 0.006 17838 2969 1 4 . 1 1 82 82 GLN C C 351 177.670 177.670 177.052 0.618 17838 2970 1 4 . 1 1 82 82 GLN CA C 351 55.020 55.020 55.804 -0.784 17838 2971 1 4 . 1 1 82 82 GLN CB C 351 30.360 30.360 29.429 0.931 17838 2972 1 4 . 1 1 82 82 GLN H H 351 8.080 8.080 7.871 0.209 17838 2973 1 4 . 1 1 83 83 ILE N N 352 120.350 120.350 121.181 -0.831 17838 2974 1 4 . 1 1 83 83 ILE HA H 352 3.900 3.900 3.796 0.104 17838 2975 1 4 . 1 1 83 83 ILE C C 352 174.820 174.820 176.885 -2.065 17838 2976 1 4 . 1 1 83 83 ILE CA C 352 60.850 60.850 64.825 -3.975 17838 2977 1 4 . 1 1 83 83 ILE CB C 352 38.610 38.610 38.034 0.576 17838 2978 1 4 . 1 1 83 83 ILE H H 352 7.110 7.110 7.190 -0.080 17838 2979 1 4 . 1 1 84 84 GLN N N 353 116.230 116.230 113.935 2.295 17838 2980 1 4 . 1 1 84 84 GLN HA H 353 4.290 4.290 4.482 -0.192 17838 2981 1 4 . 1 1 84 84 GLN C C 353 176.520 176.520 175.662 0.858 17838 2982 1 4 . 1 1 84 84 GLN CA C 353 57.040 57.040 56.709 0.331 17838 2983 1 4 . 1 1 84 84 GLN CB C 353 27.700 27.700 28.078 -0.378 17838 2984 1 4 . 1 1 84 84 GLN H H 353 8.110 8.110 8.616 -0.506 17838 2985 1 4 . 1 1 85 85 LYS N N 354 114.900 114.900 117.804 -2.904 17838 2986 1 4 . 1 1 85 85 LYS HA H 354 4.010 4.010 4.361 -0.351 17838 2987 1 4 . 1 1 85 85 LYS C C 354 175.920 175.920 175.392 0.528 17838 2988 1 4 . 1 1 85 85 LYS CA C 354 55.090 55.090 55.951 -0.861 17838 2989 1 4 . 1 1 85 85 LYS CB C 354 33.610 33.610 33.885 -0.275 17838 2990 1 4 . 1 1 85 85 LYS H H 354 7.750 7.750 7.872 -0.122 17838 2991 1 4 . 1 1 86 86 VAL N N 355 112.960 112.960 113.289 -0.329 17838 2992 1 4 . 1 1 86 86 VAL HA H 355 4.810 4.810 4.464 0.346 17838 2993 1 4 . 1 1 86 86 VAL C C 355 174.780 174.780 173.844 0.936 17838 2994 1 4 . 1 1 86 86 VAL CA C 355 60.450 60.450 59.548 0.902 17838 2995 1 4 . 1 1 86 86 VAL CB C 355 34.320 34.320 34.843 -0.523 17838 2996 1 4 . 1 1 86 86 VAL H H 355 6.900 6.900 7.287 -0.387 17838 2997 1 4 . 1 1 87 87 GLN N N 356 118.230 118.230 121.823 -3.593 17838 2998 1 4 . 1 1 87 87 GLN HA H 356 4.370 4.370 4.755 -0.385 17838 2999 1 4 . 1 1 87 87 GLN C C 356 174.390 174.390 174.298 0.092 17838 3000 1 4 . 1 1 87 87 GLN CA C 356 54.410 54.410 55.050 -0.640 17838 3001 1 4 . 1 1 87 87 GLN CB C 356 30.820 30.820 30.973 -0.153 17838 3002 1 4 . 1 1 87 87 GLN H H 356 8.560 8.560 8.391 0.169 17838 3003 1 4 . 1 1 88 88 VAL N N 357 122.080 122.080 127.253 -5.173 17838 3004 1 4 . 1 1 88 88 VAL HA H 357 4.580 4.580 4.468 0.112 17838 3005 1 4 . 1 1 88 88 VAL C C 357 173.860 173.860 173.723 0.137 17838 3006 1 4 . 1 1 88 88 VAL CA C 357 61.190 61.190 61.293 -0.103 17838 3007 1 4 . 1 1 88 88 VAL CB C 357 31.950 31.950 33.391 -1.441 17838 3008 1 4 . 1 1 88 88 VAL H H 357 8.300 8.300 9.084 -0.784 17838 3009 1 4 . 1 1 89 89 VAL N N 358 127.800 127.800 127.984 -0.184 17838 3010 1 4 . 1 1 89 89 VAL HA H 358 4.270 4.270 4.950 -0.680 17838 3011 1 4 . 1 1 89 89 VAL C C 358 174.840 174.840 174.374 0.466 17838 3012 1 4 . 1 1 89 89 VAL CA C 358 61.240 61.240 59.487 1.753 17838 3013 1 4 . 1 1 89 89 VAL CB C 358 33.020 33.020 35.020 -2.000 17838 3014 1 4 . 1 1 89 89 VAL H H 358 9.010 9.010 9.155 -0.145 17838 3015 1 4 . 1 1 90 90 VAL N N 359 129.800 129.800 130.206 -0.406 17838 3016 1 4 . 1 1 90 90 VAL HA H 359 4.490 4.490 4.023 0.467 17838 3017 1 4 . 1 1 90 90 VAL C C 359 173.580 173.580 175.580 -2.000 17838 3018 1 4 . 1 1 90 90 VAL CA C 359 61.480 61.480 62.218 -0.738 17838 3019 1 4 . 1 1 90 90 VAL CB C 359 33.530 33.530 31.550 1.980 17838 3020 1 4 . 1 1 90 90 VAL H H 359 9.120 9.120 8.970 0.150 17838 3021 1 4 . 1 1 91 91 THR N N 360 122.290 122.290 124.739 -2.449 17838 3022 1 4 . 1 1 91 91 THR HA H 360 4.770 4.770 4.616 0.154 17838 3023 1 4 . 1 1 91 91 THR C C 360 173.010 173.010 173.299 -0.289 17838 3024 1 4 . 1 1 91 91 THR CA C 360 61.360 61.360 61.730 -0.370 17838 3025 1 4 . 1 1 91 91 THR CB C 360 70.860 70.860 69.163 1.697 17838 3026 1 4 . 1 1 91 91 THR H H 360 8.750 8.750 8.986 -0.236 17838 3027 1 4 . 1 1 92 92 VAL N N 361 125.180 125.180 128.124 -2.944 17838 3028 1 4 . 1 1 92 92 VAL HA H 361 4.670 4.670 4.010 0.660 17838 3029 1 4 . 1 1 92 92 VAL C C 361 174.220 174.220 173.943 0.277 17838 3030 1 4 . 1 1 92 92 VAL CA C 361 61.000 61.000 62.324 -1.324 17838 3031 1 4 . 1 1 92 92 VAL CB C 361 31.960 31.960 32.625 -0.665 17838 3032 1 4 . 1 1 92 92 VAL H H 361 8.580 8.580 8.100 0.480 17838 3033 1 4 . 1 1 93 93 LEU N N 362 127.950 127.950 125.494 2.456 17838 3034 1 4 . 1 1 93 93 LEU HA H 362 4.750 4.750 4.716 0.034 17838 3035 1 4 . 1 1 93 93 LEU C C 362 173.470 173.470 173.985 -0.515 17838 3036 1 4 . 1 1 93 93 LEU CA C 362 55.470 55.470 53.242 2.228 17838 3037 1 4 . 1 1 93 93 LEU CB C 362 44.440 44.440 47.350 -2.910 17838 3038 1 4 . 1 1 93 93 LEU H H 362 8.860 8.860 8.569 0.291 17838 3039 1 4 . 1 1 94 94 ASP N N 363 116.580 116.580 118.716 -2.136 17838 3040 1 4 . 1 1 94 94 ASP HA H 363 4.810 4.810 5.273 -0.463 17838 3041 1 4 . 1 1 94 94 ASP C C 363 175.870 175.870 174.348 1.522 17838 3042 1 4 . 1 1 94 94 ASP CA C 363 52.020 52.020 52.398 -0.378 17838 3043 1 4 . 1 1 94 94 ASP CB C 363 44.160 44.160 44.286 -0.126 17838 3044 1 4 . 1 1 94 94 ASP H H 363 8.380 8.380 8.247 0.133 17838 3045 1 4 . 1 1 95 95 TYR N N 364 127.590 127.590 121.139 6.451 17838 3046 1 4 . 1 1 95 95 TYR HA H 364 4.310 4.310 4.662 -0.352 17838 3047 1 4 . 1 1 95 95 TYR C C 364 175.260 175.260 175.133 0.127 17838 3048 1 4 . 1 1 95 95 TYR CA C 364 59.750 59.750 55.853 3.897 17838 3049 1 4 . 1 1 95 95 TYR CB C 364 39.300 39.300 38.453 0.847 17838 3050 1 4 . 1 1 95 95 TYR H H 364 9.380 9.380 8.316 1.064 17838 3051 1 4 . 1 1 96 96 ASP N N 365 131.500 131.500 124.457 7.043 17838 3052 1 4 . 1 1 96 96 ASP HA H 365 4.590 4.590 4.327 0.263 17838 3053 1 4 . 1 1 96 96 ASP C C 365 172.480 172.480 176.340 -3.860 17838 3054 1 4 . 1 1 96 96 ASP CA C 365 52.630 52.630 55.661 -3.031 17838 3055 1 4 . 1 1 96 96 ASP CB C 365 41.910 41.910 40.954 0.956 17838 3056 1 4 . 1 1 96 96 ASP H H 365 7.800 7.800 8.442 -0.642 17838 3057 1 4 . 1 1 97 97 LYS N N 366 120.720 120.720 124.080 -3.360 17838 3058 1 4 . 1 1 97 97 LYS HA H 366 3.840 3.840 4.007 -0.167 17838 3059 1 4 . 1 1 97 97 LYS C C 366 176.440 176.440 175.813 0.627 17838 3060 1 4 . 1 1 97 97 LYS CA C 366 58.400 58.400 57.240 1.160 17838 3061 1 4 . 1 1 97 97 LYS CB C 366 33.030 33.030 30.782 2.248 17838 3062 1 4 . 1 1 97 97 LYS H H 366 8.030 8.030 8.407 -0.377 17838 3063 1 4 . 1 1 98 98 ILE N N 367 117.460 117.460 113.358 4.102 17838 3064 1 4 . 1 1 98 98 ILE HA H 367 4.080 4.080 3.763 0.317 17838 3065 1 4 . 1 1 98 98 ILE C C 367 176.200 176.200 175.977 0.223 17838 3066 1 4 . 1 1 98 98 ILE CA C 367 60.910 60.910 62.436 -1.526 17838 3067 1 4 . 1 1 98 98 ILE CB C 367 38.440 38.440 35.973 2.467 17838 3068 1 4 . 1 1 98 98 ILE H H 367 7.790 7.790 8.556 -0.766 17838 3069 1 4 . 1 1 99 99 GLY N N 368 113.730 113.730 109.027 4.703 17838 3070 1 4 . 1 1 99 99 GLY C C 368 173.460 173.460 173.155 0.305 17838 3071 1 4 . 1 1 99 99 GLY CA C 368 44.190 44.190 45.177 -0.987 17838 3072 1 4 . 1 1 99 99 GLY H H 368 8.160 8.160 7.419 0.741 17838 3073 1 4 . 1 1 100 100 LYS N N 369 119.980 119.980 121.987 -2.007 17838 3074 1 4 . 1 1 100 100 LYS HA H 369 4.260 4.260 4.595 -0.335 17838 3075 1 4 . 1 1 100 100 LYS C C 369 175.270 175.270 174.625 0.645 17838 3076 1 4 . 1 1 100 100 LYS CA C 369 56.030 56.030 55.673 0.357 17838 3077 1 4 . 1 1 100 100 LYS CB C 369 33.090 33.090 34.435 -1.345 17838 3078 1 4 . 1 1 100 100 LYS H H 369 8.020 8.020 8.265 -0.245 17838 3079 1 4 . 1 1 101 101 ASN N N 370 124.530 124.530 124.051 0.479 17838 3080 1 4 . 1 1 101 101 ASN HA H 370 5.040 5.040 5.021 0.019 17838 3081 1 4 . 1 1 101 101 ASN CA C 370 52.230 52.230 51.794 0.436 17838 3082 1 4 . 1 1 101 101 ASN CB C 370 38.490 38.490 42.113 -3.623 17838 3083 1 4 . 1 1 101 101 ASN H H 370 8.730 8.730 8.413 0.317 17838 3084 1 4 . 1 1 102 102 ASP N N 371 123.520 123.520 119.272 4.248 17838 3085 1 4 . 1 1 102 102 ASP HA H 371 4.590 4.590 4.651 -0.061 17838 3086 1 4 . 1 1 102 102 ASP CA C 371 53.980 53.980 53.453 0.527 17838 3087 1 4 . 1 1 102 102 ASP CB C 371 42.940 42.940 43.445 -0.505 17838 3088 1 4 . 1 1 102 102 ASP H H 371 8.550 8.550 8.319 0.231 17838 3089 1 4 . 1 1 103 103 ALA N N 372 124.120 124.120 121.927 2.193 17838 3090 1 4 . 1 1 103 103 ALA HA H 372 4.210 4.210 4.064 0.146 17838 3091 1 4 . 1 1 103 103 ALA C C 372 177.140 177.140 176.774 0.366 17838 3092 1 4 . 1 1 103 103 ALA CA C 372 52.910 52.910 52.955 -0.045 17838 3093 1 4 . 1 1 103 103 ALA CB C 372 17.740 17.740 17.625 0.115 17838 3094 1 4 . 1 1 103 103 ALA H H 372 8.870 8.870 8.602 0.268 17838 3095 1 4 . 1 1 104 104 ILE N N 373 123.110 123.110 116.151 6.959 17838 3096 1 4 . 1 1 104 104 ILE HA H 373 3.850 3.850 4.444 -0.594 17838 3097 1 4 . 1 1 104 104 ILE C C 373 176.450 176.450 176.044 0.406 17838 3098 1 4 . 1 1 104 104 ILE CA C 373 64.670 64.670 58.841 5.829 17838 3099 1 4 . 1 1 104 104 ILE CB C 373 38.900 38.900 39.329 -0.429 17838 3100 1 4 . 1 1 104 104 ILE H H 373 9.490 9.490 7.450 2.040 17838 3101 1 4 . 1 1 105 105 GLY N N 374 99.210 99.210 107.590 -8.380 17838 3102 1 4 . 1 1 105 105 GLY C C 374 170.160 170.160 172.743 -2.583 17838 3103 1 4 . 1 1 105 105 GLY CA C 374 46.130 46.130 44.638 1.492 17838 3104 1 4 . 1 1 105 105 GLY H H 374 7.310 7.310 8.444 -1.134 17838 3105 1 4 . 1 1 106 106 LYS N N 375 119.580 119.580 121.327 -1.747 17838 3106 1 4 . 1 1 106 106 LYS HA H 375 5.520 5.520 4.996 0.524 17838 3107 1 4 . 1 1 106 106 LYS C C 375 173.600 173.600 174.406 -0.806 17838 3108 1 4 . 1 1 106 106 LYS CA C 375 55.130 55.130 55.656 -0.526 17838 3109 1 4 . 1 1 106 106 LYS CB C 375 39.040 39.040 37.545 1.495 17838 3110 1 4 . 1 1 106 106 LYS H H 375 9.600 9.600 9.033 0.567 17838 3111 1 4 . 1 1 107 107 VAL N N 376 116.620 116.620 119.833 -3.213 17838 3112 1 4 . 1 1 107 107 VAL HA H 376 4.670 4.670 4.311 0.359 17838 3113 1 4 . 1 1 107 107 VAL C C 376 172.040 172.040 173.091 -1.051 17838 3114 1 4 . 1 1 107 107 VAL CA C 376 60.670 60.670 59.989 0.681 17838 3115 1 4 . 1 1 107 107 VAL CB C 376 35.220 35.220 35.694 -0.474 17838 3116 1 4 . 1 1 107 107 VAL H H 376 8.910 8.910 7.962 0.948 17838 3117 1 4 . 1 1 108 108 PHE N N 377 120.920 120.920 120.823 0.097 17838 3118 1 4 . 1 1 108 108 PHE HA H 377 5.690 5.690 5.566 0.124 17838 3119 1 4 . 1 1 108 108 PHE CA C 377 55.460 55.460 54.821 0.639 17838 3120 1 4 . 1 1 108 108 PHE CB C 377 44.420 44.420 40.683 3.737 17838 3121 1 4 . 1 1 108 108 PHE H H 377 8.560 8.560 7.707 0.853 17838 3122 1 4 . 1 1 109 109 VAL N N 378 108.500 108.500 115.370 -6.870 17838 3123 1 4 . 1 1 109 109 VAL HA H 378 4.150 4.150 4.573 -0.423 17838 3124 1 4 . 1 1 109 109 VAL CA C 378 58.140 58.140 59.261 -1.121 17838 3125 1 4 . 1 1 109 109 VAL CB C 378 33.750 33.750 34.648 -0.898 17838 3126 1 4 . 1 1 109 109 VAL H H 378 8.320 8.320 8.768 -0.448 17838 3127 1 4 . 1 1 110 110 GLY CA C 379 41.340 41.340 44.308 -2.968 17838 3128 1 4 . 1 1 111 111 TYR HA H 380 4.010 4.010 4.195 -0.185 17838 3129 1 4 . 1 1 111 111 TYR CA C 380 59.880 59.880 61.151 -1.272 17838 3130 1 4 . 1 1 111 111 TYR CB C 380 37.860 37.860 39.143 -1.283 17838 3131 1 4 . 1 1 112 112 ASN HA H 381 4.250 4.250 4.402 -0.152 17838 3132 1 4 . 1 1 112 112 ASN CA C 381 54.170 54.170 52.678 1.492 17838 3133 1 4 . 1 1 112 112 ASN CB C 381 37.810 37.810 36.368 1.442 17838 3134 1 4 . 1 1 113 113 SER HA H 382 4.140 4.140 4.785 -0.645 17838 3135 1 4 . 1 1 113 113 SER C C 382 172.760 172.760 174.190 -1.430 17838 3136 1 4 . 1 1 113 113 SER CA C 382 58.610 58.610 56.753 1.857 17838 3137 1 4 . 1 1 113 113 SER CB C 382 64.620 64.620 65.546 -0.926 17838 3138 1 4 . 1 1 114 114 THR N N 383 106.230 106.230 117.267 -11.037 17838 3139 1 4 . 1 1 114 114 THR HA H 383 4.730 4.730 4.406 0.324 17838 3140 1 4 . 1 1 114 114 THR C C 383 176.030 176.030 175.648 0.382 17838 3141 1 4 . 1 1 114 114 THR CA C 383 60.120 60.120 62.477 -2.357 17838 3142 1 4 . 1 1 114 114 THR CB C 383 72.950 72.950 69.626 3.324 17838 3143 1 4 . 1 1 114 114 THR H H 383 7.710 7.710 8.169 -0.459 17838 3144 1 4 . 1 1 115 115 GLY N N 384 108.400 108.400 107.237 1.163 17838 3145 1 4 . 1 1 115 115 GLY C C 384 175.920 175.920 173.360 2.560 17838 3146 1 4 . 1 1 115 115 GLY CA C 384 47.150 47.150 45.414 1.736 17838 3147 1 4 . 1 1 115 115 GLY H H 384 8.840 8.840 8.637 0.203 17838 3148 1 4 . 1 1 116 116 ALA N N 385 129.610 129.610 121.590 8.020 17838 3149 1 4 . 1 1 116 116 ALA HA H 385 4.110 4.110 4.555 -0.445 17838 3150 1 4 . 1 1 116 116 ALA C C 385 179.670 179.670 178.899 0.771 17838 3151 1 4 . 1 1 116 116 ALA CA C 385 54.310 54.310 53.002 1.308 17838 3152 1 4 . 1 1 116 116 ALA CB C 385 18.100 18.100 19.856 -1.756 17838 3153 1 4 . 1 1 116 116 ALA H H 385 9.310 9.310 7.696 1.614 17838 3154 1 4 . 1 1 117 117 GLU N N 386 121.720 121.720 121.023 0.697 17838 3155 1 4 . 1 1 117 117 GLU HA H 386 4.110 4.110 4.432 -0.322 17838 3156 1 4 . 1 1 117 117 GLU C C 386 175.960 175.960 179.116 -3.156 17838 3157 1 4 . 1 1 117 117 GLU CA C 386 62.450 62.450 59.154 3.296 17838 3158 1 4 . 1 1 117 117 GLU CB C 386 29.830 29.830 29.192 0.638 17838 3159 1 4 . 1 1 117 117 GLU H H 386 8.140 8.140 8.202 -0.062 17838 3160 1 4 . 1 1 118 118 LEU N N 387 122.820 122.820 121.555 1.265 17838 3161 1 4 . 1 1 118 118 LEU HA H 387 4.140 4.140 4.189 -0.049 17838 3162 1 4 . 1 1 118 118 LEU C C 387 179.580 179.580 178.430 1.150 17838 3163 1 4 . 1 1 118 118 LEU CA C 387 56.900 56.900 57.848 -0.948 17838 3164 1 4 . 1 1 118 118 LEU CB C 387 40.270 40.270 41.767 -1.497 17838 3165 1 4 . 1 1 118 118 LEU H H 387 6.570 6.570 7.854 -1.284 17838 3166 1 4 . 1 1 119 119 ARG N N 388 119.950 119.950 118.221 1.729 17838 3167 1 4 . 1 1 119 119 ARG HA H 388 4.090 4.090 4.019 0.071 17838 3168 1 4 . 1 1 119 119 ARG C C 388 177.240 177.240 177.555 -0.315 17838 3169 1 4 . 1 1 119 119 ARG CA C 388 59.220 59.220 59.011 0.209 17838 3170 1 4 . 1 1 119 119 ARG CB C 388 29.990 29.990 29.936 0.054 17838 3171 1 4 . 1 1 119 119 ARG H H 388 8.120 8.120 8.022 0.098 17838 3172 1 4 . 1 1 120 120 HIS N N 389 118.040 118.040 117.669 0.371 17838 3173 1 4 . 1 1 120 120 HIS HA H 389 4.560 4.560 4.929 -0.369 17838 3174 1 4 . 1 1 120 120 HIS CA C 389 57.520 57.520 56.515 1.005 17838 3175 1 4 . 1 1 120 120 HIS CB C 389 32.980 32.980 30.984 1.996 17838 3176 1 4 . 1 1 120 120 HIS H H 389 7.510 7.510 7.901 -0.391 17838 3177 1 4 . 1 1 121 121 TRP N N 390 118.700 118.700 122.849 -4.149 17838 3178 1 4 . 1 1 121 121 TRP HA H 390 4.010 4.010 4.434 -0.424 17838 3179 1 4 . 1 1 121 121 TRP C C 390 176.900 176.900 178.134 -1.234 17838 3180 1 4 . 1 1 121 121 TRP CA C 390 60.240 60.240 60.860 -0.620 17838 3181 1 4 . 1 1 121 121 TRP CB C 390 30.800 30.800 29.843 0.957 17838 3182 1 4 . 1 1 121 121 TRP H H 390 7.650 7.650 8.760 -1.110 17838 3183 1 4 . 1 1 122 122 SER N N 391 113.110 113.110 112.912 0.198 17838 3184 1 4 . 1 1 122 122 SER HA H 391 4.010 4.010 4.543 -0.533 17838 3185 1 4 . 1 1 122 122 SER C C 391 177.460 177.460 173.656 3.804 17838 3186 1 4 . 1 1 122 122 SER CA C 391 61.970 61.970 59.340 2.630 17838 3187 1 4 . 1 1 122 122 SER CB C 391 62.490 62.490 61.982 0.508 17838 3188 1 4 . 1 1 122 122 SER H H 391 9.060 9.060 8.279 0.781 17838 3189 1 4 . 1 1 123 123 ASP N N 392 123.980 123.980 120.425 3.555 17838 3190 1 4 . 1 1 123 123 ASP HA H 392 4.380 4.380 4.704 -0.324 17838 3191 1 4 . 1 1 123 123 ASP C C 392 178.830 178.830 176.493 2.337 17838 3192 1 4 . 1 1 123 123 ASP CA C 392 57.570 57.570 55.511 2.059 17838 3193 1 4 . 1 1 123 123 ASP CB C 392 40.040 40.040 41.835 -1.795 17838 3194 1 4 . 1 1 123 123 ASP H H 392 8.870 8.870 8.218 0.652 17838 3195 1 4 . 1 1 124 124 MET N N 393 121.910 121.910 118.761 3.149 17838 3196 1 4 . 1 1 124 124 MET HA H 393 3.970 3.970 4.544 -0.574 17838 3197 1 4 . 1 1 124 124 MET C C 393 179.000 179.000 177.728 1.272 17838 3198 1 4 . 1 1 124 124 MET CA C 393 59.350 59.350 56.602 2.748 17838 3199 1 4 . 1 1 124 124 MET CB C 393 32.590 32.590 34.099 -1.508 17838 3200 1 4 . 1 1 124 124 MET H H 393 7.960 7.960 8.353 -0.393 17838 3201 1 4 . 1 1 125 125 LEU N N 394 118.500 118.500 114.849 3.651 17838 3202 1 4 . 1 1 125 125 LEU HA H 394 3.890 3.890 4.781 -0.891 17838 3203 1 4 . 1 1 125 125 LEU C C 394 178.170 178.170 176.793 1.377 17838 3204 1 4 . 1 1 125 125 LEU CA C 394 56.880 56.880 54.120 2.760 17838 3205 1 4 . 1 1 125 125 LEU CB C 394 41.730 41.730 40.681 1.049 17838 3206 1 4 . 1 1 125 125 LEU H H 394 7.610 7.610 7.240 0.370 17838 3207 1 4 . 1 1 126 126 ALA N N 395 118.600 118.600 119.914 -1.314 17838 3208 1 4 . 1 1 126 126 ALA HA H 395 4.220 4.220 4.015 0.205 17838 3209 1 4 . 1 1 126 126 ALA C C 395 176.770 176.770 176.673 0.097 17838 3210 1 4 . 1 1 126 126 ALA CA C 395 52.850 52.850 53.403 -0.553 17838 3211 1 4 . 1 1 126 126 ALA CB C 395 19.460 19.460 19.223 0.237 17838 3212 1 4 . 1 1 126 126 ALA H H 395 7.850 7.850 8.155 -0.305 17838 3213 1 4 . 1 1 127 127 ASN N N 396 115.840 115.840 115.371 0.469 17838 3214 1 4 . 1 1 127 127 ASN HA H 396 5.100 5.100 4.819 0.281 17838 3215 1 4 . 1 1 127 127 ASN CA C 396 51.110 51.110 53.219 -2.109 17838 3216 1 4 . 1 1 127 127 ASN CB C 396 40.740 40.740 38.755 1.985 17838 3217 1 4 . 1 1 127 127 ASN H H 396 7.150 7.150 7.722 -0.572 17838 3218 1 4 . 1 1 128 128 PRO HA H 397 4.750 4.750 4.421 0.329 17838 3219 1 4 . 1 1 128 128 PRO C C 397 177.390 177.390 176.849 0.541 17838 3220 1 4 . 1 1 128 128 PRO CA C 397 63.910 63.910 63.279 0.631 17838 3221 1 4 . 1 1 128 128 PRO CB C 397 32.250 32.250 32.171 0.079 17838 3222 1 4 . 1 1 129 129 ARG N N 398 111.560 111.560 117.904 -6.344 17838 3223 1 4 . 1 1 129 129 ARG HA H 398 3.530 3.530 4.773 -1.243 17838 3224 1 4 . 1 1 129 129 ARG C C 398 174.880 174.880 175.622 -0.742 17838 3225 1 4 . 1 1 129 129 ARG CA C 398 58.750 58.750 54.844 3.905 17838 3226 1 4 . 1 1 129 129 ARG CB C 398 29.040 29.040 30.380 -1.340 17838 3227 1 4 . 1 1 129 129 ARG H H 398 8.300 8.300 8.507 -0.207 17838 3228 1 4 . 1 1 130 130 ARG N N 399 120.840 120.840 122.540 -1.700 17838 3229 1 4 . 1 1 130 130 ARG HA H 399 4.800 4.800 4.544 0.256 17838 3230 1 4 . 1 1 130 130 ARG CA C 399 53.050 53.050 52.617 0.433 17838 3231 1 4 . 1 1 130 130 ARG CB C 399 31.420 31.420 29.390 2.030 17838 3232 1 4 . 1 1 130 130 ARG H H 399 7.980 7.980 8.305 -0.325 17838 3233 1 4 . 1 1 131 131 PRO HA H 400 4.810 4.810 4.534 0.276 17838 3234 1 4 . 1 1 131 131 PRO C C 400 176.610 176.610 175.284 1.326 17838 3235 1 4 . 1 1 131 131 PRO CA C 400 61.490 61.490 62.353 -0.863 17838 3236 1 4 . 1 1 131 131 PRO CB C 400 43.560 43.560 31.233 12.327 17838 3237 1 4 . 1 1 132 132 ILE N N 401 123.900 123.900 124.919 -1.019 17838 3238 1 4 . 1 1 132 132 ILE HA H 401 4.530 4.530 4.164 0.366 17838 3239 1 4 . 1 1 132 132 ILE C C 401 176.480 176.480 174.986 1.494 17838 3240 1 4 . 1 1 132 132 ILE CA C 401 58.360 58.360 59.367 -1.007 17838 3241 1 4 . 1 1 132 132 ILE CB C 401 39.250 39.250 37.162 2.088 17838 3242 1 4 . 1 1 132 132 ILE H H 401 9.000 9.000 7.684 1.316 17838 3243 1 4 . 1 1 133 133 ALA N N 402 137.830 137.830 131.388 6.442 17838 3244 1 4 . 1 1 133 133 ALA HA H 402 4.920 4.920 4.810 0.110 17838 3245 1 4 . 1 1 133 133 ALA C C 402 175.260 175.260 176.731 -1.471 17838 3246 1 4 . 1 1 133 133 ALA CA C 402 51.090 51.090 51.356 -0.266 17838 3247 1 4 . 1 1 133 133 ALA CB C 402 20.360 20.360 19.888 0.472 17838 3248 1 4 . 1 1 133 133 ALA H H 402 9.560 9.560 8.615 0.945 17838 3249 1 4 . 1 1 134 134 GLN N N 403 119.730 119.730 124.223 -4.493 17838 3250 1 4 . 1 1 134 134 GLN HA H 403 4.020 4.020 4.682 -0.662 17838 3251 1 4 . 1 1 134 134 GLN C C 403 173.700 173.700 173.888 -0.188 17838 3252 1 4 . 1 1 134 134 GLN CA C 403 55.050 55.050 54.114 0.936 17838 3253 1 4 . 1 1 134 134 GLN CB C 403 32.660 32.660 31.602 1.058 17838 3254 1 4 . 1 1 134 134 GLN H H 403 7.620 7.620 8.797 -1.177 17838 3255 1 4 . 1 1 135 135 TRP N N 404 123.420 123.420 119.773 3.647 17838 3256 1 4 . 1 1 135 135 TRP HA H 404 4.510 4.510 5.454 -0.944 17838 3257 1 4 . 1 1 135 135 TRP C C 404 176.280 176.280 175.375 0.905 17838 3258 1 4 . 1 1 135 135 TRP CA C 404 57.880 57.880 55.254 2.626 17838 3259 1 4 . 1 1 135 135 TRP CB C 404 30.110 30.110 31.774 -1.664 17838 3260 1 4 . 1 1 135 135 TRP H H 404 8.310 8.310 7.710 0.600 17838 3261 1 4 . 1 1 136 136 HIS N N 405 117.210 117.210 123.026 -5.816 17838 3262 1 4 . 1 1 136 136 HIS HA H 405 4.810 4.810 4.947 -0.137 17838 3263 1 4 . 1 1 136 136 HIS C C 405 173.490 173.490 174.655 -1.165 17838 3264 1 4 . 1 1 136 136 HIS CA C 405 55.160 55.160 55.681 -0.521 17838 3265 1 4 . 1 1 136 136 HIS CB C 405 33.410 33.410 33.654 -0.244 17838 3266 1 4 . 1 1 136 136 HIS H H 405 9.470 9.470 8.283 1.187 17838 3267 1 4 . 1 1 137 137 THR N N 406 122.780 122.780 121.138 1.642 17838 3268 1 4 . 1 1 137 137 THR HA H 406 4.840 4.840 4.351 0.489 17838 3269 1 4 . 1 1 137 137 THR C C 406 174.350 174.350 174.062 0.288 17838 3270 1 4 . 1 1 137 137 THR CA C 406 62.650 62.650 63.517 -0.867 17838 3271 1 4 . 1 1 137 137 THR CB C 406 70.330 70.330 69.046 1.284 17838 3272 1 4 . 1 1 137 137 THR H H 406 9.430 9.430 8.078 1.352 17838 3273 1 4 . 1 1 138 138 LEU N N 407 124.890 124.890 125.520 -0.630 17838 3274 1 4 . 1 1 138 138 LEU HA H 407 3.910 3.910 4.519 -0.609 17838 3275 1 4 . 1 1 138 138 LEU C C 407 175.480 175.480 176.479 -0.999 17838 3276 1 4 . 1 1 138 138 LEU CA C 407 55.950 55.950 54.037 1.913 17838 3277 1 4 . 1 1 138 138 LEU CB C 407 43.050 43.050 44.346 -1.296 17838 3278 1 4 . 1 1 138 138 LEU H H 407 8.730 8.730 8.717 0.013 17838 3279 1 4 . 1 1 139 139 GLN N N 408 119.630 119.630 120.991 -1.361 17838 3280 1 4 . 1 1 139 139 GLN HA H 408 4.680 4.680 4.779 -0.099 17838 3281 1 4 . 1 1 139 139 GLN C C 408 175.100 175.100 175.306 -0.206 17838 3282 1 4 . 1 1 139 139 GLN CA C 408 53.830 53.830 53.733 0.097 17838 3283 1 4 . 1 1 139 139 GLN CB C 408 32.150 32.150 31.828 0.322 17838 3284 1 4 . 1 1 139 139 GLN H H 408 8.470 8.470 8.453 0.017 17838 3285 1 4 . 1 1 140 140 VAL N N 409 119.820 119.820 115.487 4.333 17838 3286 1 4 . 1 1 140 140 VAL HA H 409 3.850 3.850 4.412 -0.562 17838 3287 1 4 . 1 1 140 140 VAL C C 409 178.020 178.020 177.823 0.197 17838 3288 1 4 . 1 1 140 140 VAL CA C 409 63.130 63.130 62.397 0.733 17838 3289 1 4 . 1 1 140 140 VAL CB C 409 32.500 32.500 32.380 0.120 17838 3290 1 4 . 1 1 140 140 VAL H H 409 8.410 8.410 8.405 0.005 17838 3291 1 4 . 1 1 141 141 GLU N N 410 127.170 127.170 121.743 5.427 17838 3292 1 4 . 1 1 141 141 GLU HA H 410 3.490 3.490 3.967 -0.477 17838 3293 1 4 . 1 1 141 141 GLU C C 410 176.850 176.850 178.559 -1.709 17838 3294 1 4 . 1 1 141 141 GLU CA C 410 60.610 60.610 59.814 0.796 17838 3295 1 4 . 1 1 141 141 GLU CB C 410 29.530 29.530 28.790 0.740 17838 3296 1 4 . 1 1 141 141 GLU H H 410 8.940 8.940 8.885 0.055 17838 3297 1 4 . 1 1 142 142 GLU N N 411 115.780 115.780 120.080 -4.300 17838 3298 1 4 . 1 1 142 142 GLU HA H 411 3.950 3.950 3.980 -0.030 17838 3299 1 4 . 1 1 142 142 GLU C C 411 179.050 179.050 178.909 0.141 17838 3300 1 4 . 1 1 142 142 GLU CA C 411 59.920 59.920 59.555 0.365 17838 3301 1 4 . 1 1 142 142 GLU CB C 411 28.940 28.940 28.887 0.053 17838 3302 1 4 . 1 1 142 142 GLU H H 411 9.070 9.070 8.550 0.520 17838 3303 1 4 . 1 1 143 143 GLU N N 412 118.520 118.520 118.286 0.234 17838 3304 1 4 . 1 1 143 143 GLU HA H 412 4.050 4.050 4.183 -0.133 17838 3305 1 4 . 1 1 143 143 GLU C C 412 178.870 178.870 179.178 -0.308 17838 3306 1 4 . 1 1 143 143 GLU CA C 412 58.590 58.590 58.653 -0.063 17838 3307 1 4 . 1 1 143 143 GLU CB C 412 29.190 29.190 29.313 -0.123 17838 3308 1 4 . 1 1 143 143 GLU H H 412 7.080 7.080 7.740 -0.660 17838 3309 1 4 . 1 1 144 144 VAL N N 413 121.110 121.110 119.963 1.147 17838 3310 1 4 . 1 1 144 144 VAL HA H 413 3.680 3.680 3.866 -0.186 17838 3311 1 4 . 1 1 144 144 VAL C C 413 177.970 177.970 177.711 0.259 17838 3312 1 4 . 1 1 144 144 VAL CA C 413 66.140 66.140 65.644 0.496 17838 3313 1 4 . 1 1 144 144 VAL CB C 413 31.620 31.620 31.605 0.016 17838 3314 1 4 . 1 1 144 144 VAL H H 413 7.550 7.550 7.636 -0.086 17838 3315 1 4 . 1 1 145 145 ASP N N 414 120.040 120.040 120.611 -0.571 17838 3316 1 4 . 1 1 145 145 ASP HA H 414 4.020 4.020 4.314 -0.294 17838 3317 1 4 . 1 1 145 145 ASP C C 414 178.910 178.910 177.337 1.573 17838 3318 1 4 . 1 1 145 145 ASP CA C 414 57.620 57.620 57.532 0.088 17838 3319 1 4 . 1 1 145 145 ASP CB C 414 38.690 38.690 40.901 -2.211 17838 3320 1 4 . 1 1 145 145 ASP H H 414 8.660 8.660 8.748 -0.088 17838 3321 1 4 . 1 1 146 146 ALA N N 415 121.010 121.010 118.137 2.873 17838 3322 1 4 . 1 1 146 146 ALA HA H 415 4.020 4.020 4.578 -0.558 17838 3323 1 4 . 1 1 146 146 ALA C C 415 179.930 179.930 177.530 2.400 17838 3324 1 4 . 1 1 146 146 ALA CA C 415 54.820 54.820 52.072 2.748 17838 3325 1 4 . 1 1 146 146 ALA CB C 415 17.910 17.910 19.175 -1.265 17838 3326 1 4 . 1 1 146 146 ALA H H 415 7.270 7.270 7.442 -0.172 17838 3327 1 4 . 1 1 147 147 MET N N 416 116.980 116.980 117.701 -0.721 17838 3328 1 4 . 1 1 147 147 MET HA H 416 4.150 4.150 4.573 -0.423 17838 3329 1 4 . 1 1 147 147 MET C C 416 177.990 177.990 176.738 1.252 17838 3330 1 4 . 1 1 147 147 MET CA C 416 57.600 57.600 55.464 2.136 17838 3331 1 4 . 1 1 147 147 MET CB C 416 33.140 33.140 35.047 -1.907 17838 3332 1 4 . 1 1 147 147 MET H H 416 7.410 7.410 7.779 -0.369 17838 3333 1 4 . 1 1 148 148 LEU N N 417 118.550 118.550 119.288 -0.738 17838 3334 1 4 . 1 1 148 148 LEU HA H 417 3.540 3.540 4.417 -0.877 17838 3335 1 4 . 1 1 148 148 LEU C C 417 176.810 176.810 176.291 0.519 17838 3336 1 4 . 1 1 148 148 LEU CA C 417 55.670 55.670 57.097 -1.427 17838 3337 1 4 . 1 1 148 148 LEU CB C 417 42.650 42.650 41.426 1.224 17838 3338 1 4 . 1 1 148 148 LEU H H 417 7.560 7.560 8.053 -0.493 17838 3339 1 4 . 1 1 149 149 ALA N N 418 119.940 119.940 122.522 -2.582 17838 3340 1 4 . 1 1 149 149 ALA HA H 418 4.010 4.010 4.186 -0.176 17838 3341 1 4 . 1 1 149 149 ALA C C 418 177.010 177.010 176.895 0.115 17838 3342 1 4 . 1 1 149 149 ALA CA C 418 52.310 52.310 51.576 0.734 17838 3343 1 4 . 1 1 149 149 ALA CB C 418 18.700 18.700 17.908 0.792 17838 3344 1 4 . 1 1 149 149 ALA H H 418 7.080 7.080 7.849 -0.769 17838 3345 1 4 . 1 1 150 150 VAL N N 419 118.810 118.810 121.894 -3.084 17838 3346 1 4 . 1 1 150 150 VAL HA H 419 3.840 3.840 3.715 0.125 17838 3347 1 4 . 1 1 150 150 VAL C C 419 175.760 175.760 175.531 0.229 17838 3348 1 4 . 1 1 150 150 VAL CA C 419 62.930 62.930 63.486 -0.556 17838 3349 1 4 . 1 1 150 150 VAL CB C 419 32.450 32.450 30.892 1.558 17838 3350 1 4 . 1 1 150 150 VAL H H 419 7.560 7.560 7.990 -0.430 17838 3351 1 4 . 1 1 151 151 LYS N N 420 126.620 126.620 123.075 3.545 17838 3352 1 4 . 1 1 151 151 LYS HA H 420 4.260 4.260 4.233 0.027 17838 3353 1 4 . 1 1 151 151 LYS C C 420 175.210 175.210 175.655 -0.445 17838 3354 1 4 . 1 1 151 151 LYS CA C 420 56.050 56.050 56.286 -0.236 17838 3355 1 4 . 1 1 151 151 LYS CB C 420 33.050 33.050 33.759 -0.709 17838 3356 1 4 . 1 1 151 151 LYS H H 420 8.290 8.290 8.678 -0.388 17838 3357 1 5 . 1 1 3 3 LYS N N 272 123.800 123.800 121.032 2.768 17838 3358 1 5 . 1 1 3 3 LYS HA H 272 4.190 4.190 4.002 0.188 17838 3359 1 5 . 1 1 3 3 LYS C C 272 176.410 176.410 175.130 1.280 17838 3360 1 5 . 1 1 3 3 LYS CA C 272 56.160 56.160 57.143 -0.983 17838 3361 1 5 . 1 1 3 3 LYS CB C 272 31.950 31.950 31.044 0.906 17838 3362 1 5 . 1 1 3 3 LYS H H 272 8.470 8.470 8.755 -0.285 17838 3363 1 5 . 1 1 4 4 LEU N N 273 125.150 125.150 118.632 6.518 17838 3364 1 5 . 1 1 4 4 LEU HA H 273 4.200 4.200 4.548 -0.348 17838 3365 1 5 . 1 1 4 4 LEU C C 273 175.130 175.130 175.752 -0.622 17838 3366 1 5 . 1 1 4 4 LEU CA C 273 55.940 55.940 54.052 1.888 17838 3367 1 5 . 1 1 4 4 LEU CB C 273 43.330 43.330 42.251 1.079 17838 3368 1 5 . 1 1 4 4 LEU H H 273 8.610 8.610 8.261 0.349 17838 3369 1 5 . 1 1 5 5 GLY N N 274 102.380 102.380 105.312 -2.932 17838 3370 1 5 . 1 1 5 5 GLY C C 274 171.630 171.630 172.182 -0.552 17838 3371 1 5 . 1 1 5 5 GLY CA C 274 44.480 44.480 44.787 -0.307 17838 3372 1 5 . 1 1 5 5 GLY H H 274 7.170 7.170 7.576 -0.406 17838 3373 1 5 . 1 1 6 6 ASP N N 275 116.430 116.430 125.583 -9.153 17838 3374 1 5 . 1 1 6 6 ASP HA H 275 5.760 5.760 5.414 0.346 17838 3375 1 5 . 1 1 6 6 ASP C C 275 174.880 174.880 174.307 0.573 17838 3376 1 5 . 1 1 6 6 ASP CA C 275 53.160 53.160 54.249 -1.089 17838 3377 1 5 . 1 1 6 6 ASP CB C 275 45.720 45.720 43.390 2.330 17838 3378 1 5 . 1 1 6 6 ASP H H 275 8.500 8.500 8.361 0.139 17838 3379 1 5 . 1 1 7 7 ILE N N 276 118.640 118.640 123.285 -4.645 17838 3380 1 5 . 1 1 7 7 ILE HA H 276 5.220 5.220 4.495 0.725 17838 3381 1 5 . 1 1 7 7 ILE C C 276 173.900 173.900 174.266 -0.366 17838 3382 1 5 . 1 1 7 7 ILE CA C 276 58.730 58.730 60.350 -1.620 17838 3383 1 5 . 1 1 7 7 ILE CB C 276 43.680 43.680 43.241 0.439 17838 3384 1 5 . 1 1 7 7 ILE H H 276 9.930 9.930 8.462 1.468 17838 3385 1 5 . 1 1 8 8 CYS N N 277 128.550 128.550 126.887 1.663 17838 3386 1 5 . 1 1 8 8 CYS HA H 277 4.560 4.560 4.781 -0.221 17838 3387 1 5 . 1 1 8 8 CYS C C 277 173.900 173.900 173.628 0.272 17838 3388 1 5 . 1 1 8 8 CYS CA C 277 56.340 56.340 56.867 -0.527 17838 3389 1 5 . 1 1 8 8 CYS CB C 277 25.930 25.930 27.548 -1.618 17838 3390 1 5 . 1 1 8 8 CYS H H 277 8.920 8.920 8.922 -0.002 17838 3391 1 5 . 1 1 9 9 PHE N N 278 121.320 121.320 125.116 -3.796 17838 3392 1 5 . 1 1 9 9 PHE HA H 278 5.330 5.330 5.095 0.235 17838 3393 1 5 . 1 1 9 9 PHE C C 278 173.180 173.180 174.387 -1.207 17838 3394 1 5 . 1 1 9 9 PHE CA C 278 54.720 54.720 54.815 -0.095 17838 3395 1 5 . 1 1 9 9 PHE CB C 278 43.080 43.080 40.454 2.626 17838 3396 1 5 . 1 1 9 9 PHE H H 278 7.650 7.650 7.645 0.005 17838 3397 1 5 . 1 1 10 10 SER N N 279 116.160 116.160 117.762 -1.602 17838 3398 1 5 . 1 1 10 10 SER HA H 279 5.870 5.870 4.959 0.911 17838 3399 1 5 . 1 1 10 10 SER C C 279 172.820 172.820 173.843 -1.023 17838 3400 1 5 . 1 1 10 10 SER CA C 279 54.990 54.990 57.695 -2.705 17838 3401 1 5 . 1 1 10 10 SER CB C 279 66.260 66.260 63.912 2.348 17838 3402 1 5 . 1 1 10 10 SER H H 279 9.920 9.920 9.113 0.807 17838 3403 1 5 . 1 1 11 11 LEU N N 280 121.460 121.460 125.899 -4.439 17838 3404 1 5 . 1 1 11 11 LEU HA H 280 5.100 5.100 4.524 0.576 17838 3405 1 5 . 1 1 11 11 LEU C C 280 174.900 174.900 175.929 -1.029 17838 3406 1 5 . 1 1 11 11 LEU CA C 280 53.020 53.020 54.533 -1.513 17838 3407 1 5 . 1 1 11 11 LEU CB C 280 46.790 46.790 40.706 6.084 17838 3408 1 5 . 1 1 11 11 LEU H H 280 8.270 8.270 7.845 0.425 17838 3409 1 5 . 1 1 12 12 ARG N N 281 120.480 120.480 121.309 -0.829 17838 3410 1 5 . 1 1 12 12 ARG HA H 281 4.740 4.740 4.633 0.107 17838 3411 1 5 . 1 1 12 12 ARG C C 281 173.410 173.410 173.246 0.164 17838 3412 1 5 . 1 1 12 12 ARG CA C 281 54.810 54.810 54.966 -0.156 17838 3413 1 5 . 1 1 12 12 ARG CB C 281 34.560 34.560 33.542 1.018 17838 3414 1 5 . 1 1 12 12 ARG H H 281 8.240 8.240 8.001 0.239 17838 3415 1 5 . 1 1 13 13 TYR N N 282 127.490 127.490 121.129 6.361 17838 3416 1 5 . 1 1 13 13 TYR HA H 282 5.490 5.490 4.803 0.687 17838 3417 1 5 . 1 1 13 13 TYR C C 282 174.270 174.270 173.768 0.502 17838 3418 1 5 . 1 1 13 13 TYR CA C 282 56.410 56.410 56.280 0.130 17838 3419 1 5 . 1 1 13 13 TYR CB C 282 39.740 39.740 43.035 -3.295 17838 3420 1 5 . 1 1 13 13 TYR H H 282 9.370 9.370 7.990 1.380 17838 3421 1 5 . 1 1 14 14 VAL N N 283 127.660 127.660 124.006 3.654 17838 3422 1 5 . 1 1 14 14 VAL HA H 283 4.240 4.240 4.401 -0.161 17838 3423 1 5 . 1 1 14 14 VAL CA C 283 58.700 58.700 59.202 -0.502 17838 3424 1 5 . 1 1 14 14 VAL CB C 283 32.450 32.450 32.146 0.304 17838 3425 1 5 . 1 1 14 14 VAL H H 283 7.480 7.480 8.290 -0.810 17838 3426 1 5 . 1 1 15 15 PRO HA H 284 3.780 3.780 4.535 -0.755 17838 3427 1 5 . 1 1 15 15 PRO C C 284 178.150 178.150 176.939 1.211 17838 3428 1 5 . 1 1 15 15 PRO CA C 284 65.540 65.540 64.827 0.713 17838 3429 1 5 . 1 1 15 15 PRO CB C 284 32.360 32.360 31.528 0.832 17838 3430 1 5 . 1 1 16 16 THR N N 285 109.040 109.040 109.911 -0.871 17838 3431 1 5 . 1 1 16 16 THR HA H 285 3.850 3.850 4.327 -0.477 17838 3432 1 5 . 1 1 16 16 THR C C 285 174.880 174.880 174.253 0.627 17838 3433 1 5 . 1 1 16 16 THR CA C 285 64.490 64.490 62.382 2.108 17838 3434 1 5 . 1 1 16 16 THR CB C 285 68.150 68.150 68.459 -0.309 17838 3435 1 5 . 1 1 16 16 THR H H 285 7.690 7.690 7.909 -0.219 17838 3436 1 5 . 1 1 17 17 ALA N N 286 119.760 119.760 123.162 -3.402 17838 3437 1 5 . 1 1 17 17 ALA HA H 286 4.380 4.380 4.494 -0.114 17838 3438 1 5 . 1 1 17 17 ALA C C 286 177.040 177.040 176.878 0.162 17838 3439 1 5 . 1 1 17 17 ALA CA C 286 51.450 51.450 52.213 -0.763 17838 3440 1 5 . 1 1 17 17 ALA CB C 286 20.320 20.320 20.649 -0.329 17838 3441 1 5 . 1 1 17 17 ALA H H 286 6.520 6.520 7.354 -0.834 17838 3442 1 5 . 1 1 18 18 GLY N N 287 109.040 109.040 109.114 -0.074 17838 3443 1 5 . 1 1 18 18 GLY C C 287 173.990 173.990 172.746 1.244 17838 3444 1 5 . 1 1 18 18 GLY CA C 287 47.150 47.150 45.035 2.115 17838 3445 1 5 . 1 1 18 18 GLY H H 287 7.690 7.690 8.299 -0.609 17838 3446 1 5 . 1 1 19 19 LYS N N 288 117.030 117.030 115.293 1.737 17838 3447 1 5 . 1 1 19 19 LYS HA H 288 4.890 4.890 4.744 0.146 17838 3448 1 5 . 1 1 19 19 LYS C C 288 173.910 173.910 173.924 -0.014 17838 3449 1 5 . 1 1 19 19 LYS CA C 288 55.100 55.100 54.295 0.805 17838 3450 1 5 . 1 1 19 19 LYS CB C 288 35.520 35.520 35.829 -0.309 17838 3451 1 5 . 1 1 19 19 LYS H H 288 6.630 6.630 7.020 -0.390 17838 3452 1 5 . 1 1 20 20 LEU N N 289 131.970 131.970 121.135 10.835 17838 3453 1 5 . 1 1 20 20 LEU HA H 289 5.480 5.480 4.538 0.942 17838 3454 1 5 . 1 1 20 20 LEU C C 289 174.750 174.750 176.766 -2.016 17838 3455 1 5 . 1 1 20 20 LEU CA C 289 53.620 53.620 55.111 -1.491 17838 3456 1 5 . 1 1 20 20 LEU CB C 289 45.840 45.840 43.738 2.102 17838 3457 1 5 . 1 1 20 20 LEU H H 289 9.260 9.260 8.965 0.295 17838 3458 1 5 . 1 1 21 21 THR N N 290 124.180 124.180 118.790 5.390 17838 3459 1 5 . 1 1 21 21 THR HA H 290 5.260 5.260 4.980 0.280 17838 3460 1 5 . 1 1 21 21 THR C C 290 173.650 173.650 173.847 -0.197 17838 3461 1 5 . 1 1 21 21 THR CA C 290 62.070 62.070 62.195 -0.125 17838 3462 1 5 . 1 1 21 21 THR CB C 290 70.920 70.920 69.478 1.442 17838 3463 1 5 . 1 1 21 21 THR H H 290 9.770 9.770 8.211 1.559 17838 3464 1 5 . 1 1 22 22 VAL N N 291 129.970 129.970 128.819 1.151 17838 3465 1 5 . 1 1 22 22 VAL HA H 291 5.010 5.010 4.338 0.672 17838 3466 1 5 . 1 1 22 22 VAL C C 291 174.510 174.510 175.440 -0.930 17838 3467 1 5 . 1 1 22 22 VAL CA C 291 59.970 59.970 62.042 -2.072 17838 3468 1 5 . 1 1 22 22 VAL CB C 291 34.900 34.900 32.163 2.737 17838 3469 1 5 . 1 1 22 22 VAL H H 291 9.510 9.510 8.786 0.724 17838 3470 1 5 . 1 1 23 23 VAL N N 292 125.670 125.670 126.765 -1.095 17838 3471 1 5 . 1 1 23 23 VAL HA H 292 4.830 4.830 5.121 -0.291 17838 3472 1 5 . 1 1 23 23 VAL C C 292 177.610 177.610 175.807 1.803 17838 3473 1 5 . 1 1 23 23 VAL CA C 292 60.370 60.370 60.515 -0.145 17838 3474 1 5 . 1 1 23 23 VAL CB C 292 32.230 32.230 32.142 0.088 17838 3475 1 5 . 1 1 23 23 VAL H H 292 8.650 8.650 8.182 0.468 17838 3476 1 5 . 1 1 24 24 ILE N N 293 125.630 125.630 128.812 -3.182 17838 3477 1 5 . 1 1 24 24 ILE HA H 293 4.010 4.010 4.320 -0.310 17838 3478 1 5 . 1 1 24 24 ILE C C 293 175.140 175.140 176.056 -0.916 17838 3479 1 5 . 1 1 24 24 ILE CA C 293 58.560 58.560 61.541 -2.981 17838 3480 1 5 . 1 1 24 24 ILE CB C 293 34.580 34.580 37.496 -2.916 17838 3481 1 5 . 1 1 24 24 ILE H H 293 9.100 9.100 8.389 0.711 17838 3482 1 5 . 1 1 25 25 LEU N N 294 130.570 130.570 129.233 1.337 17838 3483 1 5 . 1 1 25 25 LEU HA H 294 4.110 4.110 4.271 -0.161 17838 3484 1 5 . 1 1 25 25 LEU C C 294 175.250 175.250 176.887 -1.637 17838 3485 1 5 . 1 1 25 25 LEU CA C 294 58.210 58.210 57.253 0.957 17838 3486 1 5 . 1 1 25 25 LEU CB C 294 41.470 41.470 42.419 -0.949 17838 3487 1 5 . 1 1 25 25 LEU H H 294 8.260 8.260 8.332 -0.072 17838 3488 1 5 . 1 1 26 26 GLU N N 295 111.970 111.970 112.180 -0.210 17838 3489 1 5 . 1 1 26 26 GLU HA H 295 5.050 5.050 5.276 -0.226 17838 3490 1 5 . 1 1 26 26 GLU C C 295 172.250 172.250 174.603 -2.353 17838 3491 1 5 . 1 1 26 26 GLU CA C 295 54.970 54.970 54.823 0.147 17838 3492 1 5 . 1 1 26 26 GLU CB C 295 32.990 32.990 33.392 -0.402 17838 3493 1 5 . 1 1 26 26 GLU H H 295 7.490 7.490 7.717 -0.227 17838 3494 1 5 . 1 1 27 27 ALA N N 296 121.530 121.530 120.249 1.281 17838 3495 1 5 . 1 1 27 27 ALA HA H 296 5.550 5.550 4.655 0.895 17838 3496 1 5 . 1 1 27 27 ALA C C 296 174.560 174.560 175.432 -0.872 17838 3497 1 5 . 1 1 27 27 ALA CA C 296 50.780 50.780 51.716 -0.936 17838 3498 1 5 . 1 1 27 27 ALA CB C 296 22.690 22.690 22.456 0.234 17838 3499 1 5 . 1 1 27 27 ALA H H 296 9.170 9.170 8.526 0.644 17838 3500 1 5 . 1 1 28 28 LYS N N 297 116.690 116.690 119.833 -3.143 17838 3501 1 5 . 1 1 28 28 LYS HA H 297 5.380 5.380 4.788 0.592 17838 3502 1 5 . 1 1 28 28 LYS C C 297 174.200 174.200 175.468 -1.268 17838 3503 1 5 . 1 1 28 28 LYS CA C 297 54.970 54.970 55.636 -0.666 17838 3504 1 5 . 1 1 28 28 LYS CB C 297 37.660 37.660 32.028 5.632 17838 3505 1 5 . 1 1 28 28 LYS H H 297 9.190 9.190 8.777 0.413 17838 3506 1 5 . 1 1 29 29 ASN N N 298 115.540 115.540 116.470 -0.930 17838 3507 1 5 . 1 1 29 29 ASN HA H 298 4.150 4.150 4.865 -0.715 17838 3508 1 5 . 1 1 29 29 ASN C C 298 173.850 173.850 174.832 -0.982 17838 3509 1 5 . 1 1 29 29 ASN CA C 298 53.600 53.600 53.294 0.306 17838 3510 1 5 . 1 1 29 29 ASN CB C 298 37.000 37.000 40.085 -3.085 17838 3511 1 5 . 1 1 29 29 ASN H H 298 8.640 8.640 8.207 0.433 17838 3512 1 5 . 1 1 30 30 LEU N N 299 114.360 114.360 123.859 -9.499 17838 3513 1 5 . 1 1 30 30 LEU HA H 299 4.500 4.500 4.518 -0.018 17838 3514 1 5 . 1 1 30 30 LEU C C 299 174.750 174.750 175.498 -0.748 17838 3515 1 5 . 1 1 30 30 LEU CA C 299 55.010 55.010 53.863 1.147 17838 3516 1 5 . 1 1 30 30 LEU CB C 299 42.820 42.820 39.987 2.833 17838 3517 1 5 . 1 1 30 30 LEU H H 299 8.210 8.210 7.687 0.523 17838 3518 1 5 . 1 1 31 31 LYS N N 300 119.660 119.660 123.657 -3.997 17838 3519 1 5 . 1 1 31 31 LYS HA H 300 3.900 3.900 4.280 -0.380 17838 3520 1 5 . 1 1 31 31 LYS C C 300 175.130 175.130 175.670 -0.540 17838 3521 1 5 . 1 1 31 31 LYS CA C 300 56.630 56.630 55.961 0.669 17838 3522 1 5 . 1 1 31 31 LYS CB C 300 35.060 35.060 34.134 0.926 17838 3523 1 5 . 1 1 31 31 LYS H H 300 6.830 6.830 7.721 -0.891 17838 3524 1 5 . 1 1 32 32 LYS N N 301 124.550 124.550 123.634 0.916 17838 3525 1 5 . 1 1 32 32 LYS HA H 301 3.760 3.760 4.223 -0.464 17838 3526 1 5 . 1 1 32 32 LYS C C 301 175.590 175.590 176.934 -1.344 17838 3527 1 5 . 1 1 32 32 LYS CA C 301 56.900 56.900 57.838 -0.938 17838 3528 1 5 . 1 1 32 32 LYS CB C 301 32.990 32.990 31.405 1.585 17838 3529 1 5 . 1 1 32 32 LYS H H 301 8.060 8.060 8.589 -0.529 17838 3530 1 5 . 1 1 33 33 MET N N 302 122.790 122.790 120.034 2.756 17838 3531 1 5 . 1 1 33 33 MET HA H 302 4.720 4.720 4.585 0.135 17838 3532 1 5 . 1 1 33 33 MET C C 302 176.510 176.510 175.962 0.548 17838 3533 1 5 . 1 1 33 33 MET CA C 302 53.860 53.860 55.005 -1.145 17838 3534 1 5 . 1 1 33 33 MET CB C 302 32.590 32.590 33.188 -0.598 17838 3535 1 5 . 1 1 33 33 MET H H 302 7.970 7.970 8.255 -0.285 17838 3536 1 5 . 1 1 34 34 ASP N N 303 124.630 124.630 121.885 2.745 17838 3537 1 5 . 1 1 34 34 ASP HA H 303 5.030 5.030 4.680 0.350 17838 3538 1 5 . 1 1 34 34 ASP CA C 303 52.810 52.810 53.572 -0.762 17838 3539 1 5 . 1 1 34 34 ASP CB C 303 41.950 41.950 42.486 -0.536 17838 3540 1 5 . 1 1 34 34 ASP H H 303 8.080 8.080 7.871 0.209 17838 3541 1 5 . 1 1 35 35 VAL N N 304 125.910 125.910 123.744 2.166 17838 3542 1 5 . 1 1 35 35 VAL HA H 304 3.690 3.690 3.959 -0.269 17838 3543 1 5 . 1 1 35 35 VAL C C 304 176.820 176.820 176.312 0.508 17838 3544 1 5 . 1 1 35 35 VAL CA C 304 64.750 64.750 62.693 2.057 17838 3545 1 5 . 1 1 35 35 VAL CB C 304 31.120 31.120 30.371 0.749 17838 3546 1 5 . 1 1 35 35 VAL H H 304 8.760 8.760 8.574 0.186 17838 3547 1 5 . 1 1 36 36 GLY N N 305 115.560 115.560 115.054 0.506 17838 3548 1 5 . 1 1 36 36 GLY C C 305 174.160 174.160 174.210 -0.050 17838 3549 1 5 . 1 1 36 36 GLY CA C 305 45.740 45.740 44.981 0.759 17838 3550 1 5 . 1 1 36 36 GLY H H 305 8.830 8.830 8.006 0.824 17838 3551 1 5 . 1 1 37 37 GLY N N 306 109.040 109.040 106.604 2.436 17838 3552 1 5 . 1 1 37 37 GLY C C 306 173.030 173.030 172.461 0.569 17838 3553 1 5 . 1 1 37 37 GLY CA C 306 45.040 45.040 44.815 0.225 17838 3554 1 5 . 1 1 37 37 GLY H H 306 7.690 7.690 7.425 0.265 17838 3555 1 5 . 1 1 38 38 LEU N N 307 124.610 124.610 119.679 4.931 17838 3556 1 5 . 1 1 38 38 LEU HA H 307 4.580 4.580 4.771 -0.191 17838 3557 1 5 . 1 1 38 38 LEU CA C 307 53.470 53.470 53.836 -0.366 17838 3558 1 5 . 1 1 38 38 LEU CB C 307 42.060 42.060 45.312 -3.252 17838 3559 1 5 . 1 1 38 38 LEU H H 307 8.410 8.410 8.474 -0.064 17838 3560 1 5 . 1 1 39 39 SER N N 308 115.270 115.270 113.311 1.959 17838 3561 1 5 . 1 1 39 39 SER HA H 308 4.490 4.490 4.573 -0.083 17838 3562 1 5 . 1 1 39 39 SER CA C 308 57.250 57.250 57.702 -0.452 17838 3563 1 5 . 1 1 39 39 SER CB C 308 68.290 68.290 65.919 2.371 17838 3564 1 5 . 1 1 39 39 SER H H 308 7.080 7.080 8.236 -1.156 17838 3565 1 5 . 1 1 40 40 ASP N N 309 121.280 121.280 121.508 -0.228 17838 3566 1 5 . 1 1 40 40 ASP HA H 309 5.880 5.880 5.316 0.564 17838 3567 1 5 . 1 1 40 40 ASP CA C 309 52.000 52.000 51.724 0.277 17838 3568 1 5 . 1 1 40 40 ASP CB C 309 42.350 42.350 42.188 0.162 17838 3569 1 5 . 1 1 40 40 ASP H H 309 9.270 9.270 9.119 0.151 17838 3570 1 5 . 1 1 41 41 PRO HA H 310 5.680 5.680 4.410 1.270 17838 3571 1 5 . 1 1 41 41 PRO C C 310 179.050 179.050 175.594 3.456 17838 3572 1 5 . 1 1 41 41 PRO CA C 310 62.970 62.970 62.885 0.085 17838 3573 1 5 . 1 1 41 41 PRO CB C 310 32.940 32.940 32.349 0.591 17838 3574 1 5 . 1 1 42 42 TYR N N 311 122.860 122.860 123.177 -0.317 17838 3575 1 5 . 1 1 42 42 TYR HA H 311 4.740 4.740 4.744 -0.004 17838 3576 1 5 . 1 1 42 42 TYR C C 311 170.780 170.780 173.128 -2.348 17838 3577 1 5 . 1 1 42 42 TYR CA C 311 55.640 55.640 57.919 -2.279 17838 3578 1 5 . 1 1 42 42 TYR CB C 311 41.950 41.950 41.254 0.696 17838 3579 1 5 . 1 1 42 42 TYR H H 311 9.130 9.130 8.161 0.969 17838 3580 1 5 . 1 1 43 43 VAL N N 312 120.460 120.460 122.551 -2.091 17838 3581 1 5 . 1 1 43 43 VAL HA H 312 4.840 4.840 5.038 -0.198 17838 3582 1 5 . 1 1 43 43 VAL C C 312 174.430 174.430 173.424 1.006 17838 3583 1 5 . 1 1 43 43 VAL CA C 312 60.110 60.110 58.710 1.400 17838 3584 1 5 . 1 1 43 43 VAL CB C 312 33.430 33.430 36.214 -2.784 17838 3585 1 5 . 1 1 43 43 VAL H H 312 8.570 8.570 7.925 0.645 17838 3586 1 5 . 1 1 44 44 LYS N N 313 125.500 125.500 118.232 7.268 17838 3587 1 5 . 1 1 44 44 LYS HA H 313 4.840 4.840 4.971 -0.131 17838 3588 1 5 . 1 1 44 44 LYS C C 313 174.300 174.300 174.836 -0.536 17838 3589 1 5 . 1 1 44 44 LYS CA C 313 54.680 54.680 54.281 0.399 17838 3590 1 5 . 1 1 44 44 LYS CB C 313 36.140 36.140 36.430 -0.290 17838 3591 1 5 . 1 1 44 44 LYS H H 313 9.050 9.050 8.654 0.396 17838 3592 1 5 . 1 1 45 45 ILE N N 314 123.760 123.760 121.174 2.586 17838 3593 1 5 . 1 1 45 45 ILE HA H 314 4.780 4.780 4.469 0.311 17838 3594 1 5 . 1 1 45 45 ILE C C 314 174.700 174.700 173.962 0.738 17838 3595 1 5 . 1 1 45 45 ILE CA C 314 60.050 60.050 59.842 0.208 17838 3596 1 5 . 1 1 45 45 ILE CB C 314 41.800 41.800 41.663 0.137 17838 3597 1 5 . 1 1 45 45 ILE H H 314 8.770 8.770 8.295 0.475 17838 3598 1 5 . 1 1 46 46 HIS N N 315 122.820 122.820 124.668 -1.848 17838 3599 1 5 . 1 1 46 46 HIS HA H 315 5.340 5.340 5.028 0.312 17838 3600 1 5 . 1 1 46 46 HIS C C 315 173.540 173.540 174.550 -1.010 17838 3601 1 5 . 1 1 46 46 HIS CA C 315 54.590 54.590 54.566 0.024 17838 3602 1 5 . 1 1 46 46 HIS CB C 315 34.280 34.280 31.786 2.494 17838 3603 1 5 . 1 1 46 46 HIS H H 315 9.070 9.070 9.000 0.070 17838 3604 1 5 . 1 1 47 47 LEU N N 316 124.780 124.780 121.467 3.313 17838 3605 1 5 . 1 1 47 47 LEU HA H 316 4.760 4.760 5.022 -0.262 17838 3606 1 5 . 1 1 47 47 LEU C C 316 174.720 174.720 175.169 -0.449 17838 3607 1 5 . 1 1 47 47 LEU CA C 316 53.480 53.480 53.809 -0.329 17838 3608 1 5 . 1 1 47 47 LEU CB C 316 44.010 44.010 43.024 0.986 17838 3609 1 5 . 1 1 47 47 LEU H H 316 8.350 8.350 8.090 0.260 17838 3610 1 5 . 1 1 48 48 MET N N 317 125.550 125.550 120.916 4.634 17838 3611 1 5 . 1 1 48 48 MET HA H 317 5.360 5.360 5.103 0.257 17838 3612 1 5 . 1 1 48 48 MET C C 317 174.720 174.720 174.307 0.413 17838 3613 1 5 . 1 1 48 48 MET CA C 317 53.490 53.490 54.923 -1.433 17838 3614 1 5 . 1 1 48 48 MET CB C 317 35.800 35.800 36.977 -1.177 17838 3615 1 5 . 1 1 48 48 MET H H 317 9.240 9.240 9.132 0.108 17838 3616 1 5 . 1 1 49 49 GLN N N 318 118.130 118.130 121.092 -2.962 17838 3617 1 5 . 1 1 49 49 GLN HA H 318 4.350 4.350 4.711 -0.361 17838 3618 1 5 . 1 1 49 49 GLN C C 318 175.850 175.850 175.014 0.836 17838 3619 1 5 . 1 1 49 49 GLN CA C 318 56.330 56.330 55.025 1.305 17838 3620 1 5 . 1 1 49 49 GLN CB C 318 32.240 32.240 32.224 0.016 17838 3621 1 5 . 1 1 49 49 GLN H H 318 8.510 8.510 8.913 -0.403 17838 3622 1 5 . 1 1 50 50 ASN N N 319 127.590 127.590 126.378 1.212 17838 3623 1 5 . 1 1 50 50 ASN HA H 319 4.250 4.250 4.551 -0.301 17838 3624 1 5 . 1 1 50 50 ASN C C 319 174.650 174.650 175.487 -0.837 17838 3625 1 5 . 1 1 50 50 ASN CA C 319 54.180 54.180 53.495 0.685 17838 3626 1 5 . 1 1 50 50 ASN CB C 319 37.640 37.640 38.189 -0.549 17838 3627 1 5 . 1 1 50 50 ASN H H 319 9.430 9.430 9.200 0.230 17838 3628 1 5 . 1 1 51 51 GLY N N 320 104.030 104.030 102.777 1.253 17838 3629 1 5 . 1 1 51 51 GLY C C 320 173.160 173.160 173.867 -0.707 17838 3630 1 5 . 1 1 51 51 GLY CA C 320 45.480 45.480 45.716 -0.236 17838 3631 1 5 . 1 1 51 51 GLY H H 320 8.950 8.950 8.668 0.282 17838 3632 1 5 . 1 1 52 52 LYS N N 321 120.220 120.220 119.873 0.347 17838 3633 1 5 . 1 1 52 52 LYS HA H 321 4.400 4.400 4.648 -0.248 17838 3634 1 5 . 1 1 52 52 LYS C C 321 175.370 175.370 175.603 -0.233 17838 3635 1 5 . 1 1 52 52 LYS CA C 321 54.340 54.340 54.161 0.179 17838 3636 1 5 . 1 1 52 52 LYS CB C 321 34.230 34.230 35.837 -1.607 17838 3637 1 5 . 1 1 52 52 LYS H H 321 7.650 7.650 7.345 0.305 17838 3638 1 5 . 1 1 53 53 ARG N N 322 123.540 123.540 125.044 -1.504 17838 3639 1 5 . 1 1 53 53 ARG HA H 322 4.410 4.410 4.366 0.044 17838 3640 1 5 . 1 1 53 53 ARG C C 322 175.650 175.650 175.180 0.470 17838 3641 1 5 . 1 1 53 53 ARG CA C 322 56.620 56.620 57.283 -0.663 17838 3642 1 5 . 1 1 53 53 ARG CB C 322 29.960 29.960 30.175 -0.215 17838 3643 1 5 . 1 1 53 53 ARG H H 322 8.700 8.700 8.809 -0.109 17838 3644 1 5 . 1 1 54 54 LEU N N 323 127.220 127.220 125.405 1.815 17838 3645 1 5 . 1 1 54 54 LEU HA H 323 4.350 4.350 4.438 -0.088 17838 3646 1 5 . 1 1 54 54 LEU C C 323 177.380 177.380 176.602 0.778 17838 3647 1 5 . 1 1 54 54 LEU CA C 323 56.230 56.230 55.128 1.102 17838 3648 1 5 . 1 1 54 54 LEU CB C 323 42.950 42.950 43.584 -0.634 17838 3649 1 5 . 1 1 54 54 LEU H H 323 9.270 9.270 8.688 0.582 17838 3650 1 5 . 1 1 55 55 LYS N N 324 115.210 115.210 118.493 -3.283 17838 3651 1 5 . 1 1 55 55 LYS HA H 324 4.670 4.670 4.576 0.094 17838 3652 1 5 . 1 1 55 55 LYS C C 324 174.480 174.480 174.752 -0.272 17838 3653 1 5 . 1 1 55 55 LYS CA C 324 54.460 54.460 54.285 0.175 17838 3654 1 5 . 1 1 55 55 LYS CB C 324 37.580 37.580 34.833 2.747 17838 3655 1 5 . 1 1 55 55 LYS H H 324 7.410 7.410 7.516 -0.106 17838 3656 1 5 . 1 1 56 56 LYS N N 325 122.420 122.420 122.208 0.212 17838 3657 1 5 . 1 1 56 56 LYS HA H 325 5.320 5.320 4.663 0.657 17838 3658 1 5 . 1 1 56 56 LYS C C 325 174.700 174.700 176.096 -1.396 17838 3659 1 5 . 1 1 56 56 LYS CA C 325 54.970 54.970 55.454 -0.484 17838 3660 1 5 . 1 1 56 56 LYS CB C 325 35.730 35.730 33.937 1.793 17838 3661 1 5 . 1 1 56 56 LYS H H 325 8.470 8.470 8.469 0.001 17838 3662 1 5 . 1 1 57 57 LYS N N 326 122.740 122.740 124.354 -1.614 17838 3663 1 5 . 1 1 57 57 LYS HA H 326 4.630 4.630 4.786 -0.156 17838 3664 1 5 . 1 1 57 57 LYS C C 326 174.330 174.330 174.571 -0.241 17838 3665 1 5 . 1 1 57 57 LYS CA C 326 53.560 53.560 54.809 -1.249 17838 3666 1 5 . 1 1 57 57 LYS CB C 326 37.960 37.960 36.269 1.691 17838 3667 1 5 . 1 1 57 57 LYS H H 326 8.850 8.850 8.634 0.216 17838 3668 1 5 . 1 1 58 58 LYS N N 327 118.070 118.070 119.375 -1.305 17838 3669 1 5 . 1 1 58 58 LYS HA H 327 5.380 5.380 4.572 0.808 17838 3670 1 5 . 1 1 58 58 LYS C C 327 174.810 174.810 175.116 -0.306 17838 3671 1 5 . 1 1 58 58 LYS CA C 327 55.120 55.120 55.429 -0.309 17838 3672 1 5 . 1 1 58 58 LYS CB C 327 36.900 36.900 34.937 1.963 17838 3673 1 5 . 1 1 58 58 LYS H H 327 8.310 8.310 8.181 0.129 17838 3674 1 5 . 1 1 59 59 THR N N 328 110.590 110.590 115.459 -4.869 17838 3675 1 5 . 1 1 59 59 THR HA H 328 4.850 4.850 4.754 0.096 17838 3676 1 5 . 1 1 59 59 THR C C 328 175.550 175.550 173.736 1.814 17838 3677 1 5 . 1 1 59 59 THR CA C 328 60.950 60.950 60.103 0.847 17838 3678 1 5 . 1 1 59 59 THR CB C 328 73.290 73.290 71.812 1.478 17838 3679 1 5 . 1 1 59 59 THR H H 328 8.650 8.650 8.162 0.488 17838 3680 1 5 . 1 1 60 60 THR N N 329 109.520 109.520 122.654 -13.134 17838 3681 1 5 . 1 1 60 60 THR HA H 329 4.120 4.120 4.631 -0.511 17838 3682 1 5 . 1 1 60 60 THR C C 329 173.570 173.570 173.209 0.361 17838 3683 1 5 . 1 1 60 60 THR CA C 329 62.710 62.710 62.112 0.598 17838 3684 1 5 . 1 1 60 60 THR CB C 329 70.920 70.920 70.043 0.877 17838 3685 1 5 . 1 1 60 60 THR H H 329 9.420 9.420 9.072 0.348 17838 3686 1 5 . 1 1 61 61 ILE N N 330 119.070 119.070 124.084 -5.014 17838 3687 1 5 . 1 1 61 61 ILE HA H 330 4.230 4.230 4.039 0.191 17838 3688 1 5 . 1 1 61 61 ILE C C 330 177.050 177.050 175.265 1.785 17838 3689 1 5 . 1 1 61 61 ILE CA C 330 61.060 61.060 59.693 1.367 17838 3690 1 5 . 1 1 61 61 ILE CB C 330 40.200 40.200 41.005 -0.805 17838 3691 1 5 . 1 1 61 61 ILE H H 330 8.060 8.060 8.468 -0.408 17838 3692 1 5 . 1 1 62 62 LYS N N 331 127.440 127.440 125.888 1.552 17838 3693 1 5 . 1 1 62 62 LYS HA H 331 4.620 4.620 4.410 0.210 17838 3694 1 5 . 1 1 62 62 LYS C C 331 174.080 174.080 176.796 -2.716 17838 3695 1 5 . 1 1 62 62 LYS CA C 331 52.170 52.170 56.042 -3.872 17838 3696 1 5 . 1 1 62 62 LYS CB C 331 31.610 31.610 32.968 -1.358 17838 3697 1 5 . 1 1 62 62 LYS H H 331 7.970 7.970 8.946 -0.976 17838 3698 1 5 . 1 1 63 63 LYS N N 332 118.220 118.220 123.535 -5.315 17838 3699 1 5 . 1 1 63 63 LYS HA H 332 4.630 4.630 4.214 0.416 17838 3700 1 5 . 1 1 63 63 LYS C C 332 177.270 177.270 176.813 0.457 17838 3701 1 5 . 1 1 63 63 LYS CA C 332 55.310 55.310 56.594 -1.284 17838 3702 1 5 . 1 1 63 63 LYS CB C 332 33.550 33.550 32.847 0.703 17838 3703 1 5 . 1 1 63 63 LYS H H 332 8.000 8.000 8.474 -0.474 17838 3704 1 5 . 1 1 64 64 ASN N N 333 122.920 122.920 118.207 4.713 17838 3705 1 5 . 1 1 64 64 ASN HA H 333 4.250 4.250 4.446 -0.196 17838 3706 1 5 . 1 1 64 64 ASN C C 333 173.470 173.470 173.633 -0.163 17838 3707 1 5 . 1 1 64 64 ASN CA C 333 54.030 54.030 54.602 -0.572 17838 3708 1 5 . 1 1 64 64 ASN CB C 333 37.910 37.910 37.522 0.388 17838 3709 1 5 . 1 1 64 64 ASN H H 333 9.710 9.710 9.239 0.471 17838 3710 1 5 . 1 1 65 65 THR N N 334 112.090 112.090 112.595 -0.505 17838 3711 1 5 . 1 1 65 65 THR HA H 334 4.600 4.600 4.623 -0.023 17838 3712 1 5 . 1 1 65 65 THR C C 334 170.000 170.000 173.841 -3.841 17838 3713 1 5 . 1 1 65 65 THR CA C 334 60.580 60.580 60.653 -0.073 17838 3714 1 5 . 1 1 65 65 THR CB C 334 68.600 68.600 71.537 -2.938 17838 3715 1 5 . 1 1 65 65 THR H H 334 8.630 8.630 7.637 0.993 17838 3716 1 5 . 1 1 66 66 LEU N N 335 121.880 121.880 123.247 -1.367 17838 3717 1 5 . 1 1 66 66 LEU HA H 335 4.500 4.500 4.642 -0.142 17838 3718 1 5 . 1 1 66 66 LEU C C 335 173.970 173.970 176.277 -2.307 17838 3719 1 5 . 1 1 66 66 LEU CA C 335 52.790 52.790 55.938 -3.148 17838 3720 1 5 . 1 1 66 66 LEU CB C 335 40.560 40.560 42.843 -2.283 17838 3721 1 5 . 1 1 66 66 LEU H H 335 8.530 8.530 8.527 0.003 17838 3722 1 5 . 1 1 67 67 ASN N N 336 115.420 115.420 116.646 -1.226 17838 3723 1 5 . 1 1 67 67 ASN HA H 336 5.500 5.500 5.470 0.030 17838 3724 1 5 . 1 1 67 67 ASN CA C 336 51.190 51.190 50.343 0.847 17838 3725 1 5 . 1 1 67 67 ASN CB C 336 41.620 41.620 40.037 1.583 17838 3726 1 5 . 1 1 67 67 ASN H H 336 8.540 8.540 7.948 0.592 17838 3727 1 5 . 1 1 68 68 PRO HA H 337 4.170 4.170 4.399 -0.229 17838 3728 1 5 . 1 1 68 68 PRO C C 337 173.480 173.480 175.325 -1.845 17838 3729 1 5 . 1 1 68 68 PRO CA C 337 62.710 62.710 63.519 -0.809 17838 3730 1 5 . 1 1 68 68 PRO CB C 337 32.610 32.610 30.958 1.652 17838 3731 1 5 . 1 1 69 69 TYR N N 338 120.550 120.550 125.988 -5.438 17838 3732 1 5 . 1 1 69 69 TYR HA H 338 4.470 4.470 4.904 -0.434 17838 3733 1 5 . 1 1 69 69 TYR C C 338 174.390 174.390 173.647 0.743 17838 3734 1 5 . 1 1 69 69 TYR CA C 338 57.740 57.740 56.775 0.965 17838 3735 1 5 . 1 1 69 69 TYR CB C 338 40.530 40.530 42.084 -1.554 17838 3736 1 5 . 1 1 69 69 TYR H H 338 8.060 8.060 8.086 -0.026 17838 3737 1 5 . 1 1 70 70 TYR N N 339 122.140 122.140 127.007 -4.867 17838 3738 1 5 . 1 1 70 70 TYR HA H 339 4.400 4.400 4.111 0.289 17838 3739 1 5 . 1 1 70 70 TYR C C 339 175.190 175.190 173.854 1.336 17838 3740 1 5 . 1 1 70 70 TYR CA C 339 59.040 59.040 58.753 0.287 17838 3741 1 5 . 1 1 70 70 TYR CB C 339 40.290 40.290 41.522 -1.232 17838 3742 1 5 . 1 1 70 70 TYR H H 339 8.080 8.080 7.570 0.510 17838 3743 1 5 . 1 1 71 71 ASN N N 340 120.260 120.260 119.471 0.789 17838 3744 1 5 . 1 1 71 71 ASN HA H 340 4.080 4.080 4.683 -0.603 17838 3745 1 5 . 1 1 71 71 ASN C C 340 173.510 173.510 174.245 -0.735 17838 3746 1 5 . 1 1 71 71 ASN CA C 340 53.960 53.960 54.080 -0.120 17838 3747 1 5 . 1 1 71 71 ASN CB C 340 37.450 37.450 37.258 0.192 17838 3748 1 5 . 1 1 71 71 ASN H H 340 8.130 8.130 8.039 0.091 17838 3749 1 5 . 1 1 72 72 GLU N N 341 117.370 117.370 121.333 -3.963 17838 3750 1 5 . 1 1 72 72 GLU HA H 341 4.300 4.300 4.703 -0.403 17838 3751 1 5 . 1 1 72 72 GLU C C 341 173.000 173.000 174.987 -1.987 17838 3752 1 5 . 1 1 72 72 GLU CA C 341 55.470 55.470 55.026 0.444 17838 3753 1 5 . 1 1 72 72 GLU CB C 341 33.320 33.320 33.389 -0.069 17838 3754 1 5 . 1 1 72 72 GLU H H 341 7.530 7.530 8.065 -0.535 17838 3755 1 5 . 1 1 73 73 SER N N 342 117.330 117.330 116.859 0.471 17838 3756 1 5 . 1 1 73 73 SER HA H 342 4.740 4.740 4.909 -0.169 17838 3757 1 5 . 1 1 73 73 SER C C 342 172.930 172.930 173.605 -0.675 17838 3758 1 5 . 1 1 73 73 SER CA C 342 56.810 56.810 57.439 -0.629 17838 3759 1 5 . 1 1 73 73 SER CB C 342 64.720 64.720 63.325 1.395 17838 3760 1 5 . 1 1 73 73 SER H H 342 8.010 8.010 8.532 -0.522 17838 3761 1 5 . 1 1 74 74 PHE N N 343 123.520 123.520 126.835 -3.315 17838 3762 1 5 . 1 1 74 74 PHE HA H 343 4.480 4.480 4.630 -0.150 17838 3763 1 5 . 1 1 74 74 PHE C C 343 173.480 173.480 175.077 -1.597 17838 3764 1 5 . 1 1 74 74 PHE CA C 343 57.280 57.280 57.789 -0.509 17838 3765 1 5 . 1 1 74 74 PHE CB C 343 43.130 43.130 39.711 3.419 17838 3766 1 5 . 1 1 74 74 PHE H H 343 8.780 8.780 8.958 -0.178 17838 3767 1 5 . 1 1 75 75 SER N N 344 116.700 116.700 120.630 -3.930 17838 3768 1 5 . 1 1 75 75 SER HA H 344 5.480 5.480 5.337 0.143 17838 3769 1 5 . 1 1 75 75 SER C C 344 172.170 172.170 173.213 -1.043 17838 3770 1 5 . 1 1 75 75 SER CA C 344 57.210 57.210 57.904 -0.694 17838 3771 1 5 . 1 1 75 75 SER CB C 344 66.140 66.140 64.546 1.594 17838 3772 1 5 . 1 1 75 75 SER H H 344 8.430 8.430 8.936 -0.506 17838 3773 1 5 . 1 1 76 76 PHE N N 345 119.990 119.990 125.470 -5.480 17838 3774 1 5 . 1 1 76 76 PHE HA H 345 4.800 4.800 4.816 -0.016 17838 3775 1 5 . 1 1 76 76 PHE C C 345 173.440 173.440 173.172 0.268 17838 3776 1 5 . 1 1 76 76 PHE CA C 345 56.080 56.080 55.859 0.221 17838 3777 1 5 . 1 1 76 76 PHE CB C 345 43.520 43.520 41.673 1.847 17838 3778 1 5 . 1 1 76 76 PHE H H 345 9.440 9.440 8.837 0.603 17838 3779 1 5 . 1 1 77 77 GLU N N 346 124.120 124.120 128.381 -4.261 17838 3780 1 5 . 1 1 77 77 GLU HA H 346 4.890 4.890 4.261 0.629 17838 3781 1 5 . 1 1 77 77 GLU C C 346 175.510 175.510 174.566 0.944 17838 3782 1 5 . 1 1 77 77 GLU CA C 346 55.880 55.880 55.556 0.324 17838 3783 1 5 . 1 1 77 77 GLU CB C 346 29.220 29.220 28.513 0.707 17838 3784 1 5 . 1 1 77 77 GLU H H 346 9.000 9.000 8.690 0.310 17838 3785 1 5 . 1 1 78 78 VAL N N 347 125.140 125.140 118.322 6.818 17838 3786 1 5 . 1 1 78 78 VAL HA H 347 4.390 4.390 4.431 -0.041 17838 3787 1 5 . 1 1 78 78 VAL CA C 347 59.350 59.350 58.173 1.177 17838 3788 1 5 . 1 1 78 78 VAL CB C 347 35.710 35.710 33.559 2.151 17838 3789 1 5 . 1 1 78 78 VAL H H 347 8.470 8.470 7.470 1.000 17838 3790 1 5 . 1 1 79 79 PRO HA H 348 4.550 4.550 4.495 0.055 17838 3791 1 5 . 1 1 79 79 PRO C C 348 177.330 177.330 178.053 -0.723 17838 3792 1 5 . 1 1 79 79 PRO CA C 348 62.850 62.850 63.320 -0.470 17838 3793 1 5 . 1 1 79 79 PRO CB C 348 32.870 32.870 31.693 1.177 17838 3794 1 5 . 1 1 80 80 PHE N N 349 125.590 125.590 120.545 5.045 17838 3795 1 5 . 1 1 80 80 PHE HA H 349 4.610 4.610 3.954 0.656 17838 3796 1 5 . 1 1 80 80 PHE C C 349 177.630 177.630 176.819 0.811 17838 3797 1 5 . 1 1 80 80 PHE CA C 349 61.050 61.050 60.602 0.448 17838 3798 1 5 . 1 1 80 80 PHE CB C 349 38.960 38.960 37.673 1.287 17838 3799 1 5 . 1 1 80 80 PHE H H 349 9.250 9.250 8.340 0.910 17838 3800 1 5 . 1 1 81 81 GLU N N 350 116.260 116.260 118.945 -2.685 17838 3801 1 5 . 1 1 81 81 GLU HA H 350 3.870 3.870 4.006 -0.136 17838 3802 1 5 . 1 1 81 81 GLU C C 350 176.960 176.960 178.072 -1.112 17838 3803 1 5 . 1 1 81 81 GLU CA C 350 58.870 58.870 58.066 0.804 17838 3804 1 5 . 1 1 81 81 GLU CB C 350 28.590 28.590 28.061 0.530 17838 3805 1 5 . 1 1 81 81 GLU H H 350 9.120 9.120 7.957 1.163 17838 3806 1 5 . 1 1 82 82 GLN N N 351 116.390 116.390 118.610 -2.220 17838 3807 1 5 . 1 1 82 82 GLN HA H 351 4.300 4.300 4.260 0.040 17838 3808 1 5 . 1 1 82 82 GLN C C 351 177.670 177.670 177.482 0.188 17838 3809 1 5 . 1 1 82 82 GLN CA C 351 55.020 55.020 55.816 -0.796 17838 3810 1 5 . 1 1 82 82 GLN CB C 351 30.360 30.360 28.840 1.520 17838 3811 1 5 . 1 1 82 82 GLN H H 351 8.080 8.080 7.732 0.348 17838 3812 1 5 . 1 1 83 83 ILE N N 352 120.350 120.350 120.875 -0.525 17838 3813 1 5 . 1 1 83 83 ILE HA H 352 3.900 3.900 3.966 -0.066 17838 3814 1 5 . 1 1 83 83 ILE C C 352 174.820 174.820 175.569 -0.749 17838 3815 1 5 . 1 1 83 83 ILE CA C 352 60.850 60.850 63.312 -2.462 17838 3816 1 5 . 1 1 83 83 ILE CB C 352 38.610 38.610 38.634 -0.024 17838 3817 1 5 . 1 1 83 83 ILE H H 352 7.110 7.110 7.348 -0.238 17838 3818 1 5 . 1 1 84 84 GLN N N 353 116.230 116.230 115.309 0.921 17838 3819 1 5 . 1 1 84 84 GLN HA H 353 4.290 4.290 4.573 -0.283 17838 3820 1 5 . 1 1 84 84 GLN C C 353 176.520 176.520 175.235 1.285 17838 3821 1 5 . 1 1 84 84 GLN CA C 353 57.040 57.040 54.959 2.081 17838 3822 1 5 . 1 1 84 84 GLN CB C 353 27.700 27.700 28.189 -0.489 17838 3823 1 5 . 1 1 84 84 GLN H H 353 8.110 8.110 7.738 0.372 17838 3824 1 5 . 1 1 85 85 LYS N N 354 114.900 114.900 116.375 -1.475 17838 3825 1 5 . 1 1 85 85 LYS HA H 354 4.010 4.010 4.347 -0.337 17838 3826 1 5 . 1 1 85 85 LYS C C 354 175.920 175.920 175.257 0.663 17838 3827 1 5 . 1 1 85 85 LYS CA C 354 55.090 55.090 55.686 -0.596 17838 3828 1 5 . 1 1 85 85 LYS CB C 354 33.610 33.610 33.063 0.547 17838 3829 1 5 . 1 1 85 85 LYS H H 354 7.750 7.750 7.649 0.101 17838 3830 1 5 . 1 1 86 86 VAL N N 355 112.960 112.960 113.503 -0.543 17838 3831 1 5 . 1 1 86 86 VAL HA H 355 4.810 4.810 4.716 0.094 17838 3832 1 5 . 1 1 86 86 VAL C C 355 174.780 174.780 173.495 1.285 17838 3833 1 5 . 1 1 86 86 VAL CA C 355 60.450 60.450 59.711 0.739 17838 3834 1 5 . 1 1 86 86 VAL CB C 355 34.320 34.320 35.664 -1.344 17838 3835 1 5 . 1 1 86 86 VAL H H 355 6.900 6.900 7.354 -0.454 17838 3836 1 5 . 1 1 87 87 GLN N N 356 118.230 118.230 121.980 -3.750 17838 3837 1 5 . 1 1 87 87 GLN HA H 356 4.370 4.370 4.801 -0.431 17838 3838 1 5 . 1 1 87 87 GLN C C 356 174.390 174.390 173.792 0.598 17838 3839 1 5 . 1 1 87 87 GLN CA C 356 54.410 54.410 54.789 -0.379 17838 3840 1 5 . 1 1 87 87 GLN CB C 356 30.820 30.820 31.999 -1.179 17838 3841 1 5 . 1 1 87 87 GLN H H 356 8.560 8.560 8.246 0.314 17838 3842 1 5 . 1 1 88 88 VAL N N 357 122.080 122.080 127.198 -5.118 17838 3843 1 5 . 1 1 88 88 VAL HA H 357 4.580 4.580 4.640 -0.060 17838 3844 1 5 . 1 1 88 88 VAL C C 357 173.860 173.860 173.516 0.344 17838 3845 1 5 . 1 1 88 88 VAL CA C 357 61.190 61.190 60.375 0.815 17838 3846 1 5 . 1 1 88 88 VAL CB C 357 31.950 31.950 34.273 -2.323 17838 3847 1 5 . 1 1 88 88 VAL H H 357 8.300 8.300 9.031 -0.731 17838 3848 1 5 . 1 1 89 89 VAL N N 358 127.800 127.800 127.042 0.758 17838 3849 1 5 . 1 1 89 89 VAL HA H 358 4.270 4.270 5.048 -0.778 17838 3850 1 5 . 1 1 89 89 VAL C C 358 174.840 174.840 174.203 0.637 17838 3851 1 5 . 1 1 89 89 VAL CA C 358 61.240 61.240 59.294 1.946 17838 3852 1 5 . 1 1 89 89 VAL CB C 358 33.020 33.020 35.580 -2.560 17838 3853 1 5 . 1 1 89 89 VAL H H 358 9.010 9.010 9.046 -0.036 17838 3854 1 5 . 1 1 90 90 VAL N N 359 129.800 129.800 129.563 0.237 17838 3855 1 5 . 1 1 90 90 VAL HA H 359 4.490 4.490 4.286 0.204 17838 3856 1 5 . 1 1 90 90 VAL C C 359 173.580 173.580 175.317 -1.737 17838 3857 1 5 . 1 1 90 90 VAL CA C 359 61.480 61.480 61.156 0.324 17838 3858 1 5 . 1 1 90 90 VAL CB C 359 33.530 33.530 30.837 2.693 17838 3859 1 5 . 1 1 90 90 VAL H H 359 9.120 9.120 9.022 0.098 17838 3860 1 5 . 1 1 91 91 THR N N 360 122.290 122.290 122.161 0.129 17838 3861 1 5 . 1 1 91 91 THR HA H 360 4.770 4.770 4.476 0.294 17838 3862 1 5 . 1 1 91 91 THR C C 360 173.010 173.010 173.860 -0.850 17838 3863 1 5 . 1 1 91 91 THR CA C 360 61.360 61.360 61.250 0.110 17838 3864 1 5 . 1 1 91 91 THR CB C 360 70.860 70.860 68.987 1.873 17838 3865 1 5 . 1 1 91 91 THR H H 360 8.750 8.750 9.002 -0.252 17838 3866 1 5 . 1 1 92 92 VAL N N 361 125.180 125.180 127.048 -1.868 17838 3867 1 5 . 1 1 92 92 VAL HA H 361 4.670 4.670 4.135 0.535 17838 3868 1 5 . 1 1 92 92 VAL C C 361 174.220 174.220 174.076 0.144 17838 3869 1 5 . 1 1 92 92 VAL CA C 361 61.000 61.000 62.120 -1.120 17838 3870 1 5 . 1 1 92 92 VAL CB C 361 31.960 31.960 32.540 -0.580 17838 3871 1 5 . 1 1 92 92 VAL H H 361 8.580 8.580 8.380 0.200 17838 3872 1 5 . 1 1 93 93 LEU N N 362 127.950 127.950 127.349 0.601 17838 3873 1 5 . 1 1 93 93 LEU HA H 362 4.750 4.750 5.049 -0.299 17838 3874 1 5 . 1 1 93 93 LEU C C 362 173.470 173.470 174.343 -0.873 17838 3875 1 5 . 1 1 93 93 LEU CA C 362 55.470 55.470 52.908 2.562 17838 3876 1 5 . 1 1 93 93 LEU CB C 362 44.440 44.440 46.653 -2.213 17838 3877 1 5 . 1 1 93 93 LEU H H 362 8.860 8.860 8.950 -0.090 17838 3878 1 5 . 1 1 94 94 ASP N N 363 116.580 116.580 117.485 -0.905 17838 3879 1 5 . 1 1 94 94 ASP HA H 363 4.810 4.810 5.219 -0.409 17838 3880 1 5 . 1 1 94 94 ASP C C 363 175.870 175.870 174.225 1.645 17838 3881 1 5 . 1 1 94 94 ASP CA C 363 52.020 52.020 52.643 -0.623 17838 3882 1 5 . 1 1 94 94 ASP CB C 363 44.160 44.160 44.530 -0.370 17838 3883 1 5 . 1 1 94 94 ASP H H 363 8.380 8.380 8.022 0.358 17838 3884 1 5 . 1 1 95 95 TYR N N 364 127.590 127.590 120.690 6.900 17838 3885 1 5 . 1 1 95 95 TYR HA H 364 4.310 4.310 4.695 -0.385 17838 3886 1 5 . 1 1 95 95 TYR C C 364 175.260 175.260 174.652 0.608 17838 3887 1 5 . 1 1 95 95 TYR CA C 364 59.750 59.750 55.810 3.940 17838 3888 1 5 . 1 1 95 95 TYR CB C 364 39.300 39.300 38.517 0.783 17838 3889 1 5 . 1 1 95 95 TYR H H 364 9.380 9.380 8.175 1.205 17838 3890 1 5 . 1 1 96 96 ASP N N 365 131.500 131.500 122.280 9.220 17838 3891 1 5 . 1 1 96 96 ASP HA H 365 4.590 4.590 4.420 0.170 17838 3892 1 5 . 1 1 96 96 ASP C C 365 172.480 172.480 175.845 -3.365 17838 3893 1 5 . 1 1 96 96 ASP CA C 365 52.630 52.630 55.592 -2.962 17838 3894 1 5 . 1 1 96 96 ASP CB C 365 41.910 41.910 41.209 0.701 17838 3895 1 5 . 1 1 96 96 ASP H H 365 7.800 7.800 8.384 -0.584 17838 3896 1 5 . 1 1 97 97 LYS N N 366 120.720 120.720 124.547 -3.827 17838 3897 1 5 . 1 1 97 97 LYS HA H 366 3.840 3.840 3.983 -0.143 17838 3898 1 5 . 1 1 97 97 LYS C C 366 176.440 176.440 175.947 0.493 17838 3899 1 5 . 1 1 97 97 LYS CA C 366 58.400 58.400 57.345 1.055 17838 3900 1 5 . 1 1 97 97 LYS CB C 366 33.030 33.030 30.876 2.154 17838 3901 1 5 . 1 1 97 97 LYS H H 366 8.030 8.030 8.900 -0.870 17838 3902 1 5 . 1 1 98 98 ILE N N 367 117.460 117.460 113.672 3.788 17838 3903 1 5 . 1 1 98 98 ILE HA H 367 4.080 4.080 3.757 0.323 17838 3904 1 5 . 1 1 98 98 ILE C C 367 176.200 176.200 175.961 0.239 17838 3905 1 5 . 1 1 98 98 ILE CA C 367 60.910 60.910 62.423 -1.513 17838 3906 1 5 . 1 1 98 98 ILE CB C 367 38.440 38.440 35.753 2.687 17838 3907 1 5 . 1 1 98 98 ILE H H 367 7.790 7.790 8.448 -0.658 17838 3908 1 5 . 1 1 99 99 GLY N N 368 113.730 113.730 108.783 4.947 17838 3909 1 5 . 1 1 99 99 GLY C C 368 173.460 173.460 173.165 0.295 17838 3910 1 5 . 1 1 99 99 GLY CA C 368 44.190 44.190 45.407 -1.217 17838 3911 1 5 . 1 1 99 99 GLY H H 368 8.160 8.160 7.570 0.590 17838 3912 1 5 . 1 1 100 100 LYS N N 369 119.980 119.980 121.590 -1.610 17838 3913 1 5 . 1 1 100 100 LYS HA H 369 4.260 4.260 4.663 -0.403 17838 3914 1 5 . 1 1 100 100 LYS C C 369 175.270 175.270 174.544 0.726 17838 3915 1 5 . 1 1 100 100 LYS CA C 369 56.030 56.030 56.121 -0.091 17838 3916 1 5 . 1 1 100 100 LYS CB C 369 33.090 33.090 34.847 -1.757 17838 3917 1 5 . 1 1 100 100 LYS H H 369 8.020 8.020 8.103 -0.083 17838 3918 1 5 . 1 1 101 101 ASN N N 370 124.530 124.530 123.468 1.062 17838 3919 1 5 . 1 1 101 101 ASN HA H 370 5.040 5.040 4.950 0.090 17838 3920 1 5 . 1 1 101 101 ASN CA C 370 52.230 52.230 51.795 0.435 17838 3921 1 5 . 1 1 101 101 ASN CB C 370 38.490 38.490 41.778 -3.288 17838 3922 1 5 . 1 1 101 101 ASN H H 370 8.730 8.730 8.778 -0.048 17838 3923 1 5 . 1 1 102 102 ASP N N 371 123.520 123.520 119.342 4.178 17838 3924 1 5 . 1 1 102 102 ASP HA H 371 4.590 4.590 4.658 -0.068 17838 3925 1 5 . 1 1 102 102 ASP CA C 371 53.980 53.980 53.280 0.700 17838 3926 1 5 . 1 1 102 102 ASP CB C 371 42.940 42.940 43.703 -0.763 17838 3927 1 5 . 1 1 102 102 ASP H H 371 8.550 8.550 8.309 0.241 17838 3928 1 5 . 1 1 103 103 ALA N N 372 124.120 124.120 119.900 4.220 17838 3929 1 5 . 1 1 103 103 ALA HA H 372 4.210 4.210 4.226 -0.016 17838 3930 1 5 . 1 1 103 103 ALA C C 372 177.140 177.140 177.186 -0.046 17838 3931 1 5 . 1 1 103 103 ALA CA C 372 52.910 52.910 53.071 -0.161 17838 3932 1 5 . 1 1 103 103 ALA CB C 372 17.740 17.740 17.502 0.239 17838 3933 1 5 . 1 1 103 103 ALA H H 372 8.870 8.870 8.550 0.320 17838 3934 1 5 . 1 1 104 104 ILE N N 373 123.110 123.110 117.180 5.930 17838 3935 1 5 . 1 1 104 104 ILE HA H 373 3.850 3.850 4.155 -0.305 17838 3936 1 5 . 1 1 104 104 ILE C C 373 176.450 176.450 176.643 -0.193 17838 3937 1 5 . 1 1 104 104 ILE CA C 373 64.670 64.670 60.978 3.692 17838 3938 1 5 . 1 1 104 104 ILE CB C 373 38.900 38.900 38.944 -0.044 17838 3939 1 5 . 1 1 104 104 ILE H H 373 9.490 9.490 8.123 1.367 17838 3940 1 5 . 1 1 105 105 GLY N N 374 99.210 99.210 105.190 -5.980 17838 3941 1 5 . 1 1 105 105 GLY C C 374 170.160 170.160 171.557 -1.397 17838 3942 1 5 . 1 1 105 105 GLY CA C 374 46.130 46.130 45.346 0.784 17838 3943 1 5 . 1 1 105 105 GLY H H 374 7.310 7.310 7.474 -0.164 17838 3944 1 5 . 1 1 106 106 LYS N N 375 119.580 119.580 119.472 0.108 17838 3945 1 5 . 1 1 106 106 LYS HA H 375 5.520 5.520 5.377 0.143 17838 3946 1 5 . 1 1 106 106 LYS C C 375 173.600 173.600 174.384 -0.784 17838 3947 1 5 . 1 1 106 106 LYS CA C 375 55.130 55.130 56.082 -0.952 17838 3948 1 5 . 1 1 106 106 LYS CB C 375 39.040 39.040 37.487 1.553 17838 3949 1 5 . 1 1 106 106 LYS H H 375 9.600 9.600 8.413 1.187 17838 3950 1 5 . 1 1 107 107 VAL N N 376 116.620 116.620 121.647 -5.027 17838 3951 1 5 . 1 1 107 107 VAL HA H 376 4.670 4.670 3.998 0.672 17838 3952 1 5 . 1 1 107 107 VAL C C 376 172.040 172.040 173.058 -1.018 17838 3953 1 5 . 1 1 107 107 VAL CA C 376 60.670 60.670 59.316 1.354 17838 3954 1 5 . 1 1 107 107 VAL CB C 376 35.220 35.220 35.724 -0.504 17838 3955 1 5 . 1 1 107 107 VAL H H 376 8.910 8.910 7.953 0.957 17838 3956 1 5 . 1 1 108 108 PHE N N 377 120.920 120.920 123.564 -2.644 17838 3957 1 5 . 1 1 108 108 PHE HA H 377 5.690 5.690 5.358 0.332 17838 3958 1 5 . 1 1 108 108 PHE CA C 377 55.460 55.460 54.674 0.786 17838 3959 1 5 . 1 1 108 108 PHE CB C 377 44.420 44.420 39.980 4.440 17838 3960 1 5 . 1 1 108 108 PHE H H 377 8.560 8.560 7.428 1.132 17838 3961 1 5 . 1 1 109 109 VAL N N 378 108.500 108.500 115.824 -7.324 17838 3962 1 5 . 1 1 109 109 VAL HA H 378 4.150 4.150 4.599 -0.449 17838 3963 1 5 . 1 1 109 109 VAL CA C 378 58.140 58.140 59.637 -1.497 17838 3964 1 5 . 1 1 109 109 VAL CB C 378 33.750 33.750 34.329 -0.579 17838 3965 1 5 . 1 1 109 109 VAL H H 378 8.320 8.320 8.755 -0.435 17838 3966 1 5 . 1 1 110 110 GLY CA C 379 41.340 41.340 44.615 -3.275 17838 3967 1 5 . 1 1 111 111 TYR HA H 380 4.010 4.010 4.248 -0.238 17838 3968 1 5 . 1 1 111 111 TYR CA C 380 59.880 59.880 60.819 -0.939 17838 3969 1 5 . 1 1 111 111 TYR CB C 380 37.860 37.860 39.286 -1.426 17838 3970 1 5 . 1 1 112 112 ASN HA H 381 4.250 4.250 4.408 -0.158 17838 3971 1 5 . 1 1 112 112 ASN CA C 381 54.170 54.170 52.029 2.141 17838 3972 1 5 . 1 1 112 112 ASN CB C 381 37.810 37.810 36.611 1.199 17838 3973 1 5 . 1 1 113 113 SER HA H 382 4.140 4.140 4.631 -0.491 17838 3974 1 5 . 1 1 113 113 SER C C 382 172.760 172.760 174.029 -1.269 17838 3975 1 5 . 1 1 113 113 SER CA C 382 58.610 58.610 56.844 1.766 17838 3976 1 5 . 1 1 113 113 SER CB C 382 64.620 64.620 65.222 -0.601 17838 3977 1 5 . 1 1 114 114 THR N N 383 106.230 106.230 117.685 -11.455 17838 3978 1 5 . 1 1 114 114 THR HA H 383 4.730 4.730 4.441 0.289 17838 3979 1 5 . 1 1 114 114 THR C C 383 176.030 176.030 175.716 0.314 17838 3980 1 5 . 1 1 114 114 THR CA C 383 60.120 60.120 62.536 -2.416 17838 3981 1 5 . 1 1 114 114 THR CB C 383 72.950 72.950 69.636 3.314 17838 3982 1 5 . 1 1 114 114 THR H H 383 7.710 7.710 8.468 -0.758 17838 3983 1 5 . 1 1 115 115 GLY N N 384 108.400 108.400 107.213 1.187 17838 3984 1 5 . 1 1 115 115 GLY C C 384 175.920 175.920 173.369 2.551 17838 3985 1 5 . 1 1 115 115 GLY CA C 384 47.150 47.150 45.565 1.585 17838 3986 1 5 . 1 1 115 115 GLY H H 384 8.840 8.840 8.793 0.047 17838 3987 1 5 . 1 1 116 116 ALA N N 385 129.610 129.610 121.852 7.758 17838 3988 1 5 . 1 1 116 116 ALA HA H 385 4.110 4.110 4.367 -0.257 17838 3989 1 5 . 1 1 116 116 ALA C C 385 179.670 179.670 178.525 1.145 17838 3990 1 5 . 1 1 116 116 ALA CA C 385 54.310 54.310 53.138 1.172 17838 3991 1 5 . 1 1 116 116 ALA CB C 385 18.100 18.100 20.065 -1.965 17838 3992 1 5 . 1 1 116 116 ALA H H 385 9.310 9.310 7.419 1.891 17838 3993 1 5 . 1 1 117 117 GLU N N 386 121.720 121.720 120.578 1.142 17838 3994 1 5 . 1 1 117 117 GLU HA H 386 4.110 4.110 4.135 -0.025 17838 3995 1 5 . 1 1 117 117 GLU C C 386 175.960 175.960 178.881 -2.921 17838 3996 1 5 . 1 1 117 117 GLU CA C 386 62.450 62.450 59.773 2.677 17838 3997 1 5 . 1 1 117 117 GLU CB C 386 29.830 29.830 29.267 0.563 17838 3998 1 5 . 1 1 117 117 GLU H H 386 8.140 8.140 8.332 -0.192 17838 3999 1 5 . 1 1 118 118 LEU N N 387 122.820 122.820 120.842 1.978 17838 4000 1 5 . 1 1 118 118 LEU HA H 387 4.140 4.140 4.255 -0.115 17838 4001 1 5 . 1 1 118 118 LEU C C 387 179.580 179.580 178.548 1.032 17838 4002 1 5 . 1 1 118 118 LEU CA C 387 56.900 56.900 57.624 -0.724 17838 4003 1 5 . 1 1 118 118 LEU CB C 387 40.270 40.270 41.807 -1.537 17838 4004 1 5 . 1 1 118 118 LEU H H 387 6.570 6.570 7.817 -1.247 17838 4005 1 5 . 1 1 119 119 ARG N N 388 119.950 119.950 118.353 1.597 17838 4006 1 5 . 1 1 119 119 ARG HA H 388 4.090 4.090 4.108 -0.018 17838 4007 1 5 . 1 1 119 119 ARG C C 388 177.240 177.240 177.721 -0.481 17838 4008 1 5 . 1 1 119 119 ARG CA C 388 59.220 59.220 58.631 0.589 17838 4009 1 5 . 1 1 119 119 ARG CB C 388 29.990 29.990 29.807 0.183 17838 4010 1 5 . 1 1 119 119 ARG H H 388 8.120 8.120 8.035 0.085 17838 4011 1 5 . 1 1 120 120 HIS N N 389 118.040 118.040 118.157 -0.117 17838 4012 1 5 . 1 1 120 120 HIS HA H 389 4.560 4.560 5.105 -0.545 17838 4013 1 5 . 1 1 120 120 HIS CA C 389 57.520 57.520 56.502 1.018 17838 4014 1 5 . 1 1 120 120 HIS CB C 389 32.980 32.980 30.955 2.025 17838 4015 1 5 . 1 1 120 120 HIS H H 389 7.510 7.510 7.867 -0.357 17838 4016 1 5 . 1 1 121 121 TRP N N 390 118.700 118.700 122.402 -3.702 17838 4017 1 5 . 1 1 121 121 TRP HA H 390 4.010 4.010 4.444 -0.434 17838 4018 1 5 . 1 1 121 121 TRP C C 390 176.900 176.900 178.173 -1.273 17838 4019 1 5 . 1 1 121 121 TRP CA C 390 60.240 60.240 61.225 -0.985 17838 4020 1 5 . 1 1 121 121 TRP CB C 390 30.800 30.800 29.857 0.943 17838 4021 1 5 . 1 1 121 121 TRP H H 390 7.650 7.650 8.583 -0.933 17838 4022 1 5 . 1 1 122 122 SER N N 391 113.110 113.110 113.923 -0.813 17838 4023 1 5 . 1 1 122 122 SER HA H 391 4.010 4.010 4.424 -0.414 17838 4024 1 5 . 1 1 122 122 SER C C 391 177.460 177.460 173.578 3.882 17838 4025 1 5 . 1 1 122 122 SER CA C 391 61.970 61.970 59.821 2.149 17838 4026 1 5 . 1 1 122 122 SER CB C 391 62.490 62.490 62.574 -0.084 17838 4027 1 5 . 1 1 122 122 SER H H 391 9.060 9.060 8.213 0.847 17838 4028 1 5 . 1 1 123 123 ASP N N 392 123.980 123.980 119.283 4.697 17838 4029 1 5 . 1 1 123 123 ASP HA H 392 4.380 4.380 4.671 -0.291 17838 4030 1 5 . 1 1 123 123 ASP C C 392 178.830 178.830 175.876 2.954 17838 4031 1 5 . 1 1 123 123 ASP CA C 392 57.570 57.570 55.331 2.239 17838 4032 1 5 . 1 1 123 123 ASP CB C 392 40.040 40.040 42.146 -2.106 17838 4033 1 5 . 1 1 123 123 ASP H H 392 8.870 8.870 8.343 0.527 17838 4034 1 5 . 1 1 124 124 MET N N 393 121.910 121.910 119.625 2.285 17838 4035 1 5 . 1 1 124 124 MET HA H 393 3.970 3.970 4.597 -0.627 17838 4036 1 5 . 1 1 124 124 MET C C 393 179.000 179.000 176.751 2.249 17838 4037 1 5 . 1 1 124 124 MET CA C 393 59.350 59.350 56.256 3.094 17838 4038 1 5 . 1 1 124 124 MET CB C 393 32.590 32.590 34.473 -1.883 17838 4039 1 5 . 1 1 124 124 MET H H 393 7.960 7.960 8.158 -0.198 17838 4040 1 5 . 1 1 125 125 LEU N N 394 118.500 118.500 115.672 2.828 17838 4041 1 5 . 1 1 125 125 LEU HA H 394 3.890 3.890 4.880 -0.990 17838 4042 1 5 . 1 1 125 125 LEU C C 394 178.170 178.170 176.652 1.518 17838 4043 1 5 . 1 1 125 125 LEU CA C 394 56.880 56.880 54.190 2.690 17838 4044 1 5 . 1 1 125 125 LEU CB C 394 41.730 41.730 40.825 0.905 17838 4045 1 5 . 1 1 125 125 LEU H H 394 7.610 7.610 7.383 0.227 17838 4046 1 5 . 1 1 126 126 ALA N N 395 118.600 118.600 119.839 -1.239 17838 4047 1 5 . 1 1 126 126 ALA HA H 395 4.220 4.220 4.079 0.141 17838 4048 1 5 . 1 1 126 126 ALA C C 395 176.770 176.770 176.500 0.270 17838 4049 1 5 . 1 1 126 126 ALA CA C 395 52.850 52.850 53.291 -0.441 17838 4050 1 5 . 1 1 126 126 ALA CB C 395 19.460 19.460 19.232 0.228 17838 4051 1 5 . 1 1 126 126 ALA H H 395 7.850 7.850 7.942 -0.092 17838 4052 1 5 . 1 1 127 127 ASN N N 396 115.840 115.840 115.652 0.188 17838 4053 1 5 . 1 1 127 127 ASN HA H 396 5.100 5.100 4.720 0.380 17838 4054 1 5 . 1 1 127 127 ASN CA C 396 51.110 51.110 53.046 -1.936 17838 4055 1 5 . 1 1 127 127 ASN CB C 396 40.740 40.740 38.674 2.066 17838 4056 1 5 . 1 1 127 127 ASN H H 396 7.150 7.150 8.036 -0.886 17838 4057 1 5 . 1 1 128 128 PRO HA H 397 4.750 4.750 4.504 0.246 17838 4058 1 5 . 1 1 128 128 PRO C C 397 177.390 177.390 175.913 1.477 17838 4059 1 5 . 1 1 128 128 PRO CA C 397 63.910 63.910 63.108 0.802 17838 4060 1 5 . 1 1 128 128 PRO CB C 397 32.250 32.250 32.448 -0.198 17838 4061 1 5 . 1 1 129 129 ARG N N 398 111.560 111.560 116.324 -4.764 17838 4062 1 5 . 1 1 129 129 ARG HA H 398 3.530 3.530 4.810 -1.280 17838 4063 1 5 . 1 1 129 129 ARG C C 398 174.880 174.880 175.534 -0.654 17838 4064 1 5 . 1 1 129 129 ARG CA C 398 58.750 58.750 54.787 3.963 17838 4065 1 5 . 1 1 129 129 ARG CB C 398 29.040 29.040 30.433 -1.393 17838 4066 1 5 . 1 1 129 129 ARG H H 398 8.300 8.300 8.437 -0.137 17838 4067 1 5 . 1 1 130 130 ARG N N 399 120.840 120.840 122.615 -1.775 17838 4068 1 5 . 1 1 130 130 ARG HA H 399 4.800 4.800 4.646 0.154 17838 4069 1 5 . 1 1 130 130 ARG CA C 399 53.050 53.050 52.468 0.582 17838 4070 1 5 . 1 1 130 130 ARG CB C 399 31.420 31.420 30.349 1.071 17838 4071 1 5 . 1 1 130 130 ARG H H 399 7.980 7.980 8.396 -0.416 17838 4072 1 5 . 1 1 131 131 PRO HA H 400 4.810 4.810 4.663 0.147 17838 4073 1 5 . 1 1 131 131 PRO C C 400 176.610 176.610 175.701 0.909 17838 4074 1 5 . 1 1 131 131 PRO CA C 400 61.490 61.490 62.421 -0.931 17838 4075 1 5 . 1 1 131 131 PRO CB C 400 43.560 43.560 31.511 12.049 17838 4076 1 5 . 1 1 132 132 ILE N N 401 123.900 123.900 125.273 -1.373 17838 4077 1 5 . 1 1 132 132 ILE HA H 401 4.530 4.530 4.205 0.325 17838 4078 1 5 . 1 1 132 132 ILE C C 401 176.480 176.480 175.359 1.121 17838 4079 1 5 . 1 1 132 132 ILE CA C 401 58.360 58.360 58.985 -0.625 17838 4080 1 5 . 1 1 132 132 ILE CB C 401 39.250 39.250 37.325 1.925 17838 4081 1 5 . 1 1 132 132 ILE H H 401 9.000 9.000 7.649 1.351 17838 4082 1 5 . 1 1 133 133 ALA N N 402 137.830 137.830 131.199 6.631 17838 4083 1 5 . 1 1 133 133 ALA HA H 402 4.920 4.920 4.461 0.459 17838 4084 1 5 . 1 1 133 133 ALA C C 402 175.260 175.260 176.482 -1.222 17838 4085 1 5 . 1 1 133 133 ALA CA C 402 51.090 51.090 51.873 -0.783 17838 4086 1 5 . 1 1 133 133 ALA CB C 402 20.360 20.360 19.436 0.924 17838 4087 1 5 . 1 1 133 133 ALA H H 402 9.560 9.560 8.694 0.866 17838 4088 1 5 . 1 1 134 134 GLN N N 403 119.730 119.730 124.981 -5.251 17838 4089 1 5 . 1 1 134 134 GLN HA H 403 4.020 4.020 4.471 -0.451 17838 4090 1 5 . 1 1 134 134 GLN C C 403 173.700 173.700 174.338 -0.638 17838 4091 1 5 . 1 1 134 134 GLN CA C 403 55.050 55.050 54.057 0.993 17838 4092 1 5 . 1 1 134 134 GLN CB C 403 32.660 32.660 32.266 0.394 17838 4093 1 5 . 1 1 134 134 GLN H H 403 7.620 7.620 8.637 -1.017 17838 4094 1 5 . 1 1 135 135 TRP N N 404 123.420 123.420 123.269 0.151 17838 4095 1 5 . 1 1 135 135 TRP HA H 404 4.510 4.510 5.206 -0.696 17838 4096 1 5 . 1 1 135 135 TRP C C 404 176.280 176.280 175.765 0.515 17838 4097 1 5 . 1 1 135 135 TRP CA C 404 57.880 57.880 54.990 2.890 17838 4098 1 5 . 1 1 135 135 TRP CB C 404 30.110 30.110 31.279 -1.169 17838 4099 1 5 . 1 1 135 135 TRP H H 404 8.310 8.310 7.767 0.543 17838 4100 1 5 . 1 1 136 136 HIS N N 405 117.210 117.210 120.057 -2.847 17838 4101 1 5 . 1 1 136 136 HIS HA H 405 4.810 4.810 4.818 -0.008 17838 4102 1 5 . 1 1 136 136 HIS C C 405 173.490 173.490 174.038 -0.548 17838 4103 1 5 . 1 1 136 136 HIS CA C 405 55.160 55.160 56.117 -0.957 17838 4104 1 5 . 1 1 136 136 HIS CB C 405 33.410 33.410 33.248 0.162 17838 4105 1 5 . 1 1 136 136 HIS H H 405 9.470 9.470 8.450 1.020 17838 4106 1 5 . 1 1 137 137 THR N N 406 122.780 122.780 119.863 2.917 17838 4107 1 5 . 1 1 137 137 THR HA H 406 4.840 4.840 4.479 0.361 17838 4108 1 5 . 1 1 137 137 THR C C 406 174.350 174.350 174.196 0.154 17838 4109 1 5 . 1 1 137 137 THR CA C 406 62.650 62.650 63.486 -0.836 17838 4110 1 5 . 1 1 137 137 THR CB C 406 70.330 70.330 69.198 1.132 17838 4111 1 5 . 1 1 137 137 THR H H 406 9.430 9.430 8.095 1.335 17838 4112 1 5 . 1 1 138 138 LEU N N 407 124.890 124.890 124.573 0.317 17838 4113 1 5 . 1 1 138 138 LEU HA H 407 3.910 3.910 4.389 -0.479 17838 4114 1 5 . 1 1 138 138 LEU C C 407 175.480 175.480 176.039 -0.559 17838 4115 1 5 . 1 1 138 138 LEU CA C 407 55.950 55.950 53.778 2.172 17838 4116 1 5 . 1 1 138 138 LEU CB C 407 43.050 43.050 44.420 -1.370 17838 4117 1 5 . 1 1 138 138 LEU H H 407 8.730 8.730 8.443 0.287 17838 4118 1 5 . 1 1 139 139 GLN N N 408 119.630 119.630 118.398 1.232 17838 4119 1 5 . 1 1 139 139 GLN HA H 408 4.680 4.680 4.717 -0.037 17838 4120 1 5 . 1 1 139 139 GLN C C 408 175.100 175.100 175.101 -0.001 17838 4121 1 5 . 1 1 139 139 GLN CA C 408 53.830 53.830 54.051 -0.221 17838 4122 1 5 . 1 1 139 139 GLN CB C 408 32.150 32.150 32.541 -0.391 17838 4123 1 5 . 1 1 139 139 GLN H H 408 8.470 8.470 8.747 -0.277 17838 4124 1 5 . 1 1 140 140 VAL N N 409 119.820 119.820 116.770 3.050 17838 4125 1 5 . 1 1 140 140 VAL HA H 409 3.850 3.850 4.314 -0.464 17838 4126 1 5 . 1 1 140 140 VAL C C 409 178.020 178.020 176.943 1.077 17838 4127 1 5 . 1 1 140 140 VAL CA C 409 63.130 63.130 60.934 2.196 17838 4128 1 5 . 1 1 140 140 VAL CB C 409 32.500 32.500 33.439 -0.939 17838 4129 1 5 . 1 1 140 140 VAL H H 409 8.410 8.410 8.339 0.071 17838 4130 1 5 . 1 1 141 141 GLU N N 410 127.170 127.170 120.435 6.735 17838 4131 1 5 . 1 1 141 141 GLU HA H 410 3.490 3.490 4.043 -0.553 17838 4132 1 5 . 1 1 141 141 GLU C C 410 176.850 176.850 179.052 -2.202 17838 4133 1 5 . 1 1 141 141 GLU CA C 410 60.610 60.610 59.632 0.978 17838 4134 1 5 . 1 1 141 141 GLU CB C 410 29.530 29.530 28.769 0.761 17838 4135 1 5 . 1 1 141 141 GLU H H 410 8.940 8.940 8.988 -0.048 17838 4136 1 5 . 1 1 142 142 GLU N N 411 115.780 115.780 118.725 -2.945 17838 4137 1 5 . 1 1 142 142 GLU HA H 411 3.950 3.950 4.090 -0.140 17838 4138 1 5 . 1 1 142 142 GLU C C 411 179.050 179.050 179.267 -0.217 17838 4139 1 5 . 1 1 142 142 GLU CA C 411 59.920 59.920 59.749 0.171 17838 4140 1 5 . 1 1 142 142 GLU CB C 411 28.940 28.940 28.921 0.019 17838 4141 1 5 . 1 1 142 142 GLU H H 411 9.070 9.070 8.927 0.143 17838 4142 1 5 . 1 1 143 143 GLU N N 412 118.520 118.520 117.975 0.545 17838 4143 1 5 . 1 1 143 143 GLU HA H 412 4.050 4.050 4.235 -0.185 17838 4144 1 5 . 1 1 143 143 GLU C C 412 178.870 178.870 178.200 0.670 17838 4145 1 5 . 1 1 143 143 GLU CA C 412 58.590 58.590 58.816 -0.226 17838 4146 1 5 . 1 1 143 143 GLU CB C 412 29.190 29.190 29.653 -0.463 17838 4147 1 5 . 1 1 143 143 GLU H H 412 7.080 7.080 7.642 -0.562 17838 4148 1 5 . 1 1 144 144 VAL N N 413 121.110 121.110 119.760 1.350 17838 4149 1 5 . 1 1 144 144 VAL HA H 413 3.680 3.680 4.089 -0.409 17838 4150 1 5 . 1 1 144 144 VAL C C 413 177.970 177.970 177.275 0.695 17838 4151 1 5 . 1 1 144 144 VAL CA C 413 66.140 66.140 64.351 1.789 17838 4152 1 5 . 1 1 144 144 VAL CB C 413 31.620 31.620 32.330 -0.710 17838 4153 1 5 . 1 1 144 144 VAL H H 413 7.550 7.550 7.346 0.204 17838 4154 1 5 . 1 1 145 145 ASP N N 414 120.040 120.040 120.833 -0.793 17838 4155 1 5 . 1 1 145 145 ASP HA H 414 4.020 4.020 4.318 -0.298 17838 4156 1 5 . 1 1 145 145 ASP C C 414 178.910 178.910 178.022 0.888 17838 4157 1 5 . 1 1 145 145 ASP CA C 414 57.620 57.620 57.938 -0.318 17838 4158 1 5 . 1 1 145 145 ASP CB C 414 38.690 38.690 40.863 -2.173 17838 4159 1 5 . 1 1 145 145 ASP H H 414 8.660 8.660 8.484 0.176 17838 4160 1 5 . 1 1 146 146 ALA N N 415 121.010 121.010 120.146 0.864 17838 4161 1 5 . 1 1 146 146 ALA HA H 415 4.020 4.020 4.242 -0.222 17838 4162 1 5 . 1 1 146 146 ALA C C 415 179.930 179.930 178.451 1.479 17838 4163 1 5 . 1 1 146 146 ALA CA C 415 54.820 54.820 54.141 0.680 17838 4164 1 5 . 1 1 146 146 ALA CB C 415 17.910 17.910 18.610 -0.700 17838 4165 1 5 . 1 1 146 146 ALA H H 415 7.270 7.270 7.495 -0.225 17838 4166 1 5 . 1 1 147 147 MET N N 416 116.980 116.980 116.429 0.551 17838 4167 1 5 . 1 1 147 147 MET HA H 416 4.150 4.150 4.354 -0.204 17838 4168 1 5 . 1 1 147 147 MET C C 416 177.990 177.990 177.547 0.443 17838 4169 1 5 . 1 1 147 147 MET CA C 416 57.600 57.600 55.857 1.743 17838 4170 1 5 . 1 1 147 147 MET CB C 416 33.140 33.140 33.701 -0.561 17838 4171 1 5 . 1 1 147 147 MET H H 416 7.410 7.410 7.372 0.038 17838 4172 1 5 . 1 1 148 148 LEU N N 417 118.550 118.550 117.800 0.750 17838 4173 1 5 . 1 1 148 148 LEU HA H 417 3.540 3.540 4.746 -1.206 17838 4174 1 5 . 1 1 148 148 LEU C C 417 176.810 176.810 177.463 -0.653 17838 4175 1 5 . 1 1 148 148 LEU CA C 417 55.670 55.670 55.938 -0.268 17838 4176 1 5 . 1 1 148 148 LEU CB C 417 42.650 42.650 40.972 1.678 17838 4177 1 5 . 1 1 148 148 LEU H H 417 7.560 7.560 7.824 -0.264 17838 4178 1 5 . 1 1 149 149 ALA N N 418 119.940 119.940 123.265 -3.325 17838 4179 1 5 . 1 1 149 149 ALA HA H 418 4.010 4.010 4.257 -0.247 17838 4180 1 5 . 1 1 149 149 ALA C C 418 177.010 177.010 177.047 -0.037 17838 4181 1 5 . 1 1 149 149 ALA CA C 418 52.310 52.310 51.657 0.652 17838 4182 1 5 . 1 1 149 149 ALA CB C 418 18.700 18.700 17.338 1.361 17838 4183 1 5 . 1 1 149 149 ALA H H 418 7.080 7.080 7.367 -0.287 17838 4184 1 5 . 1 1 150 150 VAL N N 419 118.810 118.810 120.168 -1.358 17838 4185 1 5 . 1 1 150 150 VAL HA H 419 3.840 3.840 3.736 0.104 17838 4186 1 5 . 1 1 150 150 VAL C C 419 175.760 175.760 175.880 -0.120 17838 4187 1 5 . 1 1 150 150 VAL CA C 419 62.930 62.930 63.479 -0.549 17838 4188 1 5 . 1 1 150 150 VAL CB C 419 32.450 32.450 30.875 1.575 17838 4189 1 5 . 1 1 150 150 VAL H H 419 7.560 7.560 8.056 -0.496 17838 4190 1 5 . 1 1 151 151 LYS N N 420 126.620 126.620 124.434 2.186 17838 4191 1 5 . 1 1 151 151 LYS HA H 420 4.260 4.260 4.160 0.100 17838 4192 1 5 . 1 1 151 151 LYS C C 420 175.210 175.210 175.969 -0.759 17838 4193 1 5 . 1 1 151 151 LYS CA C 420 56.050 56.050 57.027 -0.977 17838 4194 1 5 . 1 1 151 151 LYS CB C 420 33.050 33.050 33.723 -0.673 17838 4195 1 5 . 1 1 151 151 LYS H H 420 8.290 8.290 8.696 -0.406 17838 4196 1 6 . 1 1 3 3 LYS N N 272 123.800 123.800 121.662 2.138 17838 4197 1 6 . 1 1 3 3 LYS HA H 272 4.190 4.190 4.033 0.157 17838 4198 1 6 . 1 1 3 3 LYS C C 272 176.410 176.410 175.481 0.929 17838 4199 1 6 . 1 1 3 3 LYS CA C 272 56.160 56.160 56.940 -0.780 17838 4200 1 6 . 1 1 3 3 LYS CB C 272 31.950 31.950 31.173 0.777 17838 4201 1 6 . 1 1 3 3 LYS H H 272 8.470 8.470 8.766 -0.296 17838 4202 1 6 . 1 1 4 4 LEU N N 273 125.150 125.150 119.370 5.780 17838 4203 1 6 . 1 1 4 4 LEU HA H 273 4.200 4.200 4.557 -0.357 17838 4204 1 6 . 1 1 4 4 LEU C C 273 175.130 175.130 176.778 -1.648 17838 4205 1 6 . 1 1 4 4 LEU CA C 273 55.940 55.940 55.497 0.443 17838 4206 1 6 . 1 1 4 4 LEU CB C 273 43.330 43.330 43.791 -0.461 17838 4207 1 6 . 1 1 4 4 LEU H H 273 8.610 8.610 8.541 0.069 17838 4208 1 6 . 1 1 5 5 GLY N N 274 102.380 102.380 104.822 -2.442 17838 4209 1 6 . 1 1 5 5 GLY C C 274 171.630 171.630 172.278 -0.648 17838 4210 1 6 . 1 1 5 5 GLY CA C 274 44.480 44.480 44.868 -0.388 17838 4211 1 6 . 1 1 5 5 GLY H H 274 7.170 7.170 7.868 -0.698 17838 4212 1 6 . 1 1 6 6 ASP N N 275 116.430 116.430 123.702 -7.272 17838 4213 1 6 . 1 1 6 6 ASP HA H 275 5.760 5.760 5.428 0.332 17838 4214 1 6 . 1 1 6 6 ASP C C 275 174.880 174.880 174.586 0.294 17838 4215 1 6 . 1 1 6 6 ASP CA C 275 53.160 53.160 54.174 -1.014 17838 4216 1 6 . 1 1 6 6 ASP CB C 275 45.720 45.720 43.384 2.336 17838 4217 1 6 . 1 1 6 6 ASP H H 275 8.500 8.500 8.427 0.073 17838 4218 1 6 . 1 1 7 7 ILE N N 276 118.640 118.640 123.802 -5.162 17838 4219 1 6 . 1 1 7 7 ILE HA H 276 5.220 5.220 4.384 0.836 17838 4220 1 6 . 1 1 7 7 ILE C C 276 173.900 173.900 174.844 -0.944 17838 4221 1 6 . 1 1 7 7 ILE CA C 276 58.730 58.730 60.041 -1.311 17838 4222 1 6 . 1 1 7 7 ILE CB C 276 43.680 43.680 42.359 1.321 17838 4223 1 6 . 1 1 7 7 ILE H H 276 9.930 9.930 8.057 1.873 17838 4224 1 6 . 1 1 8 8 CYS N N 277 128.550 128.550 126.680 1.870 17838 4225 1 6 . 1 1 8 8 CYS HA H 277 4.560 4.560 4.789 -0.229 17838 4226 1 6 . 1 1 8 8 CYS C C 277 173.900 173.900 174.137 -0.237 17838 4227 1 6 . 1 1 8 8 CYS CA C 277 56.340 56.340 56.477 -0.137 17838 4228 1 6 . 1 1 8 8 CYS CB C 277 25.930 25.930 25.653 0.277 17838 4229 1 6 . 1 1 8 8 CYS H H 277 8.920 8.920 8.789 0.131 17838 4230 1 6 . 1 1 9 9 PHE N N 278 121.320 121.320 121.877 -0.557 17838 4231 1 6 . 1 1 9 9 PHE HA H 278 5.330 5.330 4.911 0.419 17838 4232 1 6 . 1 1 9 9 PHE C C 278 173.180 173.180 175.305 -2.125 17838 4233 1 6 . 1 1 9 9 PHE CA C 278 54.720 54.720 55.098 -0.378 17838 4234 1 6 . 1 1 9 9 PHE CB C 278 43.080 43.080 39.774 3.306 17838 4235 1 6 . 1 1 9 9 PHE H H 278 7.650 7.650 6.918 0.732 17838 4236 1 6 . 1 1 10 10 SER N N 279 116.160 116.160 117.898 -1.738 17838 4237 1 6 . 1 1 10 10 SER HA H 279 5.870 5.870 5.049 0.821 17838 4238 1 6 . 1 1 10 10 SER C C 279 172.820 172.820 173.977 -1.157 17838 4239 1 6 . 1 1 10 10 SER CA C 279 54.990 54.990 57.827 -2.837 17838 4240 1 6 . 1 1 10 10 SER CB C 279 66.260 66.260 63.671 2.589 17838 4241 1 6 . 1 1 10 10 SER H H 279 9.920 9.920 9.194 0.726 17838 4242 1 6 . 1 1 11 11 LEU N N 280 121.460 121.460 126.621 -5.161 17838 4243 1 6 . 1 1 11 11 LEU HA H 280 5.100 5.100 4.569 0.531 17838 4244 1 6 . 1 1 11 11 LEU C C 280 174.900 174.900 175.785 -0.885 17838 4245 1 6 . 1 1 11 11 LEU CA C 280 53.020 53.020 54.621 -1.601 17838 4246 1 6 . 1 1 11 11 LEU CB C 280 46.790 46.790 41.179 5.611 17838 4247 1 6 . 1 1 11 11 LEU H H 280 8.270 8.270 8.187 0.083 17838 4248 1 6 . 1 1 12 12 ARG N N 281 120.480 120.480 119.332 1.148 17838 4249 1 6 . 1 1 12 12 ARG HA H 281 4.740 4.740 4.692 0.048 17838 4250 1 6 . 1 1 12 12 ARG C C 281 173.410 173.410 173.408 0.002 17838 4251 1 6 . 1 1 12 12 ARG CA C 281 54.810 54.810 55.218 -0.408 17838 4252 1 6 . 1 1 12 12 ARG CB C 281 34.560 34.560 32.630 1.930 17838 4253 1 6 . 1 1 12 12 ARG H H 281 8.240 8.240 8.239 0.001 17838 4254 1 6 . 1 1 13 13 TYR N N 282 127.490 127.490 121.282 6.208 17838 4255 1 6 . 1 1 13 13 TYR HA H 282 5.490 5.490 4.783 0.707 17838 4256 1 6 . 1 1 13 13 TYR C C 282 174.270 174.270 173.682 0.588 17838 4257 1 6 . 1 1 13 13 TYR CA C 282 56.410 56.410 55.992 0.418 17838 4258 1 6 . 1 1 13 13 TYR CB C 282 39.740 39.740 42.994 -3.254 17838 4259 1 6 . 1 1 13 13 TYR H H 282 9.370 9.370 8.867 0.503 17838 4260 1 6 . 1 1 14 14 VAL N N 283 127.660 127.660 123.808 3.852 17838 4261 1 6 . 1 1 14 14 VAL HA H 283 4.240 4.240 4.388 -0.148 17838 4262 1 6 . 1 1 14 14 VAL CA C 283 58.700 58.700 58.866 -0.166 17838 4263 1 6 . 1 1 14 14 VAL CB C 283 32.450 32.450 31.700 0.750 17838 4264 1 6 . 1 1 14 14 VAL H H 283 7.480 7.480 7.928 -0.448 17838 4265 1 6 . 1 1 15 15 PRO HA H 284 3.780 3.780 4.255 -0.475 17838 4266 1 6 . 1 1 15 15 PRO C C 284 178.150 178.150 177.322 0.828 17838 4267 1 6 . 1 1 15 15 PRO CA C 284 65.540 65.540 64.768 0.772 17838 4268 1 6 . 1 1 15 15 PRO CB C 284 32.360 32.360 31.682 0.678 17838 4269 1 6 . 1 1 16 16 THR N N 285 109.040 109.040 109.459 -0.419 17838 4270 1 6 . 1 1 16 16 THR HA H 285 3.850 3.850 4.291 -0.441 17838 4271 1 6 . 1 1 16 16 THR C C 285 174.880 174.880 174.310 0.570 17838 4272 1 6 . 1 1 16 16 THR CA C 285 64.490 64.490 62.614 1.876 17838 4273 1 6 . 1 1 16 16 THR CB C 285 68.150 68.150 68.036 0.114 17838 4274 1 6 . 1 1 16 16 THR H H 285 7.690 7.690 7.693 -0.003 17838 4275 1 6 . 1 1 17 17 ALA N N 286 119.760 119.760 122.713 -2.953 17838 4276 1 6 . 1 1 17 17 ALA HA H 286 4.380 4.380 4.484 -0.104 17838 4277 1 6 . 1 1 17 17 ALA C C 286 177.040 177.040 177.033 0.007 17838 4278 1 6 . 1 1 17 17 ALA CA C 286 51.450 51.450 52.123 -0.673 17838 4279 1 6 . 1 1 17 17 ALA CB C 286 20.320 20.320 20.660 -0.340 17838 4280 1 6 . 1 1 17 17 ALA H H 286 6.520 6.520 7.381 -0.861 17838 4281 1 6 . 1 1 18 18 GLY N N 287 109.040 109.040 109.262 -0.222 17838 4282 1 6 . 1 1 18 18 GLY C C 287 173.990 173.990 172.919 1.071 17838 4283 1 6 . 1 1 18 18 GLY CA C 287 47.150 47.150 45.103 2.047 17838 4284 1 6 . 1 1 18 18 GLY H H 287 7.690 7.690 8.323 -0.633 17838 4285 1 6 . 1 1 19 19 LYS N N 288 117.030 117.030 115.527 1.503 17838 4286 1 6 . 1 1 19 19 LYS HA H 288 4.890 4.890 5.062 -0.172 17838 4287 1 6 . 1 1 19 19 LYS C C 288 173.910 173.910 174.215 -0.305 17838 4288 1 6 . 1 1 19 19 LYS CA C 288 55.100 55.100 54.784 0.316 17838 4289 1 6 . 1 1 19 19 LYS CB C 288 35.520 35.520 36.044 -0.524 17838 4290 1 6 . 1 1 19 19 LYS H H 288 6.630 6.630 7.232 -0.602 17838 4291 1 6 . 1 1 20 20 LEU N N 289 131.970 131.970 121.888 10.082 17838 4292 1 6 . 1 1 20 20 LEU HA H 289 5.480 5.480 4.661 0.819 17838 4293 1 6 . 1 1 20 20 LEU C C 289 174.750 174.750 176.276 -1.526 17838 4294 1 6 . 1 1 20 20 LEU CA C 289 53.620 53.620 55.005 -1.385 17838 4295 1 6 . 1 1 20 20 LEU CB C 289 45.840 45.840 44.062 1.778 17838 4296 1 6 . 1 1 20 20 LEU H H 289 9.260 9.260 9.149 0.111 17838 4297 1 6 . 1 1 21 21 THR N N 290 124.180 124.180 117.530 6.650 17838 4298 1 6 . 1 1 21 21 THR HA H 290 5.260 5.260 5.134 0.126 17838 4299 1 6 . 1 1 21 21 THR C C 290 173.650 173.650 173.949 -0.299 17838 4300 1 6 . 1 1 21 21 THR CA C 290 62.070 62.070 61.958 0.112 17838 4301 1 6 . 1 1 21 21 THR CB C 290 70.920 70.920 69.558 1.361 17838 4302 1 6 . 1 1 21 21 THR H H 290 9.770 9.770 8.079 1.691 17838 4303 1 6 . 1 1 22 22 VAL N N 291 129.970 129.970 128.326 1.644 17838 4304 1 6 . 1 1 22 22 VAL HA H 291 5.010 5.010 4.282 0.728 17838 4305 1 6 . 1 1 22 22 VAL C C 291 174.510 174.510 175.491 -0.981 17838 4306 1 6 . 1 1 22 22 VAL CA C 291 59.970 59.970 62.343 -2.373 17838 4307 1 6 . 1 1 22 22 VAL CB C 291 34.900 34.900 32.345 2.555 17838 4308 1 6 . 1 1 22 22 VAL H H 291 9.510 9.510 8.320 1.190 17838 4309 1 6 . 1 1 23 23 VAL N N 292 125.670 125.670 125.528 0.142 17838 4310 1 6 . 1 1 23 23 VAL HA H 292 4.830 4.830 5.256 -0.426 17838 4311 1 6 . 1 1 23 23 VAL C C 292 177.610 177.610 175.478 2.132 17838 4312 1 6 . 1 1 23 23 VAL CA C 292 60.370 60.370 60.133 0.237 17838 4313 1 6 . 1 1 23 23 VAL CB C 292 32.230 32.230 32.949 -0.719 17838 4314 1 6 . 1 1 23 23 VAL H H 292 8.650 8.650 8.334 0.316 17838 4315 1 6 . 1 1 24 24 ILE N N 293 125.630 125.630 128.494 -2.864 17838 4316 1 6 . 1 1 24 24 ILE HA H 293 4.010 4.010 4.374 -0.364 17838 4317 1 6 . 1 1 24 24 ILE C C 293 175.140 175.140 176.022 -0.882 17838 4318 1 6 . 1 1 24 24 ILE CA C 293 58.560 58.560 61.434 -2.874 17838 4319 1 6 . 1 1 24 24 ILE CB C 293 34.580 34.580 37.814 -3.234 17838 4320 1 6 . 1 1 24 24 ILE H H 293 9.100 9.100 8.708 0.392 17838 4321 1 6 . 1 1 25 25 LEU N N 294 130.570 130.570 129.218 1.352 17838 4322 1 6 . 1 1 25 25 LEU HA H 294 4.110 4.110 4.367 -0.257 17838 4323 1 6 . 1 1 25 25 LEU C C 294 175.250 175.250 176.869 -1.619 17838 4324 1 6 . 1 1 25 25 LEU CA C 294 58.210 58.210 56.906 1.304 17838 4325 1 6 . 1 1 25 25 LEU CB C 294 41.470 41.470 42.704 -1.234 17838 4326 1 6 . 1 1 25 25 LEU H H 294 8.260 8.260 8.334 -0.074 17838 4327 1 6 . 1 1 26 26 GLU N N 295 111.970 111.970 111.377 0.593 17838 4328 1 6 . 1 1 26 26 GLU HA H 295 5.050 5.050 5.172 -0.122 17838 4329 1 6 . 1 1 26 26 GLU C C 295 172.250 172.250 174.335 -2.085 17838 4330 1 6 . 1 1 26 26 GLU CA C 295 54.970 54.970 55.066 -0.096 17838 4331 1 6 . 1 1 26 26 GLU CB C 295 32.990 32.990 33.410 -0.419 17838 4332 1 6 . 1 1 26 26 GLU H H 295 7.490 7.490 7.628 -0.138 17838 4333 1 6 . 1 1 27 27 ALA N N 296 121.530 121.530 120.830 0.700 17838 4334 1 6 . 1 1 27 27 ALA HA H 296 5.550 5.550 4.750 0.800 17838 4335 1 6 . 1 1 27 27 ALA C C 296 174.560 174.560 175.362 -0.802 17838 4336 1 6 . 1 1 27 27 ALA CA C 296 50.780 50.780 51.026 -0.246 17838 4337 1 6 . 1 1 27 27 ALA CB C 296 22.690 22.690 22.816 -0.126 17838 4338 1 6 . 1 1 27 27 ALA H H 296 9.170 9.170 8.706 0.464 17838 4339 1 6 . 1 1 28 28 LYS N N 297 116.690 116.690 120.204 -3.514 17838 4340 1 6 . 1 1 28 28 LYS HA H 297 5.380 5.380 4.770 0.610 17838 4341 1 6 . 1 1 28 28 LYS C C 297 174.200 174.200 175.533 -1.333 17838 4342 1 6 . 1 1 28 28 LYS CA C 297 54.970 54.970 55.600 -0.630 17838 4343 1 6 . 1 1 28 28 LYS CB C 297 37.660 37.660 32.463 5.197 17838 4344 1 6 . 1 1 28 28 LYS H H 297 9.190 9.190 8.432 0.758 17838 4345 1 6 . 1 1 29 29 ASN N N 298 115.540 115.540 118.019 -2.479 17838 4346 1 6 . 1 1 29 29 ASN HA H 298 4.150 4.150 4.742 -0.592 17838 4347 1 6 . 1 1 29 29 ASN C C 298 173.850 173.850 175.574 -1.724 17838 4348 1 6 . 1 1 29 29 ASN CA C 298 53.600 53.600 54.030 -0.430 17838 4349 1 6 . 1 1 29 29 ASN CB C 298 37.000 37.000 39.891 -2.891 17838 4350 1 6 . 1 1 29 29 ASN H H 298 8.640 8.640 8.235 0.405 17838 4351 1 6 . 1 1 30 30 LEU N N 299 114.360 114.360 124.747 -10.387 17838 4352 1 6 . 1 1 30 30 LEU HA H 299 4.500 4.500 4.486 0.014 17838 4353 1 6 . 1 1 30 30 LEU C C 299 174.750 174.750 175.882 -1.132 17838 4354 1 6 . 1 1 30 30 LEU CA C 299 55.010 55.010 54.486 0.524 17838 4355 1 6 . 1 1 30 30 LEU CB C 299 42.820 42.820 39.671 3.149 17838 4356 1 6 . 1 1 30 30 LEU H H 299 8.210 8.210 8.229 -0.019 17838 4357 1 6 . 1 1 31 31 LYS N N 300 119.660 119.660 124.361 -4.701 17838 4358 1 6 . 1 1 31 31 LYS HA H 300 3.900 3.900 4.279 -0.379 17838 4359 1 6 . 1 1 31 31 LYS C C 300 175.130 175.130 175.796 -0.666 17838 4360 1 6 . 1 1 31 31 LYS CA C 300 56.630 56.630 55.198 1.432 17838 4361 1 6 . 1 1 31 31 LYS CB C 300 35.060 35.060 32.981 2.079 17838 4362 1 6 . 1 1 31 31 LYS H H 300 6.830 6.830 8.372 -1.542 17838 4363 1 6 . 1 1 32 32 LYS N N 301 124.550 124.550 119.523 5.027 17838 4364 1 6 . 1 1 32 32 LYS HA H 301 3.760 3.760 4.211 -0.451 17838 4365 1 6 . 1 1 32 32 LYS C C 301 175.590 175.590 176.862 -1.272 17838 4366 1 6 . 1 1 32 32 LYS CA C 301 56.900 56.900 57.364 -0.464 17838 4367 1 6 . 1 1 32 32 LYS CB C 301 32.990 32.990 30.977 2.013 17838 4368 1 6 . 1 1 32 32 LYS H H 301 8.060 8.060 8.479 -0.419 17838 4369 1 6 . 1 1 33 33 MET N N 302 122.790 122.790 119.929 2.861 17838 4370 1 6 . 1 1 33 33 MET HA H 302 4.720 4.720 4.520 0.200 17838 4371 1 6 . 1 1 33 33 MET C C 302 176.510 176.510 176.530 -0.020 17838 4372 1 6 . 1 1 33 33 MET CA C 302 53.860 53.860 55.836 -1.976 17838 4373 1 6 . 1 1 33 33 MET CB C 302 32.590 32.590 32.843 -0.253 17838 4374 1 6 . 1 1 33 33 MET H H 302 7.970 7.970 8.267 -0.297 17838 4375 1 6 . 1 1 34 34 ASP N N 303 124.630 124.630 121.025 3.605 17838 4376 1 6 . 1 1 34 34 ASP HA H 303 5.030 5.030 4.791 0.239 17838 4377 1 6 . 1 1 34 34 ASP CA C 303 52.810 52.810 53.267 -0.457 17838 4378 1 6 . 1 1 34 34 ASP CB C 303 41.950 41.950 43.273 -1.323 17838 4379 1 6 . 1 1 34 34 ASP H H 303 8.080 8.080 7.937 0.143 17838 4380 1 6 . 1 1 35 35 VAL N N 304 125.910 125.910 124.098 1.812 17838 4381 1 6 . 1 1 35 35 VAL HA H 304 3.690 3.690 4.110 -0.420 17838 4382 1 6 . 1 1 35 35 VAL C C 304 176.820 176.820 176.131 0.689 17838 4383 1 6 . 1 1 35 35 VAL CA C 304 64.750 64.750 62.784 1.966 17838 4384 1 6 . 1 1 35 35 VAL CB C 304 31.120 31.120 30.118 1.002 17838 4385 1 6 . 1 1 35 35 VAL H H 304 8.760 8.760 8.546 0.214 17838 4386 1 6 . 1 1 36 36 GLY N N 305 115.560 115.560 115.088 0.472 17838 4387 1 6 . 1 1 36 36 GLY C C 305 174.160 174.160 174.463 -0.303 17838 4388 1 6 . 1 1 36 36 GLY CA C 305 45.740 45.740 44.676 1.063 17838 4389 1 6 . 1 1 36 36 GLY H H 305 8.830 8.830 8.084 0.746 17838 4390 1 6 . 1 1 37 37 GLY N N 306 109.040 109.040 109.176 -0.136 17838 4391 1 6 . 1 1 37 37 GLY C C 306 173.030 173.030 173.104 -0.074 17838 4392 1 6 . 1 1 37 37 GLY CA C 306 45.040 45.040 44.298 0.742 17838 4393 1 6 . 1 1 37 37 GLY H H 306 7.690 7.690 8.399 -0.709 17838 4394 1 6 . 1 1 38 38 LEU N N 307 124.610 124.610 118.911 5.699 17838 4395 1 6 . 1 1 38 38 LEU HA H 307 4.580 4.580 4.730 -0.150 17838 4396 1 6 . 1 1 38 38 LEU CA C 307 53.470 53.470 53.788 -0.318 17838 4397 1 6 . 1 1 38 38 LEU CB C 307 42.060 42.060 45.384 -3.324 17838 4398 1 6 . 1 1 38 38 LEU H H 307 8.410 8.410 8.516 -0.106 17838 4399 1 6 . 1 1 39 39 SER N N 308 115.270 115.270 113.117 2.153 17838 4400 1 6 . 1 1 39 39 SER HA H 308 4.490 4.490 4.582 -0.092 17838 4401 1 6 . 1 1 39 39 SER CA C 308 57.250 57.250 57.877 -0.627 17838 4402 1 6 . 1 1 39 39 SER CB C 308 68.290 68.290 65.901 2.389 17838 4403 1 6 . 1 1 39 39 SER H H 308 7.080 7.080 8.319 -1.239 17838 4404 1 6 . 1 1 40 40 ASP N N 309 121.280 121.280 121.445 -0.165 17838 4405 1 6 . 1 1 40 40 ASP HA H 309 5.880 5.880 5.268 0.612 17838 4406 1 6 . 1 1 40 40 ASP CA C 309 52.000 52.000 51.727 0.272 17838 4407 1 6 . 1 1 40 40 ASP CB C 309 42.350 42.350 42.774 -0.424 17838 4408 1 6 . 1 1 40 40 ASP H H 309 9.270 9.270 9.021 0.249 17838 4409 1 6 . 1 1 41 41 PRO HA H 310 5.680 5.680 4.635 1.045 17838 4410 1 6 . 1 1 41 41 PRO C C 310 179.050 179.050 175.789 3.261 17838 4411 1 6 . 1 1 41 41 PRO CA C 310 62.970 62.970 62.441 0.529 17838 4412 1 6 . 1 1 41 41 PRO CB C 310 32.940 32.940 32.438 0.502 17838 4413 1 6 . 1 1 42 42 TYR N N 311 122.860 122.860 123.762 -0.902 17838 4414 1 6 . 1 1 42 42 TYR HA H 311 4.740 4.740 4.693 0.047 17838 4415 1 6 . 1 1 42 42 TYR C C 311 170.780 170.780 173.395 -2.615 17838 4416 1 6 . 1 1 42 42 TYR CA C 311 55.640 55.640 57.636 -1.996 17838 4417 1 6 . 1 1 42 42 TYR CB C 311 41.950 41.950 41.742 0.208 17838 4418 1 6 . 1 1 42 42 TYR H H 311 9.130 9.130 8.307 0.823 17838 4419 1 6 . 1 1 43 43 VAL N N 312 120.460 120.460 121.201 -0.741 17838 4420 1 6 . 1 1 43 43 VAL HA H 312 4.840 4.840 5.075 -0.235 17838 4421 1 6 . 1 1 43 43 VAL C C 312 174.430 174.430 173.333 1.097 17838 4422 1 6 . 1 1 43 43 VAL CA C 312 60.110 60.110 58.917 1.193 17838 4423 1 6 . 1 1 43 43 VAL CB C 312 33.430 33.430 35.853 -2.423 17838 4424 1 6 . 1 1 43 43 VAL H H 312 8.570 8.570 7.968 0.602 17838 4425 1 6 . 1 1 44 44 LYS N N 313 125.500 125.500 118.282 7.218 17838 4426 1 6 . 1 1 44 44 LYS HA H 313 4.840 4.840 5.014 -0.174 17838 4427 1 6 . 1 1 44 44 LYS C C 313 174.300 174.300 174.647 -0.347 17838 4428 1 6 . 1 1 44 44 LYS CA C 313 54.680 54.680 54.081 0.599 17838 4429 1 6 . 1 1 44 44 LYS CB C 313 36.140 36.140 36.589 -0.449 17838 4430 1 6 . 1 1 44 44 LYS H H 313 9.050 9.050 8.688 0.362 17838 4431 1 6 . 1 1 45 45 ILE N N 314 123.760 123.760 121.159 2.601 17838 4432 1 6 . 1 1 45 45 ILE HA H 314 4.780 4.780 4.508 0.272 17838 4433 1 6 . 1 1 45 45 ILE C C 314 174.700 174.700 173.976 0.724 17838 4434 1 6 . 1 1 45 45 ILE CA C 314 60.050 60.050 59.807 0.243 17838 4435 1 6 . 1 1 45 45 ILE CB C 314 41.800 41.800 41.554 0.246 17838 4436 1 6 . 1 1 45 45 ILE H H 314 8.770 8.770 8.301 0.469 17838 4437 1 6 . 1 1 46 46 HIS N N 315 122.820 122.820 123.461 -0.641 17838 4438 1 6 . 1 1 46 46 HIS HA H 315 5.340 5.340 4.986 0.354 17838 4439 1 6 . 1 1 46 46 HIS C C 315 173.540 173.540 174.137 -0.597 17838 4440 1 6 . 1 1 46 46 HIS CA C 315 54.590 54.590 54.719 -0.129 17838 4441 1 6 . 1 1 46 46 HIS CB C 315 34.280 34.280 33.903 0.377 17838 4442 1 6 . 1 1 46 46 HIS H H 315 9.070 9.070 9.066 0.004 17838 4443 1 6 . 1 1 47 47 LEU N N 316 124.780 124.780 118.730 6.050 17838 4444 1 6 . 1 1 47 47 LEU HA H 316 4.760 4.760 5.247 -0.486 17838 4445 1 6 . 1 1 47 47 LEU C C 316 174.720 174.720 175.584 -0.864 17838 4446 1 6 . 1 1 47 47 LEU CA C 316 53.480 53.480 53.738 -0.258 17838 4447 1 6 . 1 1 47 47 LEU CB C 316 44.010 44.010 43.604 0.406 17838 4448 1 6 . 1 1 47 47 LEU H H 316 8.350 8.350 8.129 0.221 17838 4449 1 6 . 1 1 48 48 MET N N 317 125.550 125.550 121.767 3.783 17838 4450 1 6 . 1 1 48 48 MET HA H 317 5.360 5.360 4.855 0.505 17838 4451 1 6 . 1 1 48 48 MET C C 317 174.720 174.720 175.655 -0.935 17838 4452 1 6 . 1 1 48 48 MET CA C 317 53.490 53.490 53.118 0.372 17838 4453 1 6 . 1 1 48 48 MET CB C 317 35.800 35.800 30.488 5.312 17838 4454 1 6 . 1 1 48 48 MET H H 317 9.240 9.240 8.912 0.328 17838 4455 1 6 . 1 1 49 49 GLN N N 318 118.130 118.130 124.338 -6.208 17838 4456 1 6 . 1 1 49 49 GLN HA H 318 4.350 4.350 4.393 -0.043 17838 4457 1 6 . 1 1 49 49 GLN C C 318 175.850 175.850 176.115 -0.265 17838 4458 1 6 . 1 1 49 49 GLN CA C 318 56.330 56.330 56.380 -0.050 17838 4459 1 6 . 1 1 49 49 GLN CB C 318 32.240 32.240 29.231 3.009 17838 4460 1 6 . 1 1 49 49 GLN H H 318 8.510 8.510 8.189 0.321 17838 4461 1 6 . 1 1 50 50 ASN N N 319 127.590 127.590 125.291 2.299 17838 4462 1 6 . 1 1 50 50 ASN HA H 319 4.250 4.250 4.235 0.015 17838 4463 1 6 . 1 1 50 50 ASN C C 319 174.650 174.650 175.073 -0.423 17838 4464 1 6 . 1 1 50 50 ASN CA C 319 54.180 54.180 53.475 0.705 17838 4465 1 6 . 1 1 50 50 ASN CB C 319 37.640 37.640 38.015 -0.375 17838 4466 1 6 . 1 1 50 50 ASN H H 319 9.430 9.430 9.386 0.044 17838 4467 1 6 . 1 1 51 51 GLY N N 320 104.030 104.030 103.052 0.978 17838 4468 1 6 . 1 1 51 51 GLY C C 320 173.160 173.160 173.763 -0.603 17838 4469 1 6 . 1 1 51 51 GLY CA C 320 45.480 45.480 45.619 -0.139 17838 4470 1 6 . 1 1 51 51 GLY H H 320 8.950 8.950 8.091 0.859 17838 4471 1 6 . 1 1 52 52 LYS N N 321 120.220 120.220 120.598 -0.378 17838 4472 1 6 . 1 1 52 52 LYS HA H 321 4.400 4.400 4.605 -0.205 17838 4473 1 6 . 1 1 52 52 LYS C C 321 175.370 175.370 175.202 0.168 17838 4474 1 6 . 1 1 52 52 LYS CA C 321 54.340 54.340 54.457 -0.117 17838 4475 1 6 . 1 1 52 52 LYS CB C 321 34.230 34.230 35.319 -1.089 17838 4476 1 6 . 1 1 52 52 LYS H H 321 7.650 7.650 7.607 0.043 17838 4477 1 6 . 1 1 53 53 ARG N N 322 123.540 123.540 125.070 -1.530 17838 4478 1 6 . 1 1 53 53 ARG HA H 322 4.410 4.410 4.526 -0.116 17838 4479 1 6 . 1 1 53 53 ARG C C 322 175.650 175.650 175.955 -0.305 17838 4480 1 6 . 1 1 53 53 ARG CA C 322 56.620 56.620 57.114 -0.494 17838 4481 1 6 . 1 1 53 53 ARG CB C 322 29.960 29.960 29.662 0.298 17838 4482 1 6 . 1 1 53 53 ARG H H 322 8.700 8.700 8.748 -0.048 17838 4483 1 6 . 1 1 54 54 LEU N N 323 127.220 127.220 127.025 0.195 17838 4484 1 6 . 1 1 54 54 LEU HA H 323 4.350 4.350 4.340 0.010 17838 4485 1 6 . 1 1 54 54 LEU C C 323 177.380 177.380 176.672 0.708 17838 4486 1 6 . 1 1 54 54 LEU CA C 323 56.230 56.230 55.931 0.299 17838 4487 1 6 . 1 1 54 54 LEU CB C 323 42.950 42.950 43.108 -0.158 17838 4488 1 6 . 1 1 54 54 LEU H H 323 9.270 9.270 8.779 0.491 17838 4489 1 6 . 1 1 55 55 LYS N N 324 115.210 115.210 116.065 -0.855 17838 4490 1 6 . 1 1 55 55 LYS HA H 324 4.670 4.670 4.672 -0.002 17838 4491 1 6 . 1 1 55 55 LYS C C 324 174.480 174.480 174.259 0.221 17838 4492 1 6 . 1 1 55 55 LYS CA C 324 54.460 54.460 54.719 -0.259 17838 4493 1 6 . 1 1 55 55 LYS CB C 324 37.580 37.580 36.374 1.206 17838 4494 1 6 . 1 1 55 55 LYS H H 324 7.410 7.410 7.760 -0.350 17838 4495 1 6 . 1 1 56 56 LYS N N 325 122.420 122.420 119.015 3.405 17838 4496 1 6 . 1 1 56 56 LYS HA H 325 5.320 5.320 4.623 0.697 17838 4497 1 6 . 1 1 56 56 LYS C C 325 174.700 174.700 175.918 -1.218 17838 4498 1 6 . 1 1 56 56 LYS CA C 325 54.970 54.970 54.972 -0.002 17838 4499 1 6 . 1 1 56 56 LYS CB C 325 35.730 35.730 34.075 1.655 17838 4500 1 6 . 1 1 56 56 LYS H H 325 8.470 8.470 8.295 0.175 17838 4501 1 6 . 1 1 57 57 LYS N N 326 122.740 122.740 124.027 -1.287 17838 4502 1 6 . 1 1 57 57 LYS HA H 326 4.630 4.630 4.678 -0.048 17838 4503 1 6 . 1 1 57 57 LYS C C 326 174.330 174.330 174.784 -0.454 17838 4504 1 6 . 1 1 57 57 LYS CA C 326 53.560 53.560 54.387 -0.827 17838 4505 1 6 . 1 1 57 57 LYS CB C 326 37.960 37.960 36.650 1.310 17838 4506 1 6 . 1 1 57 57 LYS H H 326 8.850 8.850 8.926 -0.076 17838 4507 1 6 . 1 1 58 58 LYS N N 327 118.070 118.070 120.120 -2.050 17838 4508 1 6 . 1 1 58 58 LYS HA H 327 5.380 5.380 4.640 0.740 17838 4509 1 6 . 1 1 58 58 LYS C C 327 174.810 174.810 174.193 0.617 17838 4510 1 6 . 1 1 58 58 LYS CA C 327 55.120 55.120 55.611 -0.491 17838 4511 1 6 . 1 1 58 58 LYS CB C 327 36.900 36.900 35.368 1.532 17838 4512 1 6 . 1 1 58 58 LYS H H 327 8.310 8.310 8.567 -0.257 17838 4513 1 6 . 1 1 59 59 THR N N 328 110.590 110.590 115.177 -4.587 17838 4514 1 6 . 1 1 59 59 THR HA H 328 4.850 4.850 4.573 0.277 17838 4515 1 6 . 1 1 59 59 THR C C 328 175.550 175.550 172.846 2.704 17838 4516 1 6 . 1 1 59 59 THR CA C 328 60.950 60.950 60.722 0.228 17838 4517 1 6 . 1 1 59 59 THR CB C 328 73.290 73.290 71.037 2.253 17838 4518 1 6 . 1 1 59 59 THR H H 328 8.650 8.650 7.971 0.679 17838 4519 1 6 . 1 1 60 60 THR N N 329 109.520 109.520 123.248 -13.728 17838 4520 1 6 . 1 1 60 60 THR HA H 329 4.120 4.120 4.346 -0.226 17838 4521 1 6 . 1 1 60 60 THR C C 329 173.570 173.570 173.442 0.128 17838 4522 1 6 . 1 1 60 60 THR CA C 329 62.710 62.710 62.972 -0.262 17838 4523 1 6 . 1 1 60 60 THR CB C 329 70.920 70.920 68.926 1.994 17838 4524 1 6 . 1 1 60 60 THR H H 329 9.420 9.420 8.153 1.267 17838 4525 1 6 . 1 1 61 61 ILE N N 330 119.070 119.070 125.109 -6.039 17838 4526 1 6 . 1 1 61 61 ILE HA H 330 4.230 4.230 3.825 0.405 17838 4527 1 6 . 1 1 61 61 ILE C C 330 177.050 177.050 175.529 1.521 17838 4528 1 6 . 1 1 61 61 ILE CA C 330 61.060 61.060 59.666 1.394 17838 4529 1 6 . 1 1 61 61 ILE CB C 330 40.200 40.200 40.022 0.178 17838 4530 1 6 . 1 1 61 61 ILE H H 330 8.060 8.060 8.121 -0.061 17838 4531 1 6 . 1 1 62 62 LYS N N 331 127.440 127.440 125.057 2.383 17838 4532 1 6 . 1 1 62 62 LYS HA H 331 4.620 4.620 4.310 0.310 17838 4533 1 6 . 1 1 62 62 LYS C C 331 174.080 174.080 176.413 -2.333 17838 4534 1 6 . 1 1 62 62 LYS CA C 331 52.170 52.170 56.707 -4.537 17838 4535 1 6 . 1 1 62 62 LYS CB C 331 31.610 31.610 33.067 -1.457 17838 4536 1 6 . 1 1 62 62 LYS H H 331 7.970 7.970 8.659 -0.689 17838 4537 1 6 . 1 1 63 63 LYS N N 332 118.220 118.220 121.558 -3.338 17838 4538 1 6 . 1 1 63 63 LYS HA H 332 4.630 4.630 4.294 0.336 17838 4539 1 6 . 1 1 63 63 LYS C C 332 177.270 177.270 177.291 -0.021 17838 4540 1 6 . 1 1 63 63 LYS CA C 332 55.310 55.310 56.186 -0.876 17838 4541 1 6 . 1 1 63 63 LYS CB C 332 33.550 33.550 33.275 0.275 17838 4542 1 6 . 1 1 63 63 LYS H H 332 8.000 8.000 8.329 -0.329 17838 4543 1 6 . 1 1 64 64 ASN N N 333 122.920 122.920 117.391 5.529 17838 4544 1 6 . 1 1 64 64 ASN HA H 333 4.250 4.250 4.470 -0.220 17838 4545 1 6 . 1 1 64 64 ASN C C 333 173.470 173.470 173.998 -0.528 17838 4546 1 6 . 1 1 64 64 ASN CA C 333 54.030 54.030 54.542 -0.512 17838 4547 1 6 . 1 1 64 64 ASN CB C 333 37.910 37.910 37.603 0.306 17838 4548 1 6 . 1 1 64 64 ASN H H 333 9.710 9.710 9.241 0.469 17838 4549 1 6 . 1 1 65 65 THR N N 334 112.090 112.090 106.973 5.117 17838 4550 1 6 . 1 1 65 65 THR HA H 334 4.600 4.600 4.616 -0.016 17838 4551 1 6 . 1 1 65 65 THR C C 334 170.000 170.000 173.557 -3.557 17838 4552 1 6 . 1 1 65 65 THR CA C 334 60.580 60.580 59.913 0.667 17838 4553 1 6 . 1 1 65 65 THR CB C 334 68.600 68.600 71.975 -3.374 17838 4554 1 6 . 1 1 65 65 THR H H 334 8.630 8.630 7.730 0.900 17838 4555 1 6 . 1 1 66 66 LEU N N 335 121.880 121.880 120.026 1.854 17838 4556 1 6 . 1 1 66 66 LEU HA H 335 4.500 4.500 4.984 -0.484 17838 4557 1 6 . 1 1 66 66 LEU C C 335 173.970 173.970 176.367 -2.397 17838 4558 1 6 . 1 1 66 66 LEU CA C 335 52.790 52.790 54.961 -2.171 17838 4559 1 6 . 1 1 66 66 LEU CB C 335 40.560 40.560 43.008 -2.448 17838 4560 1 6 . 1 1 66 66 LEU H H 335 8.530 8.530 8.433 0.097 17838 4561 1 6 . 1 1 67 67 ASN N N 336 115.420 115.420 117.958 -2.538 17838 4562 1 6 . 1 1 67 67 ASN HA H 336 5.500 5.500 5.389 0.111 17838 4563 1 6 . 1 1 67 67 ASN CA C 336 51.190 51.190 50.418 0.772 17838 4564 1 6 . 1 1 67 67 ASN CB C 336 41.620 41.620 40.313 1.307 17838 4565 1 6 . 1 1 67 67 ASN H H 336 8.540 8.540 7.946 0.594 17838 4566 1 6 . 1 1 68 68 PRO HA H 337 4.170 4.170 4.371 -0.201 17838 4567 1 6 . 1 1 68 68 PRO C C 337 173.480 173.480 175.386 -1.906 17838 4568 1 6 . 1 1 68 68 PRO CA C 337 62.710 62.710 63.494 -0.784 17838 4569 1 6 . 1 1 68 68 PRO CB C 337 32.610 32.610 31.314 1.296 17838 4570 1 6 . 1 1 69 69 TYR N N 338 120.550 120.550 125.856 -5.306 17838 4571 1 6 . 1 1 69 69 TYR HA H 338 4.470 4.470 4.704 -0.234 17838 4572 1 6 . 1 1 69 69 TYR C C 338 174.390 174.390 173.310 1.080 17838 4573 1 6 . 1 1 69 69 TYR CA C 338 57.740 57.740 56.971 0.769 17838 4574 1 6 . 1 1 69 69 TYR CB C 338 40.530 40.530 42.102 -1.572 17838 4575 1 6 . 1 1 69 69 TYR H H 338 8.060 8.060 8.062 -0.002 17838 4576 1 6 . 1 1 70 70 TYR N N 339 122.140 122.140 126.280 -4.140 17838 4577 1 6 . 1 1 70 70 TYR HA H 339 4.400 4.400 3.880 0.520 17838 4578 1 6 . 1 1 70 70 TYR C C 339 175.190 175.190 173.762 1.428 17838 4579 1 6 . 1 1 70 70 TYR CA C 339 59.040 59.040 58.446 0.594 17838 4580 1 6 . 1 1 70 70 TYR CB C 339 40.290 40.290 41.513 -1.223 17838 4581 1 6 . 1 1 70 70 TYR H H 339 8.080 8.080 7.718 0.362 17838 4582 1 6 . 1 1 71 71 ASN N N 340 120.260 120.260 119.545 0.715 17838 4583 1 6 . 1 1 71 71 ASN HA H 340 4.080 4.080 4.540 -0.460 17838 4584 1 6 . 1 1 71 71 ASN C C 340 173.510 173.510 174.207 -0.697 17838 4585 1 6 . 1 1 71 71 ASN CA C 340 53.960 53.960 53.926 0.034 17838 4586 1 6 . 1 1 71 71 ASN CB C 340 37.450 37.450 37.823 -0.373 17838 4587 1 6 . 1 1 71 71 ASN H H 340 8.130 8.130 7.879 0.251 17838 4588 1 6 . 1 1 72 72 GLU N N 341 117.370 117.370 121.079 -3.709 17838 4589 1 6 . 1 1 72 72 GLU HA H 341 4.300 4.300 4.588 -0.288 17838 4590 1 6 . 1 1 72 72 GLU C C 341 173.000 173.000 174.911 -1.911 17838 4591 1 6 . 1 1 72 72 GLU CA C 341 55.470 55.470 54.480 0.990 17838 4592 1 6 . 1 1 72 72 GLU CB C 341 33.320 33.320 33.163 0.157 17838 4593 1 6 . 1 1 72 72 GLU H H 341 7.530 7.530 8.033 -0.503 17838 4594 1 6 . 1 1 73 73 SER N N 342 117.330 117.330 116.036 1.294 17838 4595 1 6 . 1 1 73 73 SER HA H 342 4.740 4.740 5.008 -0.268 17838 4596 1 6 . 1 1 73 73 SER C C 342 172.930 172.930 173.527 -0.597 17838 4597 1 6 . 1 1 73 73 SER CA C 342 56.810 56.810 57.193 -0.383 17838 4598 1 6 . 1 1 73 73 SER CB C 342 64.720 64.720 64.276 0.444 17838 4599 1 6 . 1 1 73 73 SER H H 342 8.010 8.010 8.309 -0.299 17838 4600 1 6 . 1 1 74 74 PHE N N 343 123.520 123.520 124.263 -0.743 17838 4601 1 6 . 1 1 74 74 PHE HA H 343 4.480 4.480 4.740 -0.260 17838 4602 1 6 . 1 1 74 74 PHE C C 343 173.480 173.480 175.249 -1.769 17838 4603 1 6 . 1 1 74 74 PHE CA C 343 57.280 57.280 57.173 0.107 17838 4604 1 6 . 1 1 74 74 PHE CB C 343 43.130 43.130 40.812 2.318 17838 4605 1 6 . 1 1 74 74 PHE H H 343 8.780 8.780 8.789 -0.009 17838 4606 1 6 . 1 1 75 75 SER N N 344 116.700 116.700 119.891 -3.191 17838 4607 1 6 . 1 1 75 75 SER HA H 344 5.480 5.480 5.173 0.307 17838 4608 1 6 . 1 1 75 75 SER C C 344 172.170 172.170 173.766 -1.596 17838 4609 1 6 . 1 1 75 75 SER CA C 344 57.210 57.210 57.810 -0.600 17838 4610 1 6 . 1 1 75 75 SER CB C 344 66.140 66.140 64.537 1.603 17838 4611 1 6 . 1 1 75 75 SER H H 344 8.430 8.430 8.972 -0.542 17838 4612 1 6 . 1 1 76 76 PHE N N 345 119.990 119.990 122.275 -2.285 17838 4613 1 6 . 1 1 76 76 PHE HA H 345 4.800 4.800 4.665 0.135 17838 4614 1 6 . 1 1 76 76 PHE C C 345 173.440 173.440 173.492 -0.052 17838 4615 1 6 . 1 1 76 76 PHE CA C 345 56.080 56.080 56.127 -0.047 17838 4616 1 6 . 1 1 76 76 PHE CB C 345 43.520 43.520 42.138 1.382 17838 4617 1 6 . 1 1 76 76 PHE H H 345 9.440 9.440 8.602 0.838 17838 4618 1 6 . 1 1 77 77 GLU N N 346 124.120 124.120 128.816 -4.696 17838 4619 1 6 . 1 1 77 77 GLU HA H 346 4.890 4.890 4.452 0.438 17838 4620 1 6 . 1 1 77 77 GLU C C 346 175.510 175.510 175.161 0.349 17838 4621 1 6 . 1 1 77 77 GLU CA C 346 55.880 55.880 55.688 0.192 17838 4622 1 6 . 1 1 77 77 GLU CB C 346 29.220 29.220 28.616 0.605 17838 4623 1 6 . 1 1 77 77 GLU H H 346 9.000 9.000 8.879 0.121 17838 4624 1 6 . 1 1 78 78 VAL N N 347 125.140 125.140 118.793 6.347 17838 4625 1 6 . 1 1 78 78 VAL HA H 347 4.390 4.390 4.567 -0.177 17838 4626 1 6 . 1 1 78 78 VAL CA C 347 59.350 59.350 58.204 1.146 17838 4627 1 6 . 1 1 78 78 VAL CB C 347 35.710 35.710 34.113 1.597 17838 4628 1 6 . 1 1 78 78 VAL H H 347 8.470 8.470 7.663 0.807 17838 4629 1 6 . 1 1 79 79 PRO HA H 348 4.550 4.550 4.587 -0.037 17838 4630 1 6 . 1 1 79 79 PRO C C 348 177.330 177.330 178.147 -0.817 17838 4631 1 6 . 1 1 79 79 PRO CA C 348 62.850 62.850 63.065 -0.215 17838 4632 1 6 . 1 1 79 79 PRO CB C 348 32.870 32.870 31.841 1.028 17838 4633 1 6 . 1 1 80 80 PHE N N 349 125.590 125.590 120.396 5.194 17838 4634 1 6 . 1 1 80 80 PHE HA H 349 4.610 4.610 3.753 0.857 17838 4635 1 6 . 1 1 80 80 PHE C C 349 177.630 177.630 176.930 0.700 17838 4636 1 6 . 1 1 80 80 PHE CA C 349 61.050 61.050 61.125 -0.075 17838 4637 1 6 . 1 1 80 80 PHE CB C 349 38.960 38.960 37.587 1.373 17838 4638 1 6 . 1 1 80 80 PHE H H 349 9.250 9.250 8.150 1.100 17838 4639 1 6 . 1 1 81 81 GLU N N 350 116.260 116.260 117.930 -1.670 17838 4640 1 6 . 1 1 81 81 GLU HA H 350 3.870 3.870 4.044 -0.174 17838 4641 1 6 . 1 1 81 81 GLU C C 350 176.960 176.960 176.638 0.322 17838 4642 1 6 . 1 1 81 81 GLU CA C 350 58.870 58.870 57.822 1.048 17838 4643 1 6 . 1 1 81 81 GLU CB C 350 28.590 28.590 27.893 0.697 17838 4644 1 6 . 1 1 81 81 GLU H H 350 9.120 9.120 8.144 0.976 17838 4645 1 6 . 1 1 82 82 GLN N N 351 116.390 116.390 118.067 -1.677 17838 4646 1 6 . 1 1 82 82 GLN HA H 351 4.300 4.300 4.335 -0.035 17838 4647 1 6 . 1 1 82 82 GLN C C 351 177.670 177.670 177.323 0.347 17838 4648 1 6 . 1 1 82 82 GLN CA C 351 55.020 55.020 55.207 -0.187 17838 4649 1 6 . 1 1 82 82 GLN CB C 351 30.360 30.360 29.244 1.117 17838 4650 1 6 . 1 1 82 82 GLN H H 351 8.080 8.080 7.535 0.545 17838 4651 1 6 . 1 1 83 83 ILE N N 352 120.350 120.350 121.319 -0.969 17838 4652 1 6 . 1 1 83 83 ILE HA H 352 3.900 3.900 3.670 0.230 17838 4653 1 6 . 1 1 83 83 ILE C C 352 174.820 174.820 176.054 -1.234 17838 4654 1 6 . 1 1 83 83 ILE CA C 352 60.850 60.850 64.800 -3.950 17838 4655 1 6 . 1 1 83 83 ILE CB C 352 38.610 38.610 38.412 0.198 17838 4656 1 6 . 1 1 83 83 ILE H H 352 7.110 7.110 7.407 -0.297 17838 4657 1 6 . 1 1 84 84 GLN N N 353 116.230 116.230 114.129 2.101 17838 4658 1 6 . 1 1 84 84 GLN HA H 353 4.290 4.290 4.486 -0.196 17838 4659 1 6 . 1 1 84 84 GLN C C 353 176.520 176.520 175.434 1.086 17838 4660 1 6 . 1 1 84 84 GLN CA C 353 57.040 57.040 55.885 1.155 17838 4661 1 6 . 1 1 84 84 GLN CB C 353 27.700 27.700 27.884 -0.184 17838 4662 1 6 . 1 1 84 84 GLN H H 353 8.110 8.110 8.432 -0.322 17838 4663 1 6 . 1 1 85 85 LYS N N 354 114.900 114.900 117.731 -2.831 17838 4664 1 6 . 1 1 85 85 LYS HA H 354 4.010 4.010 4.391 -0.381 17838 4665 1 6 . 1 1 85 85 LYS C C 354 175.920 175.920 175.660 0.260 17838 4666 1 6 . 1 1 85 85 LYS CA C 354 55.090 55.090 55.952 -0.862 17838 4667 1 6 . 1 1 85 85 LYS CB C 354 33.610 33.610 33.935 -0.325 17838 4668 1 6 . 1 1 85 85 LYS H H 354 7.750 7.750 7.865 -0.115 17838 4669 1 6 . 1 1 86 86 VAL N N 355 112.960 112.960 113.613 -0.653 17838 4670 1 6 . 1 1 86 86 VAL HA H 355 4.810 4.810 4.478 0.332 17838 4671 1 6 . 1 1 86 86 VAL C C 355 174.780 174.780 173.871 0.909 17838 4672 1 6 . 1 1 86 86 VAL CA C 355 60.450 60.450 59.478 0.972 17838 4673 1 6 . 1 1 86 86 VAL CB C 355 34.320 34.320 34.667 -0.347 17838 4674 1 6 . 1 1 86 86 VAL H H 355 6.900 6.900 7.041 -0.141 17838 4675 1 6 . 1 1 87 87 GLN N N 356 118.230 118.230 120.916 -2.686 17838 4676 1 6 . 1 1 87 87 GLN HA H 356 4.370 4.370 4.769 -0.399 17838 4677 1 6 . 1 1 87 87 GLN C C 356 174.390 174.390 174.002 0.388 17838 4678 1 6 . 1 1 87 87 GLN CA C 356 54.410 54.410 55.373 -0.963 17838 4679 1 6 . 1 1 87 87 GLN CB C 356 30.820 30.820 31.083 -0.263 17838 4680 1 6 . 1 1 87 87 GLN H H 356 8.560 8.560 8.372 0.188 17838 4681 1 6 . 1 1 88 88 VAL N N 357 122.080 122.080 127.025 -4.945 17838 4682 1 6 . 1 1 88 88 VAL HA H 357 4.580 4.580 4.753 -0.173 17838 4683 1 6 . 1 1 88 88 VAL C C 357 173.860 173.860 173.845 0.015 17838 4684 1 6 . 1 1 88 88 VAL CA C 357 61.190 61.190 60.748 0.441 17838 4685 1 6 . 1 1 88 88 VAL CB C 357 31.950 31.950 33.856 -1.907 17838 4686 1 6 . 1 1 88 88 VAL H H 357 8.300 8.300 9.084 -0.784 17838 4687 1 6 . 1 1 89 89 VAL N N 358 127.800 127.800 128.452 -0.652 17838 4688 1 6 . 1 1 89 89 VAL HA H 358 4.270 4.270 5.136 -0.866 17838 4689 1 6 . 1 1 89 89 VAL C C 358 174.840 174.840 174.261 0.579 17838 4690 1 6 . 1 1 89 89 VAL CA C 358 61.240 61.240 59.357 1.883 17838 4691 1 6 . 1 1 89 89 VAL CB C 358 33.020 33.020 35.064 -2.044 17838 4692 1 6 . 1 1 89 89 VAL H H 358 9.010 9.010 9.264 -0.254 17838 4693 1 6 . 1 1 90 90 VAL N N 359 129.800 129.800 129.623 0.177 17838 4694 1 6 . 1 1 90 90 VAL HA H 359 4.490 4.490 4.221 0.269 17838 4695 1 6 . 1 1 90 90 VAL C C 359 173.580 173.580 175.486 -1.906 17838 4696 1 6 . 1 1 90 90 VAL CA C 359 61.480 61.480 61.581 -0.101 17838 4697 1 6 . 1 1 90 90 VAL CB C 359 33.530 33.530 31.641 1.889 17838 4698 1 6 . 1 1 90 90 VAL H H 359 9.120 9.120 8.992 0.128 17838 4699 1 6 . 1 1 91 91 THR N N 360 122.290 122.290 121.748 0.542 17838 4700 1 6 . 1 1 91 91 THR HA H 360 4.770 4.770 4.650 0.120 17838 4701 1 6 . 1 1 91 91 THR C C 360 173.010 173.010 173.821 -0.811 17838 4702 1 6 . 1 1 91 91 THR CA C 360 61.360 61.360 60.784 0.576 17838 4703 1 6 . 1 1 91 91 THR CB C 360 70.860 70.860 69.267 1.593 17838 4704 1 6 . 1 1 91 91 THR H H 360 8.750 8.750 9.277 -0.527 17838 4705 1 6 . 1 1 92 92 VAL N N 361 125.180 125.180 127.386 -2.206 17838 4706 1 6 . 1 1 92 92 VAL HA H 361 4.670 4.670 4.197 0.473 17838 4707 1 6 . 1 1 92 92 VAL C C 361 174.220 174.220 174.405 -0.185 17838 4708 1 6 . 1 1 92 92 VAL CA C 361 61.000 61.000 61.704 -0.704 17838 4709 1 6 . 1 1 92 92 VAL CB C 361 31.960 31.960 32.038 -0.078 17838 4710 1 6 . 1 1 92 92 VAL H H 361 8.580 8.580 8.582 -0.002 17838 4711 1 6 . 1 1 93 93 LEU N N 362 127.950 127.950 127.056 0.894 17838 4712 1 6 . 1 1 93 93 LEU HA H 362 4.750 4.750 4.624 0.126 17838 4713 1 6 . 1 1 93 93 LEU C C 362 173.470 173.470 174.647 -1.177 17838 4714 1 6 . 1 1 93 93 LEU CA C 362 55.470 55.470 54.205 1.265 17838 4715 1 6 . 1 1 93 93 LEU CB C 362 44.440 44.440 46.473 -2.033 17838 4716 1 6 . 1 1 93 93 LEU H H 362 8.860 8.860 8.788 0.072 17838 4717 1 6 . 1 1 94 94 ASP N N 363 116.580 116.580 117.537 -0.957 17838 4718 1 6 . 1 1 94 94 ASP HA H 363 4.810 4.810 5.151 -0.341 17838 4719 1 6 . 1 1 94 94 ASP C C 363 175.870 175.870 174.449 1.421 17838 4720 1 6 . 1 1 94 94 ASP CA C 363 52.020 52.020 52.674 -0.654 17838 4721 1 6 . 1 1 94 94 ASP CB C 363 44.160 44.160 44.580 -0.420 17838 4722 1 6 . 1 1 94 94 ASP H H 363 8.380 8.380 8.109 0.271 17838 4723 1 6 . 1 1 95 95 TYR N N 364 127.590 127.590 121.270 6.320 17838 4724 1 6 . 1 1 95 95 TYR HA H 364 4.310 4.310 4.691 -0.381 17838 4725 1 6 . 1 1 95 95 TYR C C 364 175.260 175.260 174.886 0.374 17838 4726 1 6 . 1 1 95 95 TYR CA C 364 59.750 59.750 55.387 4.363 17838 4727 1 6 . 1 1 95 95 TYR CB C 364 39.300 39.300 38.034 1.266 17838 4728 1 6 . 1 1 95 95 TYR H H 364 9.380 9.380 8.771 0.609 17838 4729 1 6 . 1 1 96 96 ASP N N 365 131.500 131.500 122.433 9.067 17838 4730 1 6 . 1 1 96 96 ASP HA H 365 4.590 4.590 4.390 0.200 17838 4731 1 6 . 1 1 96 96 ASP C C 365 172.480 172.480 175.760 -3.280 17838 4732 1 6 . 1 1 96 96 ASP CA C 365 52.630 52.630 55.711 -3.081 17838 4733 1 6 . 1 1 96 96 ASP CB C 365 41.910 41.910 41.274 0.636 17838 4734 1 6 . 1 1 96 96 ASP H H 365 7.800 7.800 8.286 -0.486 17838 4735 1 6 . 1 1 97 97 LYS N N 366 120.720 120.720 125.079 -4.359 17838 4736 1 6 . 1 1 97 97 LYS HA H 366 3.840 3.840 3.951 -0.111 17838 4737 1 6 . 1 1 97 97 LYS C C 366 176.440 176.440 176.009 0.431 17838 4738 1 6 . 1 1 97 97 LYS CA C 366 58.400 58.400 57.215 1.185 17838 4739 1 6 . 1 1 97 97 LYS CB C 366 33.030 33.030 30.992 2.038 17838 4740 1 6 . 1 1 97 97 LYS H H 366 8.030 8.030 8.843 -0.813 17838 4741 1 6 . 1 1 98 98 ILE N N 367 117.460 117.460 115.058 2.402 17838 4742 1 6 . 1 1 98 98 ILE HA H 367 4.080 4.080 3.782 0.298 17838 4743 1 6 . 1 1 98 98 ILE C C 367 176.200 176.200 175.779 0.421 17838 4744 1 6 . 1 1 98 98 ILE CA C 367 60.910 60.910 62.375 -1.465 17838 4745 1 6 . 1 1 98 98 ILE CB C 367 38.440 38.440 35.547 2.893 17838 4746 1 6 . 1 1 98 98 ILE H H 367 7.790 7.790 8.473 -0.683 17838 4747 1 6 . 1 1 99 99 GLY N N 368 113.730 113.730 109.693 4.037 17838 4748 1 6 . 1 1 99 99 GLY C C 368 173.460 173.460 172.965 0.495 17838 4749 1 6 . 1 1 99 99 GLY CA C 368 44.190 44.190 45.491 -1.301 17838 4750 1 6 . 1 1 99 99 GLY H H 368 8.160 8.160 7.595 0.565 17838 4751 1 6 . 1 1 100 100 LYS N N 369 119.980 119.980 121.836 -1.856 17838 4752 1 6 . 1 1 100 100 LYS HA H 369 4.260 4.260 4.689 -0.429 17838 4753 1 6 . 1 1 100 100 LYS C C 369 175.270 175.270 174.490 0.780 17838 4754 1 6 . 1 1 100 100 LYS CA C 369 56.030 56.030 55.738 0.292 17838 4755 1 6 . 1 1 100 100 LYS CB C 369 33.090 33.090 35.068 -1.978 17838 4756 1 6 . 1 1 100 100 LYS H H 369 8.020 8.020 8.260 -0.240 17838 4757 1 6 . 1 1 101 101 ASN N N 370 124.530 124.530 122.710 1.820 17838 4758 1 6 . 1 1 101 101 ASN HA H 370 5.040 5.040 4.922 0.118 17838 4759 1 6 . 1 1 101 101 ASN CA C 370 52.230 52.230 52.029 0.201 17838 4760 1 6 . 1 1 101 101 ASN CB C 370 38.490 38.490 41.423 -2.933 17838 4761 1 6 . 1 1 101 101 ASN H H 370 8.730 8.730 8.590 0.140 17838 4762 1 6 . 1 1 102 102 ASP N N 371 123.520 123.520 119.179 4.341 17838 4763 1 6 . 1 1 102 102 ASP HA H 371 4.590 4.590 4.610 -0.020 17838 4764 1 6 . 1 1 102 102 ASP CA C 371 53.980 53.980 53.575 0.405 17838 4765 1 6 . 1 1 102 102 ASP CB C 371 42.940 42.940 43.450 -0.510 17838 4766 1 6 . 1 1 102 102 ASP H H 371 8.550 8.550 8.303 0.247 17838 4767 1 6 . 1 1 103 103 ALA N N 372 124.120 124.120 120.512 3.608 17838 4768 1 6 . 1 1 103 103 ALA HA H 372 4.210 4.210 4.102 0.108 17838 4769 1 6 . 1 1 103 103 ALA C C 372 177.140 177.140 176.492 0.648 17838 4770 1 6 . 1 1 103 103 ALA CA C 372 52.910 52.910 53.261 -0.351 17838 4771 1 6 . 1 1 103 103 ALA CB C 372 17.740 17.740 17.381 0.359 17838 4772 1 6 . 1 1 103 103 ALA H H 372 8.870 8.870 9.015 -0.145 17838 4773 1 6 . 1 1 104 104 ILE N N 373 123.110 123.110 118.946 4.164 17838 4774 1 6 . 1 1 104 104 ILE HA H 373 3.850 3.850 4.314 -0.464 17838 4775 1 6 . 1 1 104 104 ILE C C 373 176.450 176.450 175.742 0.708 17838 4776 1 6 . 1 1 104 104 ILE CA C 373 64.670 64.670 61.227 3.443 17838 4777 1 6 . 1 1 104 104 ILE CB C 373 38.900 38.900 39.778 -0.877 17838 4778 1 6 . 1 1 104 104 ILE H H 373 9.490 9.490 8.538 0.952 17838 4779 1 6 . 1 1 105 105 GLY N N 374 99.210 99.210 108.033 -8.823 17838 4780 1 6 . 1 1 105 105 GLY C C 374 170.160 170.160 171.560 -1.400 17838 4781 1 6 . 1 1 105 105 GLY CA C 374 46.130 46.130 45.520 0.610 17838 4782 1 6 . 1 1 105 105 GLY H H 374 7.310 7.310 7.798 -0.488 17838 4783 1 6 . 1 1 106 106 LYS N N 375 119.580 119.580 122.771 -3.191 17838 4784 1 6 . 1 1 106 106 LYS HA H 375 5.520 5.520 5.654 -0.134 17838 4785 1 6 . 1 1 106 106 LYS C C 375 173.600 173.600 174.517 -0.917 17838 4786 1 6 . 1 1 106 106 LYS CA C 375 55.130 55.130 55.535 -0.405 17838 4787 1 6 . 1 1 106 106 LYS CB C 375 39.040 39.040 37.327 1.713 17838 4788 1 6 . 1 1 106 106 LYS H H 375 9.600 9.600 9.016 0.584 17838 4789 1 6 . 1 1 107 107 VAL N N 376 116.620 116.620 120.562 -3.942 17838 4790 1 6 . 1 1 107 107 VAL HA H 376 4.670 4.670 4.241 0.429 17838 4791 1 6 . 1 1 107 107 VAL C C 376 172.040 172.040 172.937 -0.897 17838 4792 1 6 . 1 1 107 107 VAL CA C 376 60.670 60.670 60.389 0.281 17838 4793 1 6 . 1 1 107 107 VAL CB C 376 35.220 35.220 35.578 -0.358 17838 4794 1 6 . 1 1 107 107 VAL H H 376 8.910 8.910 8.023 0.887 17838 4795 1 6 . 1 1 108 108 PHE N N 377 120.920 120.920 120.563 0.357 17838 4796 1 6 . 1 1 108 108 PHE HA H 377 5.690 5.690 5.637 0.053 17838 4797 1 6 . 1 1 108 108 PHE CA C 377 55.460 55.460 54.871 0.589 17838 4798 1 6 . 1 1 108 108 PHE CB C 377 44.420 44.420 41.442 2.978 17838 4799 1 6 . 1 1 108 108 PHE H H 377 8.560 8.560 7.688 0.872 17838 4800 1 6 . 1 1 109 109 VAL N N 378 108.500 108.500 116.468 -7.968 17838 4801 1 6 . 1 1 109 109 VAL HA H 378 4.150 4.150 4.605 -0.455 17838 4802 1 6 . 1 1 109 109 VAL CA C 378 58.140 58.140 58.839 -0.699 17838 4803 1 6 . 1 1 109 109 VAL CB C 378 33.750 33.750 34.697 -0.947 17838 4804 1 6 . 1 1 109 109 VAL H H 378 8.320 8.320 8.809 -0.489 17838 4805 1 6 . 1 1 110 110 GLY CA C 379 41.340 41.340 44.474 -3.134 17838 4806 1 6 . 1 1 111 111 TYR HA H 380 4.010 4.010 4.169 -0.159 17838 4807 1 6 . 1 1 111 111 TYR CA C 380 59.880 59.880 60.916 -1.036 17838 4808 1 6 . 1 1 111 111 TYR CB C 380 37.860 37.860 38.871 -1.011 17838 4809 1 6 . 1 1 112 112 ASN HA H 381 4.250 4.250 4.356 -0.106 17838 4810 1 6 . 1 1 112 112 ASN CA C 381 54.170 54.170 52.532 1.638 17838 4811 1 6 . 1 1 112 112 ASN CB C 381 37.810 37.810 36.475 1.335 17838 4812 1 6 . 1 1 113 113 SER HA H 382 4.140 4.140 4.767 -0.627 17838 4813 1 6 . 1 1 113 113 SER C C 382 172.760 172.760 174.078 -1.318 17838 4814 1 6 . 1 1 113 113 SER CA C 382 58.610 58.610 56.766 1.844 17838 4815 1 6 . 1 1 113 113 SER CB C 382 64.620 64.620 65.269 -0.649 17838 4816 1 6 . 1 1 114 114 THR N N 383 106.230 106.230 118.078 -11.848 17838 4817 1 6 . 1 1 114 114 THR HA H 383 4.730 4.730 4.437 0.293 17838 4818 1 6 . 1 1 114 114 THR C C 383 176.030 176.030 176.184 -0.154 17838 4819 1 6 . 1 1 114 114 THR CA C 383 60.120 60.120 62.545 -2.425 17838 4820 1 6 . 1 1 114 114 THR CB C 383 72.950 72.950 69.569 3.381 17838 4821 1 6 . 1 1 114 114 THR H H 383 7.710 7.710 8.177 -0.467 17838 4822 1 6 . 1 1 115 115 GLY N N 384 108.400 108.400 109.939 -1.539 17838 4823 1 6 . 1 1 115 115 GLY C C 384 175.920 175.920 176.462 -0.542 17838 4824 1 6 . 1 1 115 115 GLY CA C 384 47.150 47.150 47.542 -0.392 17838 4825 1 6 . 1 1 115 115 GLY H H 384 8.840 8.840 8.647 0.193 17838 4826 1 6 . 1 1 116 116 ALA N N 385 129.610 129.610 124.397 5.213 17838 4827 1 6 . 1 1 116 116 ALA HA H 385 4.110 4.110 4.061 0.049 17838 4828 1 6 . 1 1 116 116 ALA C C 385 179.670 179.670 180.182 -0.512 17838 4829 1 6 . 1 1 116 116 ALA CA C 385 54.310 54.310 54.978 -0.668 17838 4830 1 6 . 1 1 116 116 ALA CB C 385 18.100 18.100 18.535 -0.435 17838 4831 1 6 . 1 1 116 116 ALA H H 385 9.310 9.310 8.252 1.058 17838 4832 1 6 . 1 1 117 117 GLU N N 386 121.720 121.720 119.145 2.575 17838 4833 1 6 . 1 1 117 117 GLU HA H 386 4.110 4.110 4.142 -0.032 17838 4834 1 6 . 1 1 117 117 GLU C C 386 175.960 175.960 179.188 -3.228 17838 4835 1 6 . 1 1 117 117 GLU CA C 386 62.450 62.450 59.425 3.025 17838 4836 1 6 . 1 1 117 117 GLU CB C 386 29.830 29.830 29.105 0.725 17838 4837 1 6 . 1 1 117 117 GLU H H 386 8.140 8.140 8.136 0.004 17838 4838 1 6 . 1 1 118 118 LEU N N 387 122.820 122.820 122.326 0.494 17838 4839 1 6 . 1 1 118 118 LEU HA H 387 4.140 4.140 4.246 -0.106 17838 4840 1 6 . 1 1 118 118 LEU C C 387 179.580 179.580 178.674 0.906 17838 4841 1 6 . 1 1 118 118 LEU CA C 387 56.900 56.900 58.008 -1.108 17838 4842 1 6 . 1 1 118 118 LEU CB C 387 40.270 40.270 41.814 -1.544 17838 4843 1 6 . 1 1 118 118 LEU H H 387 6.570 6.570 8.593 -2.023 17838 4844 1 6 . 1 1 119 119 ARG N N 388 119.950 119.950 119.015 0.935 17838 4845 1 6 . 1 1 119 119 ARG HA H 388 4.090 4.090 3.994 0.096 17838 4846 1 6 . 1 1 119 119 ARG C C 388 177.240 177.240 178.255 -1.015 17838 4847 1 6 . 1 1 119 119 ARG CA C 388 59.220 59.220 59.390 -0.170 17838 4848 1 6 . 1 1 119 119 ARG CB C 388 29.990 29.990 30.010 -0.020 17838 4849 1 6 . 1 1 119 119 ARG H H 388 8.120 8.120 8.402 -0.282 17838 4850 1 6 . 1 1 120 120 HIS N N 389 118.040 118.040 118.549 -0.509 17838 4851 1 6 . 1 1 120 120 HIS HA H 389 4.560 4.560 4.539 0.021 17838 4852 1 6 . 1 1 120 120 HIS CA C 389 57.520 57.520 57.421 0.099 17838 4853 1 6 . 1 1 120 120 HIS CB C 389 32.980 32.980 30.382 2.598 17838 4854 1 6 . 1 1 120 120 HIS H H 389 7.510 7.510 7.927 -0.417 17838 4855 1 6 . 1 1 121 121 TRP N N 390 118.700 118.700 121.812 -3.112 17838 4856 1 6 . 1 1 121 121 TRP HA H 390 4.010 4.010 4.357 -0.347 17838 4857 1 6 . 1 1 121 121 TRP C C 390 176.900 176.900 177.678 -0.778 17838 4858 1 6 . 1 1 121 121 TRP CA C 390 60.240 60.240 60.680 -0.440 17838 4859 1 6 . 1 1 121 121 TRP CB C 390 30.800 30.800 29.714 1.086 17838 4860 1 6 . 1 1 121 121 TRP H H 390 7.650 7.650 8.684 -1.034 17838 4861 1 6 . 1 1 122 122 SER N N 391 113.110 113.110 111.898 1.212 17838 4862 1 6 . 1 1 122 122 SER HA H 391 4.010 4.010 4.515 -0.505 17838 4863 1 6 . 1 1 122 122 SER C C 391 177.460 177.460 173.722 3.738 17838 4864 1 6 . 1 1 122 122 SER CA C 391 61.970 61.970 58.896 3.074 17838 4865 1 6 . 1 1 122 122 SER CB C 391 62.490 62.490 62.329 0.161 17838 4866 1 6 . 1 1 122 122 SER H H 391 9.060 9.060 8.376 0.684 17838 4867 1 6 . 1 1 123 123 ASP N N 392 123.980 123.980 120.698 3.282 17838 4868 1 6 . 1 1 123 123 ASP HA H 392 4.380 4.380 4.725 -0.345 17838 4869 1 6 . 1 1 123 123 ASP C C 392 178.830 178.830 176.753 2.077 17838 4870 1 6 . 1 1 123 123 ASP CA C 392 57.570 57.570 55.554 2.016 17838 4871 1 6 . 1 1 123 123 ASP CB C 392 40.040 40.040 42.197 -2.157 17838 4872 1 6 . 1 1 123 123 ASP H H 392 8.870 8.870 8.066 0.804 17838 4873 1 6 . 1 1 124 124 MET N N 393 121.910 121.910 118.570 3.340 17838 4874 1 6 . 1 1 124 124 MET HA H 393 3.970 3.970 4.597 -0.627 17838 4875 1 6 . 1 1 124 124 MET C C 393 179.000 179.000 176.928 2.072 17838 4876 1 6 . 1 1 124 124 MET CA C 393 59.350 59.350 56.541 2.809 17838 4877 1 6 . 1 1 124 124 MET CB C 393 32.590 32.590 34.462 -1.872 17838 4878 1 6 . 1 1 124 124 MET H H 393 7.960 7.960 8.415 -0.455 17838 4879 1 6 . 1 1 125 125 LEU N N 394 118.500 118.500 115.649 2.851 17838 4880 1 6 . 1 1 125 125 LEU HA H 394 3.890 3.890 4.748 -0.858 17838 4881 1 6 . 1 1 125 125 LEU C C 394 178.170 178.170 177.313 0.857 17838 4882 1 6 . 1 1 125 125 LEU CA C 394 56.880 56.880 54.485 2.395 17838 4883 1 6 . 1 1 125 125 LEU CB C 394 41.730 41.730 40.648 1.081 17838 4884 1 6 . 1 1 125 125 LEU H H 394 7.610 7.610 7.241 0.369 17838 4885 1 6 . 1 1 126 126 ALA N N 395 118.600 118.600 120.805 -2.205 17838 4886 1 6 . 1 1 126 126 ALA HA H 395 4.220 4.220 3.956 0.264 17838 4887 1 6 . 1 1 126 126 ALA C C 395 176.770 176.770 176.946 -0.176 17838 4888 1 6 . 1 1 126 126 ALA CA C 395 52.850 52.850 54.232 -1.382 17838 4889 1 6 . 1 1 126 126 ALA CB C 395 19.460 19.460 19.299 0.161 17838 4890 1 6 . 1 1 126 126 ALA H H 395 7.850 7.850 7.861 -0.011 17838 4891 1 6 . 1 1 127 127 ASN N N 396 115.840 115.840 113.981 1.859 17838 4892 1 6 . 1 1 127 127 ASN HA H 396 5.100 5.100 4.998 0.102 17838 4893 1 6 . 1 1 127 127 ASN CA C 396 51.110 51.110 53.191 -2.081 17838 4894 1 6 . 1 1 127 127 ASN CB C 396 40.740 40.740 38.495 2.245 17838 4895 1 6 . 1 1 127 127 ASN H H 396 7.150 7.150 8.147 -0.997 17838 4896 1 6 . 1 1 128 128 PRO HA H 397 4.750 4.750 4.434 0.316 17838 4897 1 6 . 1 1 128 128 PRO C C 397 177.390 177.390 177.191 0.199 17838 4898 1 6 . 1 1 128 128 PRO CA C 397 63.910 63.910 63.287 0.623 17838 4899 1 6 . 1 1 128 128 PRO CB C 397 32.250 32.250 32.275 -0.025 17838 4900 1 6 . 1 1 129 129 ARG N N 398 111.560 111.560 118.424 -6.864 17838 4901 1 6 . 1 1 129 129 ARG HA H 398 3.530 3.530 4.763 -1.233 17838 4902 1 6 . 1 1 129 129 ARG C C 398 174.880 174.880 175.551 -0.671 17838 4903 1 6 . 1 1 129 129 ARG CA C 398 58.750 58.750 55.373 3.377 17838 4904 1 6 . 1 1 129 129 ARG CB C 398 29.040 29.040 30.858 -1.817 17838 4905 1 6 . 1 1 129 129 ARG H H 398 8.300 8.300 8.512 -0.212 17838 4906 1 6 . 1 1 130 130 ARG N N 399 120.840 120.840 121.661 -0.821 17838 4907 1 6 . 1 1 130 130 ARG HA H 399 4.800 4.800 4.507 0.293 17838 4908 1 6 . 1 1 130 130 ARG CA C 399 53.050 53.050 52.683 0.367 17838 4909 1 6 . 1 1 130 130 ARG CB C 399 31.420 31.420 29.419 2.001 17838 4910 1 6 . 1 1 130 130 ARG H H 399 7.980 7.980 8.124 -0.144 17838 4911 1 6 . 1 1 131 131 PRO HA H 400 4.810 4.810 4.683 0.127 17838 4912 1 6 . 1 1 131 131 PRO C C 400 176.610 176.610 175.716 0.894 17838 4913 1 6 . 1 1 131 131 PRO CA C 400 61.490 61.490 62.311 -0.821 17838 4914 1 6 . 1 1 131 131 PRO CB C 400 43.560 43.560 31.974 11.586 17838 4915 1 6 . 1 1 132 132 ILE N N 401 123.900 123.900 127.162 -3.262 17838 4916 1 6 . 1 1 132 132 ILE HA H 401 4.530 4.530 4.280 0.250 17838 4917 1 6 . 1 1 132 132 ILE C C 401 176.480 176.480 174.882 1.598 17838 4918 1 6 . 1 1 132 132 ILE CA C 401 58.360 58.360 59.252 -0.892 17838 4919 1 6 . 1 1 132 132 ILE CB C 401 39.250 39.250 38.221 1.029 17838 4920 1 6 . 1 1 132 132 ILE H H 401 9.000 9.000 7.863 1.137 17838 4921 1 6 . 1 1 133 133 ALA N N 402 137.830 137.830 131.030 6.800 17838 4922 1 6 . 1 1 133 133 ALA HA H 402 4.920 4.920 4.803 0.117 17838 4923 1 6 . 1 1 133 133 ALA C C 402 175.260 175.260 176.611 -1.351 17838 4924 1 6 . 1 1 133 133 ALA CA C 402 51.090 51.090 51.420 -0.330 17838 4925 1 6 . 1 1 133 133 ALA CB C 402 20.360 20.360 20.021 0.339 17838 4926 1 6 . 1 1 133 133 ALA H H 402 9.560 9.560 8.663 0.897 17838 4927 1 6 . 1 1 134 134 GLN N N 403 119.730 119.730 121.075 -1.345 17838 4928 1 6 . 1 1 134 134 GLN HA H 403 4.020 4.020 4.791 -0.771 17838 4929 1 6 . 1 1 134 134 GLN C C 403 173.700 173.700 174.950 -1.250 17838 4930 1 6 . 1 1 134 134 GLN CA C 403 55.050 55.050 53.942 1.108 17838 4931 1 6 . 1 1 134 134 GLN CB C 403 32.660 32.660 32.019 0.641 17838 4932 1 6 . 1 1 134 134 GLN H H 403 7.620 7.620 8.314 -0.694 17838 4933 1 6 . 1 1 135 135 TRP N N 404 123.420 123.420 121.505 1.915 17838 4934 1 6 . 1 1 135 135 TRP HA H 404 4.510 4.510 4.612 -0.102 17838 4935 1 6 . 1 1 135 135 TRP C C 404 176.280 176.280 174.915 1.365 17838 4936 1 6 . 1 1 135 135 TRP CA C 404 57.880 57.880 56.004 1.876 17838 4937 1 6 . 1 1 135 135 TRP CB C 404 30.110 30.110 30.299 -0.189 17838 4938 1 6 . 1 1 135 135 TRP H H 404 8.310 8.310 8.209 0.101 17838 4939 1 6 . 1 1 136 136 HIS N N 405 117.210 117.210 122.196 -4.986 17838 4940 1 6 . 1 1 136 136 HIS HA H 405 4.810 4.810 4.868 -0.058 17838 4941 1 6 . 1 1 136 136 HIS C C 405 173.490 173.490 173.617 -0.127 17838 4942 1 6 . 1 1 136 136 HIS CA C 405 55.160 55.160 55.720 -0.560 17838 4943 1 6 . 1 1 136 136 HIS CB C 405 33.410 33.410 33.892 -0.482 17838 4944 1 6 . 1 1 136 136 HIS H H 405 9.470 9.470 8.583 0.887 17838 4945 1 6 . 1 1 137 137 THR N N 406 122.780 122.780 121.747 1.033 17838 4946 1 6 . 1 1 137 137 THR HA H 406 4.840 4.840 4.694 0.146 17838 4947 1 6 . 1 1 137 137 THR C C 406 174.350 174.350 174.459 -0.109 17838 4948 1 6 . 1 1 137 137 THR CA C 406 62.650 62.650 63.239 -0.589 17838 4949 1 6 . 1 1 137 137 THR CB C 406 70.330 70.330 69.277 1.053 17838 4950 1 6 . 1 1 137 137 THR H H 406 9.430 9.430 8.288 1.142 17838 4951 1 6 . 1 1 138 138 LEU N N 407 124.890 124.890 125.520 -0.630 17838 4952 1 6 . 1 1 138 138 LEU HA H 407 3.910 3.910 4.596 -0.686 17838 4953 1 6 . 1 1 138 138 LEU C C 407 175.480 175.480 175.497 -0.017 17838 4954 1 6 . 1 1 138 138 LEU CA C 407 55.950 55.950 53.870 2.080 17838 4955 1 6 . 1 1 138 138 LEU CB C 407 43.050 43.050 44.841 -1.791 17838 4956 1 6 . 1 1 138 138 LEU H H 407 8.730 8.730 8.734 -0.004 17838 4957 1 6 . 1 1 139 139 GLN N N 408 119.630 119.630 118.968 0.662 17838 4958 1 6 . 1 1 139 139 GLN HA H 408 4.680 4.680 4.613 0.067 17838 4959 1 6 . 1 1 139 139 GLN C C 408 175.100 175.100 175.289 -0.189 17838 4960 1 6 . 1 1 139 139 GLN CA C 408 53.830 53.830 53.560 0.270 17838 4961 1 6 . 1 1 139 139 GLN CB C 408 32.150 32.150 31.794 0.356 17838 4962 1 6 . 1 1 139 139 GLN H H 408 8.470 8.470 8.624 -0.154 17838 4963 1 6 . 1 1 140 140 VAL N N 409 119.820 119.820 115.903 3.917 17838 4964 1 6 . 1 1 140 140 VAL HA H 409 3.850 3.850 4.327 -0.477 17838 4965 1 6 . 1 1 140 140 VAL C C 409 178.020 178.020 176.733 1.287 17838 4966 1 6 . 1 1 140 140 VAL CA C 409 63.130 63.130 59.628 3.502 17838 4967 1 6 . 1 1 140 140 VAL CB C 409 32.500 32.500 33.465 -0.965 17838 4968 1 6 . 1 1 140 140 VAL H H 409 8.410 8.410 8.335 0.075 17838 4969 1 6 . 1 1 141 141 GLU N N 410 127.170 127.170 120.862 6.308 17838 4970 1 6 . 1 1 141 141 GLU HA H 410 3.490 3.490 3.880 -0.390 17838 4971 1 6 . 1 1 141 141 GLU C C 410 176.850 176.850 178.204 -1.354 17838 4972 1 6 . 1 1 141 141 GLU CA C 410 60.610 60.610 59.915 0.695 17838 4973 1 6 . 1 1 141 141 GLU CB C 410 29.530 29.530 28.379 1.151 17838 4974 1 6 . 1 1 141 141 GLU H H 410 8.940 8.940 8.983 -0.043 17838 4975 1 6 . 1 1 142 142 GLU N N 411 115.780 115.780 118.861 -3.081 17838 4976 1 6 . 1 1 142 142 GLU HA H 411 3.950 3.950 4.096 -0.146 17838 4977 1 6 . 1 1 142 142 GLU C C 411 179.050 179.050 179.242 -0.192 17838 4978 1 6 . 1 1 142 142 GLU CA C 411 59.920 59.920 59.062 0.858 17838 4979 1 6 . 1 1 142 142 GLU CB C 411 28.940 28.940 28.981 -0.041 17838 4980 1 6 . 1 1 142 142 GLU H H 411 9.070 9.070 8.804 0.266 17838 4981 1 6 . 1 1 143 143 GLU N N 412 118.520 118.520 118.600 -0.080 17838 4982 1 6 . 1 1 143 143 GLU HA H 412 4.050 4.050 4.245 -0.195 17838 4983 1 6 . 1 1 143 143 GLU C C 412 178.870 178.870 178.087 0.783 17838 4984 1 6 . 1 1 143 143 GLU CA C 412 58.590 58.590 58.631 -0.041 17838 4985 1 6 . 1 1 143 143 GLU CB C 412 29.190 29.190 29.794 -0.604 17838 4986 1 6 . 1 1 143 143 GLU H H 412 7.080 7.080 7.966 -0.886 17838 4987 1 6 . 1 1 144 144 VAL N N 413 121.110 121.110 120.007 1.103 17838 4988 1 6 . 1 1 144 144 VAL HA H 413 3.680 3.680 4.177 -0.497 17838 4989 1 6 . 1 1 144 144 VAL C C 413 177.970 177.970 177.945 0.025 17838 4990 1 6 . 1 1 144 144 VAL CA C 413 66.140 66.140 63.509 2.631 17838 4991 1 6 . 1 1 144 144 VAL CB C 413 31.620 31.620 32.389 -0.769 17838 4992 1 6 . 1 1 144 144 VAL H H 413 7.550 7.550 7.361 0.189 17838 4993 1 6 . 1 1 145 145 ASP N N 414 120.040 120.040 122.854 -2.814 17838 4994 1 6 . 1 1 145 145 ASP HA H 414 4.020 4.020 4.394 -0.374 17838 4995 1 6 . 1 1 145 145 ASP C C 414 178.910 178.910 177.094 1.816 17838 4996 1 6 . 1 1 145 145 ASP CA C 414 57.620 57.620 57.378 0.242 17838 4997 1 6 . 1 1 145 145 ASP CB C 414 38.690 38.690 41.001 -2.311 17838 4998 1 6 . 1 1 145 145 ASP H H 414 8.660 8.660 8.749 -0.089 17838 4999 1 6 . 1 1 146 146 ALA N N 415 121.010 121.010 119.821 1.189 17838 5000 1 6 . 1 1 146 146 ALA HA H 415 4.020 4.020 4.522 -0.502 17838 5001 1 6 . 1 1 146 146 ALA C C 415 179.930 179.930 177.617 2.313 17838 5002 1 6 . 1 1 146 146 ALA CA C 415 54.820 54.820 52.187 2.633 17838 5003 1 6 . 1 1 146 146 ALA CB C 415 17.910 17.910 19.066 -1.156 17838 5004 1 6 . 1 1 146 146 ALA H H 415 7.270 7.270 7.509 -0.239 17838 5005 1 6 . 1 1 147 147 MET N N 416 116.980 116.980 117.842 -0.862 17838 5006 1 6 . 1 1 147 147 MET HA H 416 4.150 4.150 4.564 -0.414 17838 5007 1 6 . 1 1 147 147 MET C C 416 177.990 177.990 175.644 2.346 17838 5008 1 6 . 1 1 147 147 MET CA C 416 57.600 57.600 54.672 2.928 17838 5009 1 6 . 1 1 147 147 MET CB C 416 33.140 33.140 34.531 -1.391 17838 5010 1 6 . 1 1 147 147 MET H H 416 7.410 7.410 7.867 -0.457 17838 5011 1 6 . 1 1 148 148 LEU N N 417 118.550 118.550 117.189 1.361 17838 5012 1 6 . 1 1 148 148 LEU HA H 417 3.540 3.540 4.472 -0.932 17838 5013 1 6 . 1 1 148 148 LEU C C 417 176.810 176.810 175.623 1.187 17838 5014 1 6 . 1 1 148 148 LEU CA C 417 55.670 55.670 54.823 0.847 17838 5015 1 6 . 1 1 148 148 LEU CB C 417 42.650 42.650 41.876 0.775 17838 5016 1 6 . 1 1 148 148 LEU H H 417 7.560 7.560 7.366 0.194 17838 5017 1 6 . 1 1 149 149 ALA N N 418 119.940 119.940 122.805 -2.865 17838 5018 1 6 . 1 1 149 149 ALA HA H 418 4.010 4.010 4.360 -0.350 17838 5019 1 6 . 1 1 149 149 ALA C C 418 177.010 177.010 176.859 0.151 17838 5020 1 6 . 1 1 149 149 ALA CA C 418 52.310 52.310 50.788 1.522 17838 5021 1 6 . 1 1 149 149 ALA CB C 418 18.700 18.700 18.750 -0.050 17838 5022 1 6 . 1 1 149 149 ALA H H 418 7.080 7.080 7.363 -0.283 17838 5023 1 6 . 1 1 150 150 VAL N N 419 118.810 118.810 122.519 -3.709 17838 5024 1 6 . 1 1 150 150 VAL HA H 419 3.840 3.840 3.698 0.142 17838 5025 1 6 . 1 1 150 150 VAL C C 419 175.760 175.760 176.133 -0.373 17838 5026 1 6 . 1 1 150 150 VAL CA C 419 62.930 62.930 63.442 -0.512 17838 5027 1 6 . 1 1 150 150 VAL CB C 419 32.450 32.450 30.752 1.698 17838 5028 1 6 . 1 1 150 150 VAL H H 419 7.560 7.560 8.070 -0.510 17838 5029 1 6 . 1 1 151 151 LYS N N 420 126.620 126.620 120.060 6.560 17838 5030 1 6 . 1 1 151 151 LYS HA H 420 4.260 4.260 4.214 0.046 17838 5031 1 6 . 1 1 151 151 LYS C C 420 175.210 175.210 175.626 -0.416 17838 5032 1 6 . 1 1 151 151 LYS CA C 420 56.050 56.050 56.611 -0.561 17838 5033 1 6 . 1 1 151 151 LYS CB C 420 33.050 33.050 33.296 -0.246 17838 5034 1 6 . 1 1 151 151 LYS H H 420 8.290 8.290 8.457 -0.167 17838 5035 1 7 . 1 1 3 3 LYS N N 272 123.800 123.800 122.073 1.727 17838 5036 1 7 . 1 1 3 3 LYS HA H 272 4.190 4.190 3.976 0.214 17838 5037 1 7 . 1 1 3 3 LYS C C 272 176.410 176.410 175.071 1.339 17838 5038 1 7 . 1 1 3 3 LYS CA C 272 56.160 56.160 56.998 -0.838 17838 5039 1 7 . 1 1 3 3 LYS CB C 272 31.950 31.950 31.429 0.521 17838 5040 1 7 . 1 1 3 3 LYS H H 272 8.470 8.470 8.608 -0.138 17838 5041 1 7 . 1 1 4 4 LEU N N 273 125.150 125.150 119.335 5.815 17838 5042 1 7 . 1 1 4 4 LEU HA H 273 4.200 4.200 4.546 -0.346 17838 5043 1 7 . 1 1 4 4 LEU C C 273 175.130 175.130 176.011 -0.881 17838 5044 1 7 . 1 1 4 4 LEU CA C 273 55.940 55.940 54.108 1.832 17838 5045 1 7 . 1 1 4 4 LEU CB C 273 43.330 43.330 41.826 1.504 17838 5046 1 7 . 1 1 4 4 LEU H H 273 8.610 8.610 8.113 0.497 17838 5047 1 7 . 1 1 5 5 GLY N N 274 102.380 102.380 105.844 -3.464 17838 5048 1 7 . 1 1 5 5 GLY C C 274 171.630 171.630 172.176 -0.546 17838 5049 1 7 . 1 1 5 5 GLY CA C 274 44.480 44.480 44.705 -0.225 17838 5050 1 7 . 1 1 5 5 GLY H H 274 7.170 7.170 7.669 -0.499 17838 5051 1 7 . 1 1 6 6 ASP N N 275 116.430 116.430 125.633 -9.203 17838 5052 1 7 . 1 1 6 6 ASP HA H 275 5.760 5.760 5.473 0.287 17838 5053 1 7 . 1 1 6 6 ASP C C 275 174.880 174.880 174.258 0.622 17838 5054 1 7 . 1 1 6 6 ASP CA C 275 53.160 53.160 53.981 -0.821 17838 5055 1 7 . 1 1 6 6 ASP CB C 275 45.720 45.720 43.637 2.083 17838 5056 1 7 . 1 1 6 6 ASP H H 275 8.500 8.500 8.354 0.146 17838 5057 1 7 . 1 1 7 7 ILE N N 276 118.640 118.640 122.354 -3.714 17838 5058 1 7 . 1 1 7 7 ILE HA H 276 5.220 5.220 4.462 0.758 17838 5059 1 7 . 1 1 7 7 ILE C C 276 173.900 173.900 173.991 -0.091 17838 5060 1 7 . 1 1 7 7 ILE CA C 276 58.730 58.730 60.220 -1.490 17838 5061 1 7 . 1 1 7 7 ILE CB C 276 43.680 43.680 43.095 0.585 17838 5062 1 7 . 1 1 7 7 ILE H H 276 9.930 9.930 8.897 1.033 17838 5063 1 7 . 1 1 8 8 CYS N N 277 128.550 128.550 126.973 1.577 17838 5064 1 7 . 1 1 8 8 CYS HA H 277 4.560 4.560 5.084 -0.524 17838 5065 1 7 . 1 1 8 8 CYS C C 277 173.900 173.900 173.689 0.211 17838 5066 1 7 . 1 1 8 8 CYS CA C 277 56.340 56.340 56.783 -0.443 17838 5067 1 7 . 1 1 8 8 CYS CB C 277 25.930 25.930 27.252 -1.321 17838 5068 1 7 . 1 1 8 8 CYS H H 277 8.920 8.920 8.929 -0.009 17838 5069 1 7 . 1 1 9 9 PHE N N 278 121.320 121.320 125.720 -4.400 17838 5070 1 7 . 1 1 9 9 PHE HA H 278 5.330 5.330 5.251 0.079 17838 5071 1 7 . 1 1 9 9 PHE C C 278 173.180 173.180 174.022 -0.842 17838 5072 1 7 . 1 1 9 9 PHE CA C 278 54.720 54.720 54.594 0.126 17838 5073 1 7 . 1 1 9 9 PHE CB C 278 43.080 43.080 41.278 1.802 17838 5074 1 7 . 1 1 9 9 PHE H H 278 7.650 7.650 7.708 -0.058 17838 5075 1 7 . 1 1 10 10 SER N N 279 116.160 116.160 115.877 0.283 17838 5076 1 7 . 1 1 10 10 SER HA H 279 5.870 5.870 5.062 0.808 17838 5077 1 7 . 1 1 10 10 SER C C 279 172.820 172.820 173.684 -0.864 17838 5078 1 7 . 1 1 10 10 SER CA C 279 54.990 54.990 57.527 -2.537 17838 5079 1 7 . 1 1 10 10 SER CB C 279 66.260 66.260 64.386 1.874 17838 5080 1 7 . 1 1 10 10 SER H H 279 9.920 9.920 9.202 0.718 17838 5081 1 7 . 1 1 11 11 LEU N N 280 121.460 121.460 126.830 -5.370 17838 5082 1 7 . 1 1 11 11 LEU HA H 280 5.100 5.100 4.769 0.331 17838 5083 1 7 . 1 1 11 11 LEU C C 280 174.900 174.900 175.390 -0.490 17838 5084 1 7 . 1 1 11 11 LEU CA C 280 53.020 53.020 54.187 -1.167 17838 5085 1 7 . 1 1 11 11 LEU CB C 280 46.790 46.790 41.347 5.442 17838 5086 1 7 . 1 1 11 11 LEU H H 280 8.270 8.270 7.970 0.300 17838 5087 1 7 . 1 1 12 12 ARG N N 281 120.480 120.480 119.207 1.273 17838 5088 1 7 . 1 1 12 12 ARG HA H 281 4.740 4.740 4.495 0.245 17838 5089 1 7 . 1 1 12 12 ARG C C 281 173.410 173.410 173.281 0.129 17838 5090 1 7 . 1 1 12 12 ARG CA C 281 54.810 54.810 55.077 -0.267 17838 5091 1 7 . 1 1 12 12 ARG CB C 281 34.560 34.560 33.033 1.526 17838 5092 1 7 . 1 1 12 12 ARG H H 281 8.240 8.240 8.245 -0.005 17838 5093 1 7 . 1 1 13 13 TYR N N 282 127.490 127.490 120.680 6.810 17838 5094 1 7 . 1 1 13 13 TYR HA H 282 5.490 5.490 4.823 0.667 17838 5095 1 7 . 1 1 13 13 TYR C C 282 174.270 174.270 173.679 0.591 17838 5096 1 7 . 1 1 13 13 TYR CA C 282 56.410 56.410 56.391 0.019 17838 5097 1 7 . 1 1 13 13 TYR CB C 282 39.740 39.740 43.064 -3.324 17838 5098 1 7 . 1 1 13 13 TYR H H 282 9.370 9.370 8.688 0.682 17838 5099 1 7 . 1 1 14 14 VAL N N 283 127.660 127.660 125.014 2.646 17838 5100 1 7 . 1 1 14 14 VAL HA H 283 4.240 4.240 4.395 -0.155 17838 5101 1 7 . 1 1 14 14 VAL CA C 283 58.700 58.700 59.117 -0.417 17838 5102 1 7 . 1 1 14 14 VAL CB C 283 32.450 32.450 32.494 -0.044 17838 5103 1 7 . 1 1 14 14 VAL H H 283 7.480 7.480 7.781 -0.301 17838 5104 1 7 . 1 1 15 15 PRO HA H 284 3.780 3.780 4.348 -0.568 17838 5105 1 7 . 1 1 15 15 PRO C C 284 178.150 178.150 177.521 0.629 17838 5106 1 7 . 1 1 15 15 PRO CA C 284 65.540 65.540 64.402 1.138 17838 5107 1 7 . 1 1 15 15 PRO CB C 284 32.360 32.360 31.782 0.578 17838 5108 1 7 . 1 1 16 16 THR N N 285 109.040 109.040 112.488 -3.448 17838 5109 1 7 . 1 1 16 16 THR HA H 285 3.850 3.850 4.218 -0.368 17838 5110 1 7 . 1 1 16 16 THR C C 285 174.880 174.880 174.411 0.469 17838 5111 1 7 . 1 1 16 16 THR CA C 285 64.490 64.490 63.901 0.589 17838 5112 1 7 . 1 1 16 16 THR CB C 285 68.150 68.150 68.286 -0.136 17838 5113 1 7 . 1 1 16 16 THR H H 285 7.690 7.690 7.732 -0.042 17838 5114 1 7 . 1 1 17 17 ALA N N 286 119.760 119.760 122.200 -2.440 17838 5115 1 7 . 1 1 17 17 ALA HA H 286 4.380 4.380 4.554 -0.174 17838 5116 1 7 . 1 1 17 17 ALA C C 286 177.040 177.040 177.299 -0.259 17838 5117 1 7 . 1 1 17 17 ALA CA C 286 51.450 51.450 52.358 -0.908 17838 5118 1 7 . 1 1 17 17 ALA CB C 286 20.320 20.320 21.055 -0.735 17838 5119 1 7 . 1 1 17 17 ALA H H 286 6.520 6.520 7.305 -0.785 17838 5120 1 7 . 1 1 18 18 GLY N N 287 109.040 109.040 108.495 0.545 17838 5121 1 7 . 1 1 18 18 GLY C C 287 173.990 173.990 172.662 1.328 17838 5122 1 7 . 1 1 18 18 GLY CA C 287 47.150 47.150 44.962 2.188 17838 5123 1 7 . 1 1 18 18 GLY H H 287 7.690 7.690 8.298 -0.608 17838 5124 1 7 . 1 1 19 19 LYS N N 288 117.030 117.030 117.180 -0.150 17838 5125 1 7 . 1 1 19 19 LYS HA H 288 4.890 4.890 5.097 -0.207 17838 5126 1 7 . 1 1 19 19 LYS C C 288 173.910 173.910 174.529 -0.619 17838 5127 1 7 . 1 1 19 19 LYS CA C 288 55.100 55.100 54.421 0.679 17838 5128 1 7 . 1 1 19 19 LYS CB C 288 35.520 35.520 36.055 -0.535 17838 5129 1 7 . 1 1 19 19 LYS H H 288 6.630 6.630 6.989 -0.359 17838 5130 1 7 . 1 1 20 20 LEU N N 289 131.970 131.970 122.425 9.545 17838 5131 1 7 . 1 1 20 20 LEU HA H 289 5.480 5.480 4.490 0.990 17838 5132 1 7 . 1 1 20 20 LEU C C 289 174.750 174.750 177.043 -2.293 17838 5133 1 7 . 1 1 20 20 LEU CA C 289 53.620 53.620 56.103 -2.483 17838 5134 1 7 . 1 1 20 20 LEU CB C 289 45.840 45.840 43.121 2.719 17838 5135 1 7 . 1 1 20 20 LEU H H 289 9.260 9.260 9.019 0.241 17838 5136 1 7 . 1 1 21 21 THR N N 290 124.180 124.180 118.092 6.088 17838 5137 1 7 . 1 1 21 21 THR HA H 290 5.260 5.260 4.588 0.672 17838 5138 1 7 . 1 1 21 21 THR C C 290 173.650 173.650 173.755 -0.105 17838 5139 1 7 . 1 1 21 21 THR CA C 290 62.070 62.070 61.119 0.951 17838 5140 1 7 . 1 1 21 21 THR CB C 290 70.920 70.920 68.050 2.870 17838 5141 1 7 . 1 1 21 21 THR H H 290 9.770 9.770 8.432 1.338 17838 5142 1 7 . 1 1 22 22 VAL N N 291 129.970 129.970 124.983 4.987 17838 5143 1 7 . 1 1 22 22 VAL HA H 291 5.010 5.010 4.149 0.861 17838 5144 1 7 . 1 1 22 22 VAL C C 291 174.510 174.510 175.601 -1.091 17838 5145 1 7 . 1 1 22 22 VAL CA C 291 59.970 59.970 63.130 -3.160 17838 5146 1 7 . 1 1 22 22 VAL CB C 291 34.900 34.900 31.672 3.228 17838 5147 1 7 . 1 1 22 22 VAL H H 291 9.510 9.510 8.060 1.450 17838 5148 1 7 . 1 1 23 23 VAL N N 292 125.670 125.670 125.981 -0.311 17838 5149 1 7 . 1 1 23 23 VAL HA H 292 4.830 4.830 5.306 -0.476 17838 5150 1 7 . 1 1 23 23 VAL C C 292 177.610 177.610 175.669 1.941 17838 5151 1 7 . 1 1 23 23 VAL CA C 292 60.370 60.370 59.971 0.399 17838 5152 1 7 . 1 1 23 23 VAL CB C 292 32.230 32.230 32.623 -0.393 17838 5153 1 7 . 1 1 23 23 VAL H H 292 8.650 8.650 8.700 -0.050 17838 5154 1 7 . 1 1 24 24 ILE N N 293 125.630 125.630 128.276 -2.646 17838 5155 1 7 . 1 1 24 24 ILE HA H 293 4.010 4.010 4.362 -0.352 17838 5156 1 7 . 1 1 24 24 ILE C C 293 175.140 175.140 175.701 -0.561 17838 5157 1 7 . 1 1 24 24 ILE CA C 293 58.560 58.560 61.598 -3.038 17838 5158 1 7 . 1 1 24 24 ILE CB C 293 34.580 34.580 38.122 -3.542 17838 5159 1 7 . 1 1 24 24 ILE H H 293 9.100 9.100 8.713 0.387 17838 5160 1 7 . 1 1 25 25 LEU N N 294 130.570 130.570 129.096 1.474 17838 5161 1 7 . 1 1 25 25 LEU HA H 294 4.110 4.110 4.452 -0.342 17838 5162 1 7 . 1 1 25 25 LEU C C 294 175.250 175.250 176.919 -1.669 17838 5163 1 7 . 1 1 25 25 LEU CA C 294 58.210 58.210 56.535 1.675 17838 5164 1 7 . 1 1 25 25 LEU CB C 294 41.470 41.470 42.651 -1.181 17838 5165 1 7 . 1 1 25 25 LEU H H 294 8.260 8.260 8.451 -0.191 17838 5166 1 7 . 1 1 26 26 GLU N N 295 111.970 111.970 113.032 -1.062 17838 5167 1 7 . 1 1 26 26 GLU HA H 295 5.050 5.050 5.482 -0.432 17838 5168 1 7 . 1 1 26 26 GLU C C 295 172.250 172.250 174.647 -2.397 17838 5169 1 7 . 1 1 26 26 GLU CA C 295 54.970 54.970 54.611 0.359 17838 5170 1 7 . 1 1 26 26 GLU CB C 295 32.990 32.990 33.430 -0.440 17838 5171 1 7 . 1 1 26 26 GLU H H 295 7.490 7.490 7.830 -0.340 17838 5172 1 7 . 1 1 27 27 ALA N N 296 121.530 121.530 120.461 1.069 17838 5173 1 7 . 1 1 27 27 ALA HA H 296 5.550 5.550 4.661 0.889 17838 5174 1 7 . 1 1 27 27 ALA C C 296 174.560 174.560 175.184 -0.624 17838 5175 1 7 . 1 1 27 27 ALA CA C 296 50.780 50.780 51.944 -1.164 17838 5176 1 7 . 1 1 27 27 ALA CB C 296 22.690 22.690 22.487 0.203 17838 5177 1 7 . 1 1 27 27 ALA H H 296 9.170 9.170 7.934 1.236 17838 5178 1 7 . 1 1 28 28 LYS N N 297 116.690 116.690 122.333 -5.643 17838 5179 1 7 . 1 1 28 28 LYS HA H 297 5.380 5.380 4.724 0.656 17838 5180 1 7 . 1 1 28 28 LYS C C 297 174.200 174.200 175.433 -1.233 17838 5181 1 7 . 1 1 28 28 LYS CA C 297 54.970 54.970 55.114 -0.144 17838 5182 1 7 . 1 1 28 28 LYS CB C 297 37.660 37.660 31.209 6.451 17838 5183 1 7 . 1 1 28 28 LYS H H 297 9.190 9.190 8.702 0.488 17838 5184 1 7 . 1 1 29 29 ASN N N 298 115.540 115.540 115.956 -0.416 17838 5185 1 7 . 1 1 29 29 ASN HA H 298 4.150 4.150 4.738 -0.588 17838 5186 1 7 . 1 1 29 29 ASN C C 298 173.850 173.850 175.335 -1.485 17838 5187 1 7 . 1 1 29 29 ASN CA C 298 53.600 53.600 53.501 0.099 17838 5188 1 7 . 1 1 29 29 ASN CB C 298 37.000 37.000 40.365 -3.365 17838 5189 1 7 . 1 1 29 29 ASN H H 298 8.640 8.640 8.097 0.543 17838 5190 1 7 . 1 1 30 30 LEU N N 299 114.360 114.360 123.716 -9.356 17838 5191 1 7 . 1 1 30 30 LEU HA H 299 4.500 4.500 4.553 -0.053 17838 5192 1 7 . 1 1 30 30 LEU C C 299 174.750 174.750 175.508 -0.758 17838 5193 1 7 . 1 1 30 30 LEU CA C 299 55.010 55.010 53.742 1.268 17838 5194 1 7 . 1 1 30 30 LEU CB C 299 42.820 42.820 40.005 2.815 17838 5195 1 7 . 1 1 30 30 LEU H H 299 8.210 8.210 7.747 0.463 17838 5196 1 7 . 1 1 31 31 LYS N N 300 119.660 119.660 123.440 -3.780 17838 5197 1 7 . 1 1 31 31 LYS HA H 300 3.900 3.900 4.232 -0.332 17838 5198 1 7 . 1 1 31 31 LYS C C 300 175.130 175.130 176.143 -1.013 17838 5199 1 7 . 1 1 31 31 LYS CA C 300 56.630 56.630 56.165 0.465 17838 5200 1 7 . 1 1 31 31 LYS CB C 300 35.060 35.060 33.931 1.129 17838 5201 1 7 . 1 1 31 31 LYS H H 300 6.830 6.830 7.711 -0.881 17838 5202 1 7 . 1 1 32 32 LYS N N 301 124.550 124.550 123.469 1.081 17838 5203 1 7 . 1 1 32 32 LYS HA H 301 3.760 3.760 4.161 -0.401 17838 5204 1 7 . 1 1 32 32 LYS C C 301 175.590 175.590 176.890 -1.300 17838 5205 1 7 . 1 1 32 32 LYS CA C 301 56.900 56.900 57.566 -0.665 17838 5206 1 7 . 1 1 32 32 LYS CB C 301 32.990 32.990 31.457 1.533 17838 5207 1 7 . 1 1 32 32 LYS H H 301 8.060 8.060 8.557 -0.497 17838 5208 1 7 . 1 1 33 33 MET N N 302 122.790 122.790 119.340 3.450 17838 5209 1 7 . 1 1 33 33 MET HA H 302 4.720 4.720 4.501 0.219 17838 5210 1 7 . 1 1 33 33 MET C C 302 176.510 176.510 175.781 0.729 17838 5211 1 7 . 1 1 33 33 MET CA C 302 53.860 53.860 55.650 -1.790 17838 5212 1 7 . 1 1 33 33 MET CB C 302 32.590 32.590 33.108 -0.518 17838 5213 1 7 . 1 1 33 33 MET H H 302 7.970 7.970 8.037 -0.067 17838 5214 1 7 . 1 1 34 34 ASP N N 303 124.630 124.630 120.675 3.955 17838 5215 1 7 . 1 1 34 34 ASP HA H 303 5.030 5.030 4.808 0.222 17838 5216 1 7 . 1 1 34 34 ASP CA C 303 52.810 52.810 52.753 0.057 17838 5217 1 7 . 1 1 34 34 ASP CB C 303 41.950 41.950 43.367 -1.417 17838 5218 1 7 . 1 1 34 34 ASP H H 303 8.080 8.080 7.907 0.173 17838 5219 1 7 . 1 1 35 35 VAL N N 304 125.910 125.910 126.155 -0.245 17838 5220 1 7 . 1 1 35 35 VAL HA H 304 3.690 3.690 3.915 -0.225 17838 5221 1 7 . 1 1 35 35 VAL C C 304 176.820 176.820 176.818 0.002 17838 5222 1 7 . 1 1 35 35 VAL CA C 304 64.750 64.750 63.426 1.324 17838 5223 1 7 . 1 1 35 35 VAL CB C 304 31.120 31.120 31.112 0.008 17838 5224 1 7 . 1 1 35 35 VAL H H 304 8.760 8.760 8.694 0.066 17838 5225 1 7 . 1 1 36 36 GLY N N 305 115.560 115.560 115.252 0.308 17838 5226 1 7 . 1 1 36 36 GLY C C 305 174.160 174.160 174.144 0.016 17838 5227 1 7 . 1 1 36 36 GLY CA C 305 45.740 45.740 45.168 0.572 17838 5228 1 7 . 1 1 36 36 GLY H H 305 8.830 8.830 8.410 0.420 17838 5229 1 7 . 1 1 37 37 GLY N N 306 109.040 109.040 107.306 1.734 17838 5230 1 7 . 1 1 37 37 GLY C C 306 173.030 173.030 172.488 0.542 17838 5231 1 7 . 1 1 37 37 GLY CA C 306 45.040 45.040 44.703 0.337 17838 5232 1 7 . 1 1 37 37 GLY H H 306 7.690 7.690 7.804 -0.114 17838 5233 1 7 . 1 1 38 38 LEU N N 307 124.610 124.610 119.728 4.882 17838 5234 1 7 . 1 1 38 38 LEU HA H 307 4.580 4.580 4.726 -0.146 17838 5235 1 7 . 1 1 38 38 LEU CA C 307 53.470 53.470 53.973 -0.503 17838 5236 1 7 . 1 1 38 38 LEU CB C 307 42.060 42.060 46.158 -4.098 17838 5237 1 7 . 1 1 38 38 LEU H H 307 8.410 8.410 8.476 -0.066 17838 5238 1 7 . 1 1 39 39 SER N N 308 115.270 115.270 114.336 0.934 17838 5239 1 7 . 1 1 39 39 SER HA H 308 4.490 4.490 4.515 -0.025 17838 5240 1 7 . 1 1 39 39 SER CA C 308 57.250 57.250 58.003 -0.753 17838 5241 1 7 . 1 1 39 39 SER CB C 308 68.290 68.290 65.050 3.240 17838 5242 1 7 . 1 1 39 39 SER H H 308 7.080 7.080 8.440 -1.360 17838 5243 1 7 . 1 1 40 40 ASP N N 309 121.280 121.280 121.358 -0.078 17838 5244 1 7 . 1 1 40 40 ASP HA H 309 5.880 5.880 5.311 0.569 17838 5245 1 7 . 1 1 40 40 ASP CA C 309 52.000 52.000 51.762 0.238 17838 5246 1 7 . 1 1 40 40 ASP CB C 309 42.350 42.350 42.398 -0.048 17838 5247 1 7 . 1 1 40 40 ASP H H 309 9.270 9.270 9.195 0.075 17838 5248 1 7 . 1 1 41 41 PRO HA H 310 5.680 5.680 4.724 0.956 17838 5249 1 7 . 1 1 41 41 PRO C C 310 179.050 179.050 175.943 3.107 17838 5250 1 7 . 1 1 41 41 PRO CA C 310 62.970 62.970 62.581 0.389 17838 5251 1 7 . 1 1 41 41 PRO CB C 310 32.940 32.940 32.757 0.183 17838 5252 1 7 . 1 1 42 42 TYR N N 311 122.860 122.860 120.436 2.424 17838 5253 1 7 . 1 1 42 42 TYR HA H 311 4.740 4.740 4.616 0.124 17838 5254 1 7 . 1 1 42 42 TYR C C 311 170.780 170.780 173.314 -2.534 17838 5255 1 7 . 1 1 42 42 TYR CA C 311 55.640 55.640 57.999 -2.359 17838 5256 1 7 . 1 1 42 42 TYR CB C 311 41.950 41.950 41.275 0.675 17838 5257 1 7 . 1 1 42 42 TYR H H 311 9.130 9.130 8.479 0.651 17838 5258 1 7 . 1 1 43 43 VAL N N 312 120.460 120.460 122.937 -2.477 17838 5259 1 7 . 1 1 43 43 VAL HA H 312 4.840 4.840 4.904 -0.064 17838 5260 1 7 . 1 1 43 43 VAL C C 312 174.430 174.430 173.716 0.714 17838 5261 1 7 . 1 1 43 43 VAL CA C 312 60.110 60.110 59.507 0.603 17838 5262 1 7 . 1 1 43 43 VAL CB C 312 33.430 33.430 35.571 -2.141 17838 5263 1 7 . 1 1 43 43 VAL H H 312 8.570 8.570 7.957 0.613 17838 5264 1 7 . 1 1 44 44 LYS N N 313 125.500 125.500 117.476 8.024 17838 5265 1 7 . 1 1 44 44 LYS HA H 313 4.840 4.840 4.617 0.223 17838 5266 1 7 . 1 1 44 44 LYS C C 313 174.300 174.300 174.964 -0.664 17838 5267 1 7 . 1 1 44 44 LYS CA C 313 54.680 54.680 54.685 -0.006 17838 5268 1 7 . 1 1 44 44 LYS CB C 313 36.140 36.140 36.136 0.004 17838 5269 1 7 . 1 1 44 44 LYS H H 313 9.050 9.050 8.556 0.494 17838 5270 1 7 . 1 1 45 45 ILE N N 314 123.760 123.760 121.565 2.195 17838 5271 1 7 . 1 1 45 45 ILE HA H 314 4.780 4.780 4.530 0.250 17838 5272 1 7 . 1 1 45 45 ILE C C 314 174.700 174.700 174.013 0.687 17838 5273 1 7 . 1 1 45 45 ILE CA C 314 60.050 60.050 59.793 0.257 17838 5274 1 7 . 1 1 45 45 ILE CB C 314 41.800 41.800 41.485 0.315 17838 5275 1 7 . 1 1 45 45 ILE H H 314 8.770 8.770 8.861 -0.091 17838 5276 1 7 . 1 1 46 46 HIS N N 315 122.820 122.820 124.223 -1.403 17838 5277 1 7 . 1 1 46 46 HIS HA H 315 5.340 5.340 5.022 0.318 17838 5278 1 7 . 1 1 46 46 HIS C C 315 173.540 173.540 174.111 -0.571 17838 5279 1 7 . 1 1 46 46 HIS CA C 315 54.590 54.590 54.759 -0.169 17838 5280 1 7 . 1 1 46 46 HIS CB C 315 34.280 34.280 33.153 1.127 17838 5281 1 7 . 1 1 46 46 HIS H H 315 9.070 9.070 9.099 -0.029 17838 5282 1 7 . 1 1 47 47 LEU N N 316 124.780 124.780 118.379 6.401 17838 5283 1 7 . 1 1 47 47 LEU HA H 316 4.760 4.760 5.214 -0.454 17838 5284 1 7 . 1 1 47 47 LEU C C 316 174.720 174.720 175.064 -0.344 17838 5285 1 7 . 1 1 47 47 LEU CA C 316 53.480 53.480 53.808 -0.328 17838 5286 1 7 . 1 1 47 47 LEU CB C 316 44.010 44.010 44.269 -0.259 17838 5287 1 7 . 1 1 47 47 LEU H H 316 8.350 8.350 8.530 -0.180 17838 5288 1 7 . 1 1 48 48 MET N N 317 125.550 125.550 121.254 4.296 17838 5289 1 7 . 1 1 48 48 MET HA H 317 5.360 5.360 5.035 0.325 17838 5290 1 7 . 1 1 48 48 MET C C 317 174.720 174.720 175.348 -0.628 17838 5291 1 7 . 1 1 48 48 MET CA C 317 53.490 53.490 54.801 -1.311 17838 5292 1 7 . 1 1 48 48 MET CB C 317 35.800 35.800 34.503 1.297 17838 5293 1 7 . 1 1 48 48 MET H H 317 9.240 9.240 8.924 0.316 17838 5294 1 7 . 1 1 49 49 GLN N N 318 118.130 118.130 124.474 -6.344 17838 5295 1 7 . 1 1 49 49 GLN HA H 318 4.350 4.350 4.470 -0.120 17838 5296 1 7 . 1 1 49 49 GLN C C 318 175.850 175.850 176.175 -0.325 17838 5297 1 7 . 1 1 49 49 GLN CA C 318 56.330 56.330 55.687 0.643 17838 5298 1 7 . 1 1 49 49 GLN CB C 318 32.240 32.240 30.241 1.999 17838 5299 1 7 . 1 1 49 49 GLN H H 318 8.510 8.510 8.322 0.188 17838 5300 1 7 . 1 1 50 50 ASN N N 319 127.590 127.590 124.950 2.640 17838 5301 1 7 . 1 1 50 50 ASN HA H 319 4.250 4.250 4.306 -0.056 17838 5302 1 7 . 1 1 50 50 ASN C C 319 174.650 174.650 174.857 -0.207 17838 5303 1 7 . 1 1 50 50 ASN CA C 319 54.180 54.180 54.081 0.099 17838 5304 1 7 . 1 1 50 50 ASN CB C 319 37.640 37.640 38.303 -0.663 17838 5305 1 7 . 1 1 50 50 ASN H H 319 9.430 9.430 9.452 -0.022 17838 5306 1 7 . 1 1 51 51 GLY N N 320 104.030 104.030 103.242 0.788 17838 5307 1 7 . 1 1 51 51 GLY C C 320 173.160 173.160 173.806 -0.646 17838 5308 1 7 . 1 1 51 51 GLY CA C 320 45.480 45.480 45.433 0.047 17838 5309 1 7 . 1 1 51 51 GLY H H 320 8.950 8.950 7.878 1.072 17838 5310 1 7 . 1 1 52 52 LYS N N 321 120.220 120.220 122.056 -1.836 17838 5311 1 7 . 1 1 52 52 LYS HA H 321 4.400 4.400 4.604 -0.204 17838 5312 1 7 . 1 1 52 52 LYS C C 321 175.370 175.370 175.518 -0.148 17838 5313 1 7 . 1 1 52 52 LYS CA C 321 54.340 54.340 54.516 -0.175 17838 5314 1 7 . 1 1 52 52 LYS CB C 321 34.230 34.230 34.169 0.061 17838 5315 1 7 . 1 1 52 52 LYS H H 321 7.650 7.650 7.731 -0.081 17838 5316 1 7 . 1 1 53 53 ARG N N 322 123.540 123.540 124.973 -1.433 17838 5317 1 7 . 1 1 53 53 ARG HA H 322 4.410 4.410 4.406 0.004 17838 5318 1 7 . 1 1 53 53 ARG C C 322 175.650 175.650 175.854 -0.204 17838 5319 1 7 . 1 1 53 53 ARG CA C 322 56.620 56.620 56.969 -0.349 17838 5320 1 7 . 1 1 53 53 ARG CB C 322 29.960 29.960 29.621 0.339 17838 5321 1 7 . 1 1 53 53 ARG H H 322 8.700 8.700 8.762 -0.062 17838 5322 1 7 . 1 1 54 54 LEU N N 323 127.220 127.220 126.584 0.636 17838 5323 1 7 . 1 1 54 54 LEU HA H 323 4.350 4.350 4.428 -0.078 17838 5324 1 7 . 1 1 54 54 LEU C C 323 177.380 177.380 176.451 0.929 17838 5325 1 7 . 1 1 54 54 LEU CA C 323 56.230 56.230 56.355 -0.125 17838 5326 1 7 . 1 1 54 54 LEU CB C 323 42.950 42.950 43.628 -0.678 17838 5327 1 7 . 1 1 54 54 LEU H H 323 9.270 9.270 8.580 0.690 17838 5328 1 7 . 1 1 55 55 LYS N N 324 115.210 115.210 117.030 -1.820 17838 5329 1 7 . 1 1 55 55 LYS HA H 324 4.670 4.670 4.675 -0.005 17838 5330 1 7 . 1 1 55 55 LYS C C 324 174.480 174.480 174.174 0.306 17838 5331 1 7 . 1 1 55 55 LYS CA C 324 54.460 54.460 55.218 -0.757 17838 5332 1 7 . 1 1 55 55 LYS CB C 324 37.580 37.580 37.016 0.564 17838 5333 1 7 . 1 1 55 55 LYS H H 324 7.410 7.410 7.494 -0.084 17838 5334 1 7 . 1 1 56 56 LYS N N 325 122.420 122.420 119.993 2.427 17838 5335 1 7 . 1 1 56 56 LYS HA H 325 5.320 5.320 4.858 0.462 17838 5336 1 7 . 1 1 56 56 LYS C C 325 174.700 174.700 175.686 -0.986 17838 5337 1 7 . 1 1 56 56 LYS CA C 325 54.970 54.970 54.938 0.032 17838 5338 1 7 . 1 1 56 56 LYS CB C 325 35.730 35.730 35.081 0.649 17838 5339 1 7 . 1 1 56 56 LYS H H 325 8.470 8.470 8.329 0.141 17838 5340 1 7 . 1 1 57 57 LYS N N 326 122.740 122.740 124.118 -1.378 17838 5341 1 7 . 1 1 57 57 LYS HA H 326 4.630 4.630 4.697 -0.067 17838 5342 1 7 . 1 1 57 57 LYS C C 326 174.330 174.330 175.171 -0.841 17838 5343 1 7 . 1 1 57 57 LYS CA C 326 53.560 53.560 56.105 -2.545 17838 5344 1 7 . 1 1 57 57 LYS CB C 326 37.960 37.960 35.797 2.163 17838 5345 1 7 . 1 1 57 57 LYS H H 326 8.850 8.850 9.128 -0.278 17838 5346 1 7 . 1 1 58 58 LYS N N 327 118.070 118.070 124.347 -6.277 17838 5347 1 7 . 1 1 58 58 LYS HA H 327 5.380 5.380 4.423 0.957 17838 5348 1 7 . 1 1 58 58 LYS C C 327 174.810 174.810 176.206 -1.396 17838 5349 1 7 . 1 1 58 58 LYS CA C 327 55.120 55.120 55.569 -0.449 17838 5350 1 7 . 1 1 58 58 LYS CB C 327 36.900 36.900 33.718 3.182 17838 5351 1 7 . 1 1 58 58 LYS H H 327 8.310 8.310 8.556 -0.246 17838 5352 1 7 . 1 1 59 59 THR N N 328 110.590 110.590 115.207 -4.617 17838 5353 1 7 . 1 1 59 59 THR HA H 328 4.850 4.850 4.825 0.025 17838 5354 1 7 . 1 1 59 59 THR C C 328 175.550 175.550 173.544 2.006 17838 5355 1 7 . 1 1 59 59 THR CA C 328 60.950 60.950 60.231 0.719 17838 5356 1 7 . 1 1 59 59 THR CB C 328 73.290 73.290 71.191 2.099 17838 5357 1 7 . 1 1 59 59 THR H H 328 8.650 8.650 7.835 0.815 17838 5358 1 7 . 1 1 60 60 THR N N 329 109.520 109.520 121.508 -11.988 17838 5359 1 7 . 1 1 60 60 THR HA H 329 4.120 4.120 4.510 -0.390 17838 5360 1 7 . 1 1 60 60 THR C C 329 173.570 173.570 172.894 0.676 17838 5361 1 7 . 1 1 60 60 THR CA C 329 62.710 62.710 62.172 0.538 17838 5362 1 7 . 1 1 60 60 THR CB C 329 70.920 70.920 69.434 1.486 17838 5363 1 7 . 1 1 60 60 THR H H 329 9.420 9.420 9.033 0.387 17838 5364 1 7 . 1 1 61 61 ILE N N 330 119.070 119.070 124.695 -5.625 17838 5365 1 7 . 1 1 61 61 ILE HA H 330 4.230 4.230 3.957 0.273 17838 5366 1 7 . 1 1 61 61 ILE C C 330 177.050 177.050 175.087 1.963 17838 5367 1 7 . 1 1 61 61 ILE CA C 330 61.060 61.060 59.662 1.398 17838 5368 1 7 . 1 1 61 61 ILE CB C 330 40.200 40.200 41.057 -0.857 17838 5369 1 7 . 1 1 61 61 ILE H H 330 8.060 8.060 8.396 -0.336 17838 5370 1 7 . 1 1 62 62 LYS N N 331 127.440 127.440 126.981 0.459 17838 5371 1 7 . 1 1 62 62 LYS HA H 331 4.620 4.620 4.461 0.159 17838 5372 1 7 . 1 1 62 62 LYS C C 331 174.080 174.080 176.510 -2.430 17838 5373 1 7 . 1 1 62 62 LYS CA C 331 52.170 52.170 56.077 -3.907 17838 5374 1 7 . 1 1 62 62 LYS CB C 331 31.610 31.610 33.025 -1.415 17838 5375 1 7 . 1 1 62 62 LYS H H 331 7.970 7.970 8.655 -0.685 17838 5376 1 7 . 1 1 63 63 LYS N N 332 118.220 118.220 123.249 -5.029 17838 5377 1 7 . 1 1 63 63 LYS HA H 332 4.630 4.630 4.176 0.454 17838 5378 1 7 . 1 1 63 63 LYS C C 332 177.270 177.270 177.354 -0.084 17838 5379 1 7 . 1 1 63 63 LYS CA C 332 55.310 55.310 57.104 -1.794 17838 5380 1 7 . 1 1 63 63 LYS CB C 332 33.550 33.550 32.823 0.727 17838 5381 1 7 . 1 1 63 63 LYS H H 332 8.000 8.000 8.687 -0.687 17838 5382 1 7 . 1 1 64 64 ASN N N 333 122.920 122.920 117.315 5.605 17838 5383 1 7 . 1 1 64 64 ASN HA H 333 4.250 4.250 4.494 -0.244 17838 5384 1 7 . 1 1 64 64 ASN C C 333 173.470 173.470 173.693 -0.223 17838 5385 1 7 . 1 1 64 64 ASN CA C 333 54.030 54.030 54.486 -0.456 17838 5386 1 7 . 1 1 64 64 ASN CB C 333 37.910 37.910 37.385 0.525 17838 5387 1 7 . 1 1 64 64 ASN H H 333 9.710 9.710 9.255 0.455 17838 5388 1 7 . 1 1 65 65 THR N N 334 112.090 112.090 107.479 4.611 17838 5389 1 7 . 1 1 65 65 THR HA H 334 4.600 4.600 4.726 -0.126 17838 5390 1 7 . 1 1 65 65 THR C C 334 170.000 170.000 173.817 -3.817 17838 5391 1 7 . 1 1 65 65 THR CA C 334 60.580 60.580 60.191 0.389 17838 5392 1 7 . 1 1 65 65 THR CB C 334 68.600 68.600 72.138 -3.538 17838 5393 1 7 . 1 1 65 65 THR H H 334 8.630 8.630 7.778 0.852 17838 5394 1 7 . 1 1 66 66 LEU N N 335 121.880 121.880 119.949 1.931 17838 5395 1 7 . 1 1 66 66 LEU HA H 335 4.500 4.500 4.864 -0.364 17838 5396 1 7 . 1 1 66 66 LEU C C 335 173.970 173.970 176.355 -2.385 17838 5397 1 7 . 1 1 66 66 LEU CA C 335 52.790 52.790 55.019 -2.229 17838 5398 1 7 . 1 1 66 66 LEU CB C 335 40.560 40.560 42.974 -2.413 17838 5399 1 7 . 1 1 66 66 LEU H H 335 8.530 8.530 8.497 0.033 17838 5400 1 7 . 1 1 67 67 ASN N N 336 115.420 115.420 117.685 -2.265 17838 5401 1 7 . 1 1 67 67 ASN HA H 336 5.500 5.500 5.450 0.050 17838 5402 1 7 . 1 1 67 67 ASN CA C 336 51.190 51.190 49.695 1.495 17838 5403 1 7 . 1 1 67 67 ASN CB C 336 41.620 41.620 40.033 1.587 17838 5404 1 7 . 1 1 67 67 ASN H H 336 8.540 8.540 7.974 0.566 17838 5405 1 7 . 1 1 68 68 PRO HA H 337 4.170 4.170 4.374 -0.204 17838 5406 1 7 . 1 1 68 68 PRO C C 337 173.480 173.480 175.047 -1.567 17838 5407 1 7 . 1 1 68 68 PRO CA C 337 62.710 62.710 63.587 -0.876 17838 5408 1 7 . 1 1 68 68 PRO CB C 337 32.610 32.610 31.184 1.425 17838 5409 1 7 . 1 1 69 69 TYR N N 338 120.550 120.550 126.117 -5.567 17838 5410 1 7 . 1 1 69 69 TYR HA H 338 4.470 4.470 5.079 -0.609 17838 5411 1 7 . 1 1 69 69 TYR C C 338 174.390 174.390 173.567 0.823 17838 5412 1 7 . 1 1 69 69 TYR CA C 338 57.740 57.740 56.706 1.034 17838 5413 1 7 . 1 1 69 69 TYR CB C 338 40.530 40.530 41.716 -1.186 17838 5414 1 7 . 1 1 69 69 TYR H H 338 8.060 8.060 8.097 -0.037 17838 5415 1 7 . 1 1 70 70 TYR N N 339 122.140 122.140 127.508 -5.368 17838 5416 1 7 . 1 1 70 70 TYR HA H 339 4.400 4.400 4.124 0.276 17838 5417 1 7 . 1 1 70 70 TYR C C 339 175.190 175.190 173.960 1.230 17838 5418 1 7 . 1 1 70 70 TYR CA C 339 59.040 59.040 58.734 0.306 17838 5419 1 7 . 1 1 70 70 TYR CB C 339 40.290 40.290 42.023 -1.733 17838 5420 1 7 . 1 1 70 70 TYR H H 339 8.080 8.080 8.082 -0.002 17838 5421 1 7 . 1 1 71 71 ASN N N 340 120.260 120.260 119.533 0.727 17838 5422 1 7 . 1 1 71 71 ASN HA H 340 4.080 4.080 4.724 -0.644 17838 5423 1 7 . 1 1 71 71 ASN C C 340 173.510 173.510 173.806 -0.296 17838 5424 1 7 . 1 1 71 71 ASN CA C 340 53.960 53.960 54.090 -0.130 17838 5425 1 7 . 1 1 71 71 ASN CB C 340 37.450 37.450 37.794 -0.344 17838 5426 1 7 . 1 1 71 71 ASN H H 340 8.130 8.130 8.138 -0.008 17838 5427 1 7 . 1 1 72 72 GLU N N 341 117.370 117.370 123.931 -6.561 17838 5428 1 7 . 1 1 72 72 GLU HA H 341 4.300 4.300 4.644 -0.344 17838 5429 1 7 . 1 1 72 72 GLU C C 341 173.000 173.000 174.847 -1.847 17838 5430 1 7 . 1 1 72 72 GLU CA C 341 55.470 55.470 55.034 0.436 17838 5431 1 7 . 1 1 72 72 GLU CB C 341 33.320 33.320 34.877 -1.558 17838 5432 1 7 . 1 1 72 72 GLU H H 341 7.530 7.530 8.062 -0.532 17838 5433 1 7 . 1 1 73 73 SER N N 342 117.330 117.330 116.586 0.744 17838 5434 1 7 . 1 1 73 73 SER HA H 342 4.740 4.740 5.175 -0.435 17838 5435 1 7 . 1 1 73 73 SER C C 342 172.930 172.930 174.211 -1.281 17838 5436 1 7 . 1 1 73 73 SER CA C 342 56.810 56.810 57.630 -0.820 17838 5437 1 7 . 1 1 73 73 SER CB C 342 64.720 64.720 64.294 0.426 17838 5438 1 7 . 1 1 73 73 SER H H 342 8.010 8.010 8.589 -0.579 17838 5439 1 7 . 1 1 74 74 PHE N N 343 123.520 123.520 126.637 -3.117 17838 5440 1 7 . 1 1 74 74 PHE HA H 343 4.480 4.480 4.717 -0.237 17838 5441 1 7 . 1 1 74 74 PHE C C 343 173.480 173.480 175.466 -1.986 17838 5442 1 7 . 1 1 74 74 PHE CA C 343 57.280 57.280 56.745 0.535 17838 5443 1 7 . 1 1 74 74 PHE CB C 343 43.130 43.130 37.906 5.224 17838 5444 1 7 . 1 1 74 74 PHE H H 343 8.780 8.780 9.098 -0.318 17838 5445 1 7 . 1 1 75 75 SER N N 344 116.700 116.700 118.905 -2.205 17838 5446 1 7 . 1 1 75 75 SER HA H 344 5.480 5.480 5.189 0.291 17838 5447 1 7 . 1 1 75 75 SER C C 344 172.170 172.170 174.186 -2.016 17838 5448 1 7 . 1 1 75 75 SER CA C 344 57.210 57.210 58.681 -1.471 17838 5449 1 7 . 1 1 75 75 SER CB C 344 66.140 66.140 64.112 2.028 17838 5450 1 7 . 1 1 75 75 SER H H 344 8.430 8.430 8.191 0.239 17838 5451 1 7 . 1 1 76 76 PHE N N 345 119.990 119.990 121.569 -1.579 17838 5452 1 7 . 1 1 76 76 PHE HA H 345 4.800 4.800 4.620 0.180 17838 5453 1 7 . 1 1 76 76 PHE C C 345 173.440 173.440 173.297 0.143 17838 5454 1 7 . 1 1 76 76 PHE CA C 345 56.080 56.080 56.688 -0.608 17838 5455 1 7 . 1 1 76 76 PHE CB C 345 43.520 43.520 42.355 1.165 17838 5456 1 7 . 1 1 76 76 PHE H H 345 9.440 9.440 8.243 1.197 17838 5457 1 7 . 1 1 77 77 GLU N N 346 124.120 124.120 129.391 -5.271 17838 5458 1 7 . 1 1 77 77 GLU HA H 346 4.890 4.890 4.507 0.383 17838 5459 1 7 . 1 1 77 77 GLU C C 346 175.510 175.510 175.050 0.460 17838 5460 1 7 . 1 1 77 77 GLU CA C 346 55.880 55.880 55.329 0.551 17838 5461 1 7 . 1 1 77 77 GLU CB C 346 29.220 29.220 28.830 0.390 17838 5462 1 7 . 1 1 77 77 GLU H H 346 9.000 9.000 8.663 0.337 17838 5463 1 7 . 1 1 78 78 VAL N N 347 125.140 125.140 118.863 6.277 17838 5464 1 7 . 1 1 78 78 VAL HA H 347 4.390 4.390 4.461 -0.071 17838 5465 1 7 . 1 1 78 78 VAL CA C 347 59.350 59.350 58.118 1.232 17838 5466 1 7 . 1 1 78 78 VAL CB C 347 35.710 35.710 33.855 1.855 17838 5467 1 7 . 1 1 78 78 VAL H H 347 8.470 8.470 7.550 0.920 17838 5468 1 7 . 1 1 79 79 PRO HA H 348 4.550 4.550 4.744 -0.194 17838 5469 1 7 . 1 1 79 79 PRO C C 348 177.330 177.330 178.097 -0.767 17838 5470 1 7 . 1 1 79 79 PRO CA C 348 62.850 62.850 62.989 -0.139 17838 5471 1 7 . 1 1 79 79 PRO CB C 348 32.870 32.870 31.973 0.897 17838 5472 1 7 . 1 1 80 80 PHE N N 349 125.590 125.590 119.655 5.935 17838 5473 1 7 . 1 1 80 80 PHE HA H 349 4.610 4.610 3.887 0.723 17838 5474 1 7 . 1 1 80 80 PHE C C 349 177.630 177.630 175.844 1.786 17838 5475 1 7 . 1 1 80 80 PHE CA C 349 61.050 61.050 60.271 0.779 17838 5476 1 7 . 1 1 80 80 PHE CB C 349 38.960 38.960 38.133 0.827 17838 5477 1 7 . 1 1 80 80 PHE H H 349 9.250 9.250 8.864 0.386 17838 5478 1 7 . 1 1 81 81 GLU N N 350 116.260 116.260 115.669 0.591 17838 5479 1 7 . 1 1 81 81 GLU HA H 350 3.870 3.870 3.817 0.053 17838 5480 1 7 . 1 1 81 81 GLU C C 350 176.960 176.960 176.647 0.313 17838 5481 1 7 . 1 1 81 81 GLU CA C 350 58.870 58.870 56.650 2.220 17838 5482 1 7 . 1 1 81 81 GLU CB C 350 28.590 28.590 28.307 0.283 17838 5483 1 7 . 1 1 81 81 GLU H H 350 9.120 9.120 7.613 1.507 17838 5484 1 7 . 1 1 82 82 GLN N N 351 116.390 116.390 118.755 -2.365 17838 5485 1 7 . 1 1 82 82 GLN HA H 351 4.300 4.300 4.281 0.019 17838 5486 1 7 . 1 1 82 82 GLN C C 351 177.670 177.670 177.850 -0.180 17838 5487 1 7 . 1 1 82 82 GLN CA C 351 55.020 55.020 57.109 -2.089 17838 5488 1 7 . 1 1 82 82 GLN CB C 351 30.360 30.360 29.601 0.759 17838 5489 1 7 . 1 1 82 82 GLN H H 351 8.080 8.080 7.697 0.383 17838 5490 1 7 . 1 1 83 83 ILE N N 352 120.350 120.350 121.500 -1.150 17838 5491 1 7 . 1 1 83 83 ILE HA H 352 3.900 3.900 3.905 -0.005 17838 5492 1 7 . 1 1 83 83 ILE C C 352 174.820 174.820 175.808 -0.988 17838 5493 1 7 . 1 1 83 83 ILE CA C 352 60.850 60.850 63.929 -3.079 17838 5494 1 7 . 1 1 83 83 ILE CB C 352 38.610 38.610 38.166 0.444 17838 5495 1 7 . 1 1 83 83 ILE H H 352 7.110 7.110 7.432 -0.322 17838 5496 1 7 . 1 1 84 84 GLN N N 353 116.230 116.230 115.238 0.992 17838 5497 1 7 . 1 1 84 84 GLN HA H 353 4.290 4.290 4.492 -0.202 17838 5498 1 7 . 1 1 84 84 GLN C C 353 176.520 176.520 175.711 0.809 17838 5499 1 7 . 1 1 84 84 GLN CA C 353 57.040 57.040 56.827 0.214 17838 5500 1 7 . 1 1 84 84 GLN CB C 353 27.700 27.700 27.999 -0.299 17838 5501 1 7 . 1 1 84 84 GLN H H 353 8.110 8.110 8.614 -0.504 17838 5502 1 7 . 1 1 85 85 LYS N N 354 114.900 114.900 116.674 -1.774 17838 5503 1 7 . 1 1 85 85 LYS HA H 354 4.010 4.010 4.255 -0.245 17838 5504 1 7 . 1 1 85 85 LYS C C 354 175.920 175.920 175.504 0.416 17838 5505 1 7 . 1 1 85 85 LYS CA C 354 55.090 55.090 56.051 -0.961 17838 5506 1 7 . 1 1 85 85 LYS CB C 354 33.610 33.610 34.211 -0.601 17838 5507 1 7 . 1 1 85 85 LYS H H 354 7.750 7.750 7.872 -0.122 17838 5508 1 7 . 1 1 86 86 VAL N N 355 112.960 112.960 113.795 -0.835 17838 5509 1 7 . 1 1 86 86 VAL HA H 355 4.810 4.810 4.290 0.520 17838 5510 1 7 . 1 1 86 86 VAL C C 355 174.780 174.780 174.125 0.655 17838 5511 1 7 . 1 1 86 86 VAL CA C 355 60.450 60.450 60.252 0.198 17838 5512 1 7 . 1 1 86 86 VAL CB C 355 34.320 34.320 34.061 0.259 17838 5513 1 7 . 1 1 86 86 VAL H H 355 6.900 6.900 7.144 -0.244 17838 5514 1 7 . 1 1 87 87 GLN N N 356 118.230 118.230 121.843 -3.613 17838 5515 1 7 . 1 1 87 87 GLN HA H 356 4.370 4.370 4.764 -0.394 17838 5516 1 7 . 1 1 87 87 GLN C C 356 174.390 174.390 174.172 0.218 17838 5517 1 7 . 1 1 87 87 GLN CA C 356 54.410 54.410 54.916 -0.506 17838 5518 1 7 . 1 1 87 87 GLN CB C 356 30.820 30.820 30.630 0.190 17838 5519 1 7 . 1 1 87 87 GLN H H 356 8.560 8.560 8.353 0.207 17838 5520 1 7 . 1 1 88 88 VAL N N 357 122.080 122.080 127.383 -5.303 17838 5521 1 7 . 1 1 88 88 VAL HA H 357 4.580 4.580 4.705 -0.125 17838 5522 1 7 . 1 1 88 88 VAL C C 357 173.860 173.860 173.766 0.094 17838 5523 1 7 . 1 1 88 88 VAL CA C 357 61.190 61.190 60.773 0.417 17838 5524 1 7 . 1 1 88 88 VAL CB C 357 31.950 31.950 33.562 -1.612 17838 5525 1 7 . 1 1 88 88 VAL H H 357 8.300 8.300 9.014 -0.714 17838 5526 1 7 . 1 1 89 89 VAL N N 358 127.800 127.800 128.300 -0.500 17838 5527 1 7 . 1 1 89 89 VAL HA H 358 4.270 4.270 5.005 -0.735 17838 5528 1 7 . 1 1 89 89 VAL C C 358 174.840 174.840 174.156 0.684 17838 5529 1 7 . 1 1 89 89 VAL CA C 358 61.240 61.240 59.359 1.881 17838 5530 1 7 . 1 1 89 89 VAL CB C 358 33.020 33.020 35.041 -2.021 17838 5531 1 7 . 1 1 89 89 VAL H H 358 9.010 9.010 9.233 -0.223 17838 5532 1 7 . 1 1 90 90 VAL N N 359 129.800 129.800 129.977 -0.177 17838 5533 1 7 . 1 1 90 90 VAL HA H 359 4.490 4.490 4.160 0.330 17838 5534 1 7 . 1 1 90 90 VAL C C 359 173.580 173.580 175.327 -1.747 17838 5535 1 7 . 1 1 90 90 VAL CA C 359 61.480 61.480 61.539 -0.059 17838 5536 1 7 . 1 1 90 90 VAL CB C 359 33.530 33.530 31.351 2.179 17838 5537 1 7 . 1 1 90 90 VAL H H 359 9.120 9.120 8.953 0.167 17838 5538 1 7 . 1 1 91 91 THR N N 360 122.290 122.290 120.926 1.364 17838 5539 1 7 . 1 1 91 91 THR HA H 360 4.770 4.770 4.703 0.067 17838 5540 1 7 . 1 1 91 91 THR C C 360 173.010 173.010 174.216 -1.206 17838 5541 1 7 . 1 1 91 91 THR CA C 360 61.360 61.360 60.676 0.684 17838 5542 1 7 . 1 1 91 91 THR CB C 360 70.860 70.860 69.181 1.679 17838 5543 1 7 . 1 1 91 91 THR H H 360 8.750 8.750 9.218 -0.468 17838 5544 1 7 . 1 1 92 92 VAL N N 361 125.180 125.180 127.920 -2.740 17838 5545 1 7 . 1 1 92 92 VAL HA H 361 4.670 4.670 4.515 0.155 17838 5546 1 7 . 1 1 92 92 VAL C C 361 174.220 174.220 174.077 0.143 17838 5547 1 7 . 1 1 92 92 VAL CA C 361 61.000 61.000 62.189 -1.189 17838 5548 1 7 . 1 1 92 92 VAL CB C 361 31.960 31.960 32.820 -0.860 17838 5549 1 7 . 1 1 92 92 VAL H H 361 8.580 8.580 8.914 -0.334 17838 5550 1 7 . 1 1 93 93 LEU N N 362 127.950 127.950 126.932 1.018 17838 5551 1 7 . 1 1 93 93 LEU HA H 362 4.750 4.750 4.697 0.053 17838 5552 1 7 . 1 1 93 93 LEU C C 362 173.470 173.470 173.951 -0.481 17838 5553 1 7 . 1 1 93 93 LEU CA C 362 55.470 55.470 53.572 1.898 17838 5554 1 7 . 1 1 93 93 LEU CB C 362 44.440 44.440 47.153 -2.713 17838 5555 1 7 . 1 1 93 93 LEU H H 362 8.860 8.860 8.099 0.761 17838 5556 1 7 . 1 1 94 94 ASP N N 363 116.580 116.580 118.901 -2.321 17838 5557 1 7 . 1 1 94 94 ASP HA H 363 4.810 4.810 5.131 -0.321 17838 5558 1 7 . 1 1 94 94 ASP C C 363 175.870 175.870 174.356 1.514 17838 5559 1 7 . 1 1 94 94 ASP CA C 363 52.020 52.020 52.690 -0.669 17838 5560 1 7 . 1 1 94 94 ASP CB C 363 44.160 44.160 44.261 -0.101 17838 5561 1 7 . 1 1 94 94 ASP H H 363 8.380 8.380 8.153 0.227 17838 5562 1 7 . 1 1 95 95 TYR N N 364 127.590 127.590 121.665 5.925 17838 5563 1 7 . 1 1 95 95 TYR HA H 364 4.310 4.310 4.667 -0.357 17838 5564 1 7 . 1 1 95 95 TYR C C 364 175.260 175.260 174.789 0.471 17838 5565 1 7 . 1 1 95 95 TYR CA C 364 59.750 59.750 55.454 4.296 17838 5566 1 7 . 1 1 95 95 TYR CB C 364 39.300 39.300 38.385 0.915 17838 5567 1 7 . 1 1 95 95 TYR H H 364 9.380 9.380 9.035 0.345 17838 5568 1 7 . 1 1 96 96 ASP N N 365 131.500 131.500 122.173 9.327 17838 5569 1 7 . 1 1 96 96 ASP HA H 365 4.590 4.590 4.370 0.220 17838 5570 1 7 . 1 1 96 96 ASP C C 365 172.480 172.480 175.620 -3.140 17838 5571 1 7 . 1 1 96 96 ASP CA C 365 52.630 52.630 55.706 -3.076 17838 5572 1 7 . 1 1 96 96 ASP CB C 365 41.910 41.910 41.131 0.779 17838 5573 1 7 . 1 1 96 96 ASP H H 365 7.800 7.800 8.175 -0.375 17838 5574 1 7 . 1 1 97 97 LYS N N 366 120.720 120.720 122.974 -2.254 17838 5575 1 7 . 1 1 97 97 LYS HA H 366 3.840 3.840 3.939 -0.099 17838 5576 1 7 . 1 1 97 97 LYS C C 366 176.440 176.440 176.000 0.440 17838 5577 1 7 . 1 1 97 97 LYS CA C 366 58.400 58.400 57.235 1.165 17838 5578 1 7 . 1 1 97 97 LYS CB C 366 33.030 33.030 30.247 2.783 17838 5579 1 7 . 1 1 97 97 LYS H H 366 8.030 8.030 8.886 -0.856 17838 5580 1 7 . 1 1 98 98 ILE N N 367 117.460 117.460 113.855 3.605 17838 5581 1 7 . 1 1 98 98 ILE HA H 367 4.080 4.080 3.757 0.323 17838 5582 1 7 . 1 1 98 98 ILE C C 367 176.200 176.200 175.747 0.453 17838 5583 1 7 . 1 1 98 98 ILE CA C 367 60.910 60.910 62.437 -1.527 17838 5584 1 7 . 1 1 98 98 ILE CB C 367 38.440 38.440 35.399 3.041 17838 5585 1 7 . 1 1 98 98 ILE H H 367 7.790 7.790 8.577 -0.787 17838 5586 1 7 . 1 1 99 99 GLY N N 368 113.730 113.730 109.039 4.691 17838 5587 1 7 . 1 1 99 99 GLY C C 368 173.460 173.460 173.029 0.431 17838 5588 1 7 . 1 1 99 99 GLY CA C 368 44.190 44.190 45.481 -1.291 17838 5589 1 7 . 1 1 99 99 GLY H H 368 8.160 8.160 7.635 0.525 17838 5590 1 7 . 1 1 100 100 LYS N N 369 119.980 119.980 121.290 -1.310 17838 5591 1 7 . 1 1 100 100 LYS HA H 369 4.260 4.260 4.697 -0.437 17838 5592 1 7 . 1 1 100 100 LYS C C 369 175.270 175.270 174.569 0.701 17838 5593 1 7 . 1 1 100 100 LYS CA C 369 56.030 56.030 55.968 0.062 17838 5594 1 7 . 1 1 100 100 LYS CB C 369 33.090 33.090 35.181 -2.091 17838 5595 1 7 . 1 1 100 100 LYS H H 369 8.020 8.020 8.014 0.006 17838 5596 1 7 . 1 1 101 101 ASN N N 370 124.530 124.530 122.754 1.776 17838 5597 1 7 . 1 1 101 101 ASN HA H 370 5.040 5.040 4.972 0.068 17838 5598 1 7 . 1 1 101 101 ASN CA C 370 52.230 52.230 51.987 0.243 17838 5599 1 7 . 1 1 101 101 ASN CB C 370 38.490 38.490 41.764 -3.274 17838 5600 1 7 . 1 1 101 101 ASN H H 370 8.730 8.730 8.600 0.130 17838 5601 1 7 . 1 1 102 102 ASP N N 371 123.520 123.520 118.880 4.640 17838 5602 1 7 . 1 1 102 102 ASP HA H 371 4.590 4.590 4.677 -0.087 17838 5603 1 7 . 1 1 102 102 ASP CA C 371 53.980 53.980 53.294 0.686 17838 5604 1 7 . 1 1 102 102 ASP CB C 371 42.940 42.940 43.251 -0.311 17838 5605 1 7 . 1 1 102 102 ASP H H 371 8.550 8.550 8.310 0.240 17838 5606 1 7 . 1 1 103 103 ALA N N 372 124.120 124.120 121.098 3.022 17838 5607 1 7 . 1 1 103 103 ALA HA H 372 4.210 4.210 4.203 0.007 17838 5608 1 7 . 1 1 103 103 ALA C C 372 177.140 177.140 176.713 0.427 17838 5609 1 7 . 1 1 103 103 ALA CA C 372 52.910 52.910 53.191 -0.281 17838 5610 1 7 . 1 1 103 103 ALA CB C 372 17.740 17.740 17.431 0.309 17838 5611 1 7 . 1 1 103 103 ALA H H 372 8.870 8.870 8.304 0.566 17838 5612 1 7 . 1 1 104 104 ILE N N 373 123.110 123.110 116.871 6.239 17838 5613 1 7 . 1 1 104 104 ILE HA H 373 3.850 3.850 4.316 -0.466 17838 5614 1 7 . 1 1 104 104 ILE C C 373 176.450 176.450 176.084 0.366 17838 5615 1 7 . 1 1 104 104 ILE CA C 373 64.670 64.670 61.009 3.661 17838 5616 1 7 . 1 1 104 104 ILE CB C 373 38.900 38.900 39.616 -0.716 17838 5617 1 7 . 1 1 104 104 ILE H H 373 9.490 9.490 7.894 1.596 17838 5618 1 7 . 1 1 105 105 GLY N N 374 99.210 99.210 106.405 -7.195 17838 5619 1 7 . 1 1 105 105 GLY C C 374 170.160 170.160 171.527 -1.367 17838 5620 1 7 . 1 1 105 105 GLY CA C 374 46.130 46.130 45.495 0.635 17838 5621 1 7 . 1 1 105 105 GLY H H 374 7.310 7.310 7.550 -0.240 17838 5622 1 7 . 1 1 106 106 LYS N N 375 119.580 119.580 122.548 -2.968 17838 5623 1 7 . 1 1 106 106 LYS HA H 375 5.520 5.520 5.674 -0.154 17838 5624 1 7 . 1 1 106 106 LYS C C 375 173.600 173.600 174.786 -1.186 17838 5625 1 7 . 1 1 106 106 LYS CA C 375 55.130 55.130 55.022 0.108 17838 5626 1 7 . 1 1 106 106 LYS CB C 375 39.040 39.040 37.174 1.866 17838 5627 1 7 . 1 1 106 106 LYS H H 375 9.600 9.600 8.848 0.752 17838 5628 1 7 . 1 1 107 107 VAL N N 376 116.620 116.620 121.912 -5.292 17838 5629 1 7 . 1 1 107 107 VAL HA H 376 4.670 4.670 4.264 0.406 17838 5630 1 7 . 1 1 107 107 VAL C C 376 172.040 172.040 172.998 -0.958 17838 5631 1 7 . 1 1 107 107 VAL CA C 376 60.670 60.670 59.834 0.836 17838 5632 1 7 . 1 1 107 107 VAL CB C 376 35.220 35.220 35.706 -0.486 17838 5633 1 7 . 1 1 107 107 VAL H H 376 8.910 8.910 8.168 0.742 17838 5634 1 7 . 1 1 108 108 PHE N N 377 120.920 120.920 120.926 -0.006 17838 5635 1 7 . 1 1 108 108 PHE HA H 377 5.690 5.690 5.592 0.098 17838 5636 1 7 . 1 1 108 108 PHE CA C 377 55.460 55.460 54.718 0.743 17838 5637 1 7 . 1 1 108 108 PHE CB C 377 44.420 44.420 41.346 3.074 17838 5638 1 7 . 1 1 108 108 PHE H H 377 8.560 8.560 7.703 0.857 17838 5639 1 7 . 1 1 109 109 VAL N N 378 108.500 108.500 116.286 -7.786 17838 5640 1 7 . 1 1 109 109 VAL HA H 378 4.150 4.150 4.561 -0.411 17838 5641 1 7 . 1 1 109 109 VAL CA C 378 58.140 58.140 59.540 -1.400 17838 5642 1 7 . 1 1 109 109 VAL CB C 378 33.750 33.750 34.672 -0.922 17838 5643 1 7 . 1 1 109 109 VAL H H 378 8.320 8.320 8.782 -0.462 17838 5644 1 7 . 1 1 110 110 GLY CA C 379 41.340 41.340 44.800 -3.459 17838 5645 1 7 . 1 1 111 111 TYR HA H 380 4.010 4.010 4.136 -0.126 17838 5646 1 7 . 1 1 111 111 TYR CA C 380 59.880 59.880 61.291 -1.411 17838 5647 1 7 . 1 1 111 111 TYR CB C 380 37.860 37.860 39.033 -1.173 17838 5648 1 7 . 1 1 112 112 ASN HA H 381 4.250 4.250 4.243 0.007 17838 5649 1 7 . 1 1 112 112 ASN CA C 381 54.170 54.170 52.596 1.574 17838 5650 1 7 . 1 1 112 112 ASN CB C 381 37.810 37.810 36.465 1.345 17838 5651 1 7 . 1 1 113 113 SER HA H 382 4.140 4.140 4.704 -0.564 17838 5652 1 7 . 1 1 113 113 SER C C 382 172.760 172.760 174.403 -1.643 17838 5653 1 7 . 1 1 113 113 SER CA C 382 58.610 58.610 57.214 1.396 17838 5654 1 7 . 1 1 113 113 SER CB C 382 64.620 64.620 65.244 -0.624 17838 5655 1 7 . 1 1 114 114 THR N N 383 106.230 106.230 116.855 -10.625 17838 5656 1 7 . 1 1 114 114 THR HA H 383 4.730 4.730 4.483 0.247 17838 5657 1 7 . 1 1 114 114 THR C C 383 176.030 176.030 176.034 -0.004 17838 5658 1 7 . 1 1 114 114 THR CA C 383 60.120 60.120 62.295 -2.175 17838 5659 1 7 . 1 1 114 114 THR CB C 383 72.950 72.950 69.851 3.099 17838 5660 1 7 . 1 1 114 114 THR H H 383 7.710 7.710 8.305 -0.595 17838 5661 1 7 . 1 1 115 115 GLY N N 384 108.400 108.400 109.531 -1.131 17838 5662 1 7 . 1 1 115 115 GLY C C 384 175.920 175.920 175.913 0.007 17838 5663 1 7 . 1 1 115 115 GLY CA C 384 47.150 47.150 47.212 -0.062 17838 5664 1 7 . 1 1 115 115 GLY H H 384 8.840 8.840 8.639 0.201 17838 5665 1 7 . 1 1 116 116 ALA N N 385 129.610 129.610 124.895 4.715 17838 5666 1 7 . 1 1 116 116 ALA HA H 385 4.110 4.110 3.984 0.126 17838 5667 1 7 . 1 1 116 116 ALA C C 385 179.670 179.670 180.066 -0.396 17838 5668 1 7 . 1 1 116 116 ALA CA C 385 54.310 54.310 55.264 -0.953 17838 5669 1 7 . 1 1 116 116 ALA CB C 385 18.100 18.100 18.374 -0.274 17838 5670 1 7 . 1 1 116 116 ALA H H 385 9.310 9.310 8.575 0.735 17838 5671 1 7 . 1 1 117 117 GLU N N 386 121.720 121.720 119.210 2.510 17838 5672 1 7 . 1 1 117 117 GLU HA H 386 4.110 4.110 4.059 0.051 17838 5673 1 7 . 1 1 117 117 GLU C C 386 175.960 175.960 179.165 -3.205 17838 5674 1 7 . 1 1 117 117 GLU CA C 386 62.450 62.450 59.781 2.669 17838 5675 1 7 . 1 1 117 117 GLU CB C 386 29.830 29.830 29.020 0.810 17838 5676 1 7 . 1 1 117 117 GLU H H 386 8.140 8.140 8.273 -0.133 17838 5677 1 7 . 1 1 118 118 LEU N N 387 122.820 122.820 121.620 1.200 17838 5678 1 7 . 1 1 118 118 LEU HA H 387 4.140 4.140 4.260 -0.120 17838 5679 1 7 . 1 1 118 118 LEU C C 387 179.580 179.580 178.916 0.664 17838 5680 1 7 . 1 1 118 118 LEU CA C 387 56.900 56.900 57.633 -0.733 17838 5681 1 7 . 1 1 118 118 LEU CB C 387 40.270 40.270 41.737 -1.468 17838 5682 1 7 . 1 1 118 118 LEU H H 387 6.570 6.570 8.248 -1.678 17838 5683 1 7 . 1 1 119 119 ARG N N 388 119.950 119.950 120.679 -0.729 17838 5684 1 7 . 1 1 119 119 ARG HA H 388 4.090 4.090 4.054 0.036 17838 5685 1 7 . 1 1 119 119 ARG C C 388 177.240 177.240 178.175 -0.935 17838 5686 1 7 . 1 1 119 119 ARG CA C 388 59.220 59.220 59.203 0.017 17838 5687 1 7 . 1 1 119 119 ARG CB C 388 29.990 29.990 29.666 0.324 17838 5688 1 7 . 1 1 119 119 ARG H H 388 8.120 8.120 8.488 -0.368 17838 5689 1 7 . 1 1 120 120 HIS N N 389 118.040 118.040 118.046 -0.006 17838 5690 1 7 . 1 1 120 120 HIS HA H 389 4.560 4.560 4.805 -0.245 17838 5691 1 7 . 1 1 120 120 HIS CA C 389 57.520 57.520 58.033 -0.513 17838 5692 1 7 . 1 1 120 120 HIS CB C 389 32.980 32.980 30.005 2.975 17838 5693 1 7 . 1 1 120 120 HIS H H 389 7.510 7.510 8.139 -0.629 17838 5694 1 7 . 1 1 121 121 TRP N N 390 118.700 118.700 121.329 -2.629 17838 5695 1 7 . 1 1 121 121 TRP HA H 390 4.010 4.010 4.354 -0.344 17838 5696 1 7 . 1 1 121 121 TRP C C 390 176.900 176.900 177.309 -0.409 17838 5697 1 7 . 1 1 121 121 TRP CA C 390 60.240 60.240 60.229 0.011 17838 5698 1 7 . 1 1 121 121 TRP CB C 390 30.800 30.800 29.983 0.817 17838 5699 1 7 . 1 1 121 121 TRP H H 390 7.650 7.650 8.312 -0.662 17838 5700 1 7 . 1 1 122 122 SER N N 391 113.110 113.110 112.144 0.966 17838 5701 1 7 . 1 1 122 122 SER HA H 391 4.010 4.010 4.541 -0.531 17838 5702 1 7 . 1 1 122 122 SER C C 391 177.460 177.460 174.182 3.278 17838 5703 1 7 . 1 1 122 122 SER CA C 391 61.970 61.970 59.505 2.465 17838 5704 1 7 . 1 1 122 122 SER CB C 391 62.490 62.490 62.407 0.083 17838 5705 1 7 . 1 1 122 122 SER H H 391 9.060 9.060 8.502 0.558 17838 5706 1 7 . 1 1 123 123 ASP N N 392 123.980 123.980 119.895 4.085 17838 5707 1 7 . 1 1 123 123 ASP HA H 392 4.380 4.380 4.727 -0.347 17838 5708 1 7 . 1 1 123 123 ASP C C 392 178.830 178.830 176.607 2.223 17838 5709 1 7 . 1 1 123 123 ASP CA C 392 57.570 57.570 54.912 2.658 17838 5710 1 7 . 1 1 123 123 ASP CB C 392 40.040 40.040 42.116 -2.076 17838 5711 1 7 . 1 1 123 123 ASP H H 392 8.870 8.870 7.734 1.136 17838 5712 1 7 . 1 1 124 124 MET N N 393 121.910 121.910 119.128 2.782 17838 5713 1 7 . 1 1 124 124 MET HA H 393 3.970 3.970 4.608 -0.638 17838 5714 1 7 . 1 1 124 124 MET C C 393 179.000 179.000 177.107 1.893 17838 5715 1 7 . 1 1 124 124 MET CA C 393 59.350 59.350 56.586 2.764 17838 5716 1 7 . 1 1 124 124 MET CB C 393 32.590 32.590 34.160 -1.570 17838 5717 1 7 . 1 1 124 124 MET H H 393 7.960 7.960 8.039 -0.079 17838 5718 1 7 . 1 1 125 125 LEU N N 394 118.500 118.500 116.719 1.781 17838 5719 1 7 . 1 1 125 125 LEU HA H 394 3.890 3.890 4.802 -0.912 17838 5720 1 7 . 1 1 125 125 LEU C C 394 178.170 178.170 177.840 0.330 17838 5721 1 7 . 1 1 125 125 LEU CA C 394 56.880 56.880 54.625 2.255 17838 5722 1 7 . 1 1 125 125 LEU CB C 394 41.730 41.730 40.107 1.623 17838 5723 1 7 . 1 1 125 125 LEU H H 394 7.610 7.610 7.371 0.239 17838 5724 1 7 . 1 1 126 126 ALA N N 395 118.600 118.600 120.956 -2.356 17838 5725 1 7 . 1 1 126 126 ALA HA H 395 4.220 4.220 3.961 0.259 17838 5726 1 7 . 1 1 126 126 ALA C C 395 176.770 176.770 176.887 -0.117 17838 5727 1 7 . 1 1 126 126 ALA CA C 395 52.850 52.850 53.897 -1.047 17838 5728 1 7 . 1 1 126 126 ALA CB C 395 19.460 19.460 18.887 0.573 17838 5729 1 7 . 1 1 126 126 ALA H H 395 7.850 7.850 7.875 -0.025 17838 5730 1 7 . 1 1 127 127 ASN N N 396 115.840 115.840 114.272 1.568 17838 5731 1 7 . 1 1 127 127 ASN HA H 396 5.100 5.100 4.869 0.231 17838 5732 1 7 . 1 1 127 127 ASN CA C 396 51.110 51.110 53.388 -2.278 17838 5733 1 7 . 1 1 127 127 ASN CB C 396 40.740 40.740 38.923 1.817 17838 5734 1 7 . 1 1 127 127 ASN H H 396 7.150 7.150 7.660 -0.510 17838 5735 1 7 . 1 1 128 128 PRO HA H 397 4.750 4.750 4.507 0.243 17838 5736 1 7 . 1 1 128 128 PRO C C 397 177.390 177.390 176.678 0.712 17838 5737 1 7 . 1 1 128 128 PRO CA C 397 63.910 63.910 63.223 0.687 17838 5738 1 7 . 1 1 128 128 PRO CB C 397 32.250 32.250 32.182 0.068 17838 5739 1 7 . 1 1 129 129 ARG N N 398 111.560 111.560 117.768 -6.208 17838 5740 1 7 . 1 1 129 129 ARG HA H 398 3.530 3.530 4.596 -1.066 17838 5741 1 7 . 1 1 129 129 ARG C C 398 174.880 174.880 175.886 -1.006 17838 5742 1 7 . 1 1 129 129 ARG CA C 398 58.750 58.750 55.565 3.186 17838 5743 1 7 . 1 1 129 129 ARG CB C 398 29.040 29.040 30.552 -1.512 17838 5744 1 7 . 1 1 129 129 ARG H H 398 8.300 8.300 8.610 -0.310 17838 5745 1 7 . 1 1 130 130 ARG N N 399 120.840 120.840 122.384 -1.544 17838 5746 1 7 . 1 1 130 130 ARG HA H 399 4.800 4.800 4.466 0.334 17838 5747 1 7 . 1 1 130 130 ARG CA C 399 53.050 53.050 52.976 0.074 17838 5748 1 7 . 1 1 130 130 ARG CB C 399 31.420 31.420 29.130 2.290 17838 5749 1 7 . 1 1 130 130 ARG H H 399 7.980 7.980 8.299 -0.319 17838 5750 1 7 . 1 1 131 131 PRO HA H 400 4.810 4.810 4.618 0.192 17838 5751 1 7 . 1 1 131 131 PRO C C 400 176.610 176.610 175.481 1.129 17838 5752 1 7 . 1 1 131 131 PRO CA C 400 61.490 61.490 61.998 -0.508 17838 5753 1 7 . 1 1 131 131 PRO CB C 400 43.560 43.560 30.723 12.837 17838 5754 1 7 . 1 1 132 132 ILE N N 401 123.900 123.900 123.915 -0.015 17838 5755 1 7 . 1 1 132 132 ILE HA H 401 4.530 4.530 4.123 0.407 17838 5756 1 7 . 1 1 132 132 ILE C C 401 176.480 176.480 175.639 0.841 17838 5757 1 7 . 1 1 132 132 ILE CA C 401 58.360 58.360 60.084 -1.724 17838 5758 1 7 . 1 1 132 132 ILE CB C 401 39.250 39.250 36.732 2.518 17838 5759 1 7 . 1 1 132 132 ILE H H 401 9.000 9.000 7.849 1.151 17838 5760 1 7 . 1 1 133 133 ALA N N 402 137.830 137.830 131.885 5.945 17838 5761 1 7 . 1 1 133 133 ALA HA H 402 4.920 4.920 5.136 -0.216 17838 5762 1 7 . 1 1 133 133 ALA C C 402 175.260 175.260 176.486 -1.226 17838 5763 1 7 . 1 1 133 133 ALA CA C 402 51.090 51.090 50.980 0.110 17838 5764 1 7 . 1 1 133 133 ALA CB C 402 20.360 20.360 21.162 -0.802 17838 5765 1 7 . 1 1 133 133 ALA H H 402 9.560 9.560 8.607 0.953 17838 5766 1 7 . 1 1 134 134 GLN N N 403 119.730 119.730 119.061 0.669 17838 5767 1 7 . 1 1 134 134 GLN HA H 403 4.020 4.020 4.498 -0.478 17838 5768 1 7 . 1 1 134 134 GLN C C 403 173.700 173.700 173.728 -0.028 17838 5769 1 7 . 1 1 134 134 GLN CA C 403 55.050 55.050 54.470 0.580 17838 5770 1 7 . 1 1 134 134 GLN CB C 403 32.660 32.660 31.719 0.941 17838 5771 1 7 . 1 1 134 134 GLN H H 403 7.620 7.620 8.692 -1.072 17838 5772 1 7 . 1 1 135 135 TRP N N 404 123.420 123.420 121.015 2.405 17838 5773 1 7 . 1 1 135 135 TRP HA H 404 4.510 4.510 5.225 -0.715 17838 5774 1 7 . 1 1 135 135 TRP C C 404 176.280 176.280 175.048 1.232 17838 5775 1 7 . 1 1 135 135 TRP CA C 404 57.880 57.880 54.858 3.022 17838 5776 1 7 . 1 1 135 135 TRP CB C 404 30.110 30.110 30.254 -0.144 17838 5777 1 7 . 1 1 135 135 TRP H H 404 8.310 8.310 7.567 0.743 17838 5778 1 7 . 1 1 136 136 HIS N N 405 117.210 117.210 124.733 -7.523 17838 5779 1 7 . 1 1 136 136 HIS HA H 405 4.810 4.810 4.952 -0.142 17838 5780 1 7 . 1 1 136 136 HIS C C 405 173.490 173.490 174.844 -1.354 17838 5781 1 7 . 1 1 136 136 HIS CA C 405 55.160 55.160 55.132 0.028 17838 5782 1 7 . 1 1 136 136 HIS CB C 405 33.410 33.410 33.549 -0.139 17838 5783 1 7 . 1 1 136 136 HIS H H 405 9.470 9.470 8.830 0.640 17838 5784 1 7 . 1 1 137 137 THR N N 406 122.780 122.780 117.895 4.885 17838 5785 1 7 . 1 1 137 137 THR HA H 406 4.840 4.840 4.379 0.461 17838 5786 1 7 . 1 1 137 137 THR C C 406 174.350 174.350 174.015 0.335 17838 5787 1 7 . 1 1 137 137 THR CA C 406 62.650 62.650 62.888 -0.237 17838 5788 1 7 . 1 1 137 137 THR CB C 406 70.330 70.330 69.240 1.089 17838 5789 1 7 . 1 1 137 137 THR H H 406 9.430 9.430 8.016 1.414 17838 5790 1 7 . 1 1 138 138 LEU N N 407 124.890 124.890 122.762 2.128 17838 5791 1 7 . 1 1 138 138 LEU HA H 407 3.910 3.910 4.501 -0.591 17838 5792 1 7 . 1 1 138 138 LEU C C 407 175.480 175.480 175.912 -0.432 17838 5793 1 7 . 1 1 138 138 LEU CA C 407 55.950 55.950 53.511 2.439 17838 5794 1 7 . 1 1 138 138 LEU CB C 407 43.050 43.050 45.075 -2.025 17838 5795 1 7 . 1 1 138 138 LEU H H 407 8.730 8.730 8.429 0.301 17838 5796 1 7 . 1 1 139 139 GLN N N 408 119.630 119.630 117.858 1.772 17838 5797 1 7 . 1 1 139 139 GLN HA H 408 4.680 4.680 4.734 -0.054 17838 5798 1 7 . 1 1 139 139 GLN C C 408 175.100 175.100 175.475 -0.375 17838 5799 1 7 . 1 1 139 139 GLN CA C 408 53.830 53.830 53.922 -0.092 17838 5800 1 7 . 1 1 139 139 GLN CB C 408 32.150 32.150 32.408 -0.258 17838 5801 1 7 . 1 1 139 139 GLN H H 408 8.470 8.470 8.893 -0.423 17838 5802 1 7 . 1 1 140 140 VAL N N 409 119.820 119.820 117.111 2.709 17838 5803 1 7 . 1 1 140 140 VAL HA H 409 3.850 3.850 4.265 -0.415 17838 5804 1 7 . 1 1 140 140 VAL C C 409 178.020 178.020 176.868 1.152 17838 5805 1 7 . 1 1 140 140 VAL CA C 409 63.130 63.130 61.348 1.782 17838 5806 1 7 . 1 1 140 140 VAL CB C 409 32.500 32.500 33.243 -0.744 17838 5807 1 7 . 1 1 140 140 VAL H H 409 8.410 8.410 8.379 0.031 17838 5808 1 7 . 1 1 141 141 GLU N N 410 127.170 127.170 120.647 6.523 17838 5809 1 7 . 1 1 141 141 GLU HA H 410 3.490 3.490 4.018 -0.528 17838 5810 1 7 . 1 1 141 141 GLU C C 410 176.850 176.850 179.042 -2.192 17838 5811 1 7 . 1 1 141 141 GLU CA C 410 60.610 60.610 59.904 0.706 17838 5812 1 7 . 1 1 141 141 GLU CB C 410 29.530 29.530 29.002 0.528 17838 5813 1 7 . 1 1 141 141 GLU H H 410 8.940 8.940 8.944 -0.004 17838 5814 1 7 . 1 1 142 142 GLU N N 411 115.780 115.780 118.860 -3.080 17838 5815 1 7 . 1 1 142 142 GLU HA H 411 3.950 3.950 4.037 -0.087 17838 5816 1 7 . 1 1 142 142 GLU C C 411 179.050 179.050 179.128 -0.078 17838 5817 1 7 . 1 1 142 142 GLU CA C 411 59.920 59.920 59.711 0.209 17838 5818 1 7 . 1 1 142 142 GLU CB C 411 28.940 28.940 28.997 -0.057 17838 5819 1 7 . 1 1 142 142 GLU H H 411 9.070 9.070 8.855 0.215 17838 5820 1 7 . 1 1 143 143 GLU N N 412 118.520 118.520 118.016 0.504 17838 5821 1 7 . 1 1 143 143 GLU HA H 412 4.050 4.050 4.150 -0.100 17838 5822 1 7 . 1 1 143 143 GLU C C 412 178.870 178.870 177.993 0.877 17838 5823 1 7 . 1 1 143 143 GLU CA C 412 58.590 58.590 58.875 -0.285 17838 5824 1 7 . 1 1 143 143 GLU CB C 412 29.190 29.190 29.200 -0.010 17838 5825 1 7 . 1 1 143 143 GLU H H 412 7.080 7.080 7.903 -0.823 17838 5826 1 7 . 1 1 144 144 VAL N N 413 121.110 121.110 119.443 1.667 17838 5827 1 7 . 1 1 144 144 VAL HA H 413 3.680 3.680 4.104 -0.424 17838 5828 1 7 . 1 1 144 144 VAL C C 413 177.970 177.970 177.329 0.641 17838 5829 1 7 . 1 1 144 144 VAL CA C 413 66.140 66.140 64.028 2.112 17838 5830 1 7 . 1 1 144 144 VAL CB C 413 31.620 31.620 32.724 -1.104 17838 5831 1 7 . 1 1 144 144 VAL H H 413 7.550 7.550 7.616 -0.066 17838 5832 1 7 . 1 1 145 145 ASP N N 414 120.040 120.040 121.577 -1.537 17838 5833 1 7 . 1 1 145 145 ASP HA H 414 4.020 4.020 4.336 -0.316 17838 5834 1 7 . 1 1 145 145 ASP C C 414 178.910 178.910 177.922 0.988 17838 5835 1 7 . 1 1 145 145 ASP CA C 414 57.620 57.620 57.697 -0.077 17838 5836 1 7 . 1 1 145 145 ASP CB C 414 38.690 38.690 40.951 -2.261 17838 5837 1 7 . 1 1 145 145 ASP H H 414 8.660 8.660 8.622 0.038 17838 5838 1 7 . 1 1 146 146 ALA N N 415 121.010 121.010 119.216 1.794 17838 5839 1 7 . 1 1 146 146 ALA HA H 415 4.020 4.020 4.456 -0.436 17838 5840 1 7 . 1 1 146 146 ALA C C 415 179.930 179.930 178.175 1.755 17838 5841 1 7 . 1 1 146 146 ALA CA C 415 54.820 54.820 53.121 1.699 17838 5842 1 7 . 1 1 146 146 ALA CB C 415 17.910 17.910 18.747 -0.837 17838 5843 1 7 . 1 1 146 146 ALA H H 415 7.270 7.270 7.591 -0.321 17838 5844 1 7 . 1 1 147 147 MET N N 416 116.980 116.980 117.525 -0.545 17838 5845 1 7 . 1 1 147 147 MET HA H 416 4.150 4.150 4.397 -0.247 17838 5846 1 7 . 1 1 147 147 MET C C 416 177.990 177.990 177.748 0.242 17838 5847 1 7 . 1 1 147 147 MET CA C 416 57.600 57.600 56.278 1.322 17838 5848 1 7 . 1 1 147 147 MET CB C 416 33.140 33.140 34.017 -0.877 17838 5849 1 7 . 1 1 147 147 MET H H 416 7.410 7.410 7.601 -0.191 17838 5850 1 7 . 1 1 148 148 LEU N N 417 118.550 118.550 117.744 0.806 17838 5851 1 7 . 1 1 148 148 LEU HA H 417 3.540 3.540 4.604 -1.064 17838 5852 1 7 . 1 1 148 148 LEU C C 417 176.810 176.810 177.316 -0.506 17838 5853 1 7 . 1 1 148 148 LEU CA C 417 55.670 55.670 56.644 -0.974 17838 5854 1 7 . 1 1 148 148 LEU CB C 417 42.650 42.650 40.749 1.901 17838 5855 1 7 . 1 1 148 148 LEU H H 417 7.560 7.560 8.072 -0.512 17838 5856 1 7 . 1 1 149 149 ALA N N 418 119.940 119.940 122.835 -2.895 17838 5857 1 7 . 1 1 149 149 ALA HA H 418 4.010 4.010 4.246 -0.236 17838 5858 1 7 . 1 1 149 149 ALA C C 418 177.010 177.010 176.978 0.032 17838 5859 1 7 . 1 1 149 149 ALA CA C 418 52.310 52.310 51.556 0.754 17838 5860 1 7 . 1 1 149 149 ALA CB C 418 18.700 18.700 17.457 1.243 17838 5861 1 7 . 1 1 149 149 ALA H H 418 7.080 7.080 7.684 -0.604 17838 5862 1 7 . 1 1 150 150 VAL N N 419 118.810 118.810 120.054 -1.244 17838 5863 1 7 . 1 1 150 150 VAL HA H 419 3.840 3.840 3.748 0.092 17838 5864 1 7 . 1 1 150 150 VAL C C 419 175.760 175.760 175.835 -0.075 17838 5865 1 7 . 1 1 150 150 VAL CA C 419 62.930 62.930 63.403 -0.473 17838 5866 1 7 . 1 1 150 150 VAL CB C 419 32.450 32.450 31.312 1.138 17838 5867 1 7 . 1 1 150 150 VAL H H 419 7.560 7.560 7.956 -0.396 17838 5868 1 7 . 1 1 151 151 LYS N N 420 126.620 126.620 123.142 3.478 17838 5869 1 7 . 1 1 151 151 LYS HA H 420 4.260 4.260 4.242 0.018 17838 5870 1 7 . 1 1 151 151 LYS C C 420 175.210 175.210 175.815 -0.605 17838 5871 1 7 . 1 1 151 151 LYS CA C 420 56.050 56.050 57.009 -0.959 17838 5872 1 7 . 1 1 151 151 LYS CB C 420 33.050 33.050 33.261 -0.211 17838 5873 1 7 . 1 1 151 151 LYS H H 420 8.290 8.290 8.599 -0.309 17838 5874 1 8 . 1 1 3 3 LYS N N 272 123.800 123.800 117.881 5.919 17838 5875 1 8 . 1 1 3 3 LYS HA H 272 4.190 4.190 4.035 0.155 17838 5876 1 8 . 1 1 3 3 LYS C C 272 176.410 176.410 175.726 0.684 17838 5877 1 8 . 1 1 3 3 LYS CA C 272 56.160 56.160 57.035 -0.875 17838 5878 1 8 . 1 1 3 3 LYS CB C 272 31.950 31.950 31.934 0.016 17838 5879 1 8 . 1 1 3 3 LYS H H 272 8.470 8.470 8.572 -0.102 17838 5880 1 8 . 1 1 4 4 LEU N N 273 125.150 125.150 121.547 3.603 17838 5881 1 8 . 1 1 4 4 LEU HA H 273 4.200 4.200 4.129 0.071 17838 5882 1 8 . 1 1 4 4 LEU C C 273 175.130 175.130 175.974 -0.844 17838 5883 1 8 . 1 1 4 4 LEU CA C 273 55.940 55.940 54.567 1.373 17838 5884 1 8 . 1 1 4 4 LEU CB C 273 43.330 43.330 40.791 2.539 17838 5885 1 8 . 1 1 4 4 LEU H H 273 8.610 8.610 7.959 0.651 17838 5886 1 8 . 1 1 5 5 GLY N N 274 102.380 102.380 108.541 -6.161 17838 5887 1 8 . 1 1 5 5 GLY C C 274 171.630 171.630 172.044 -0.414 17838 5888 1 8 . 1 1 5 5 GLY CA C 274 44.480 44.480 44.667 -0.187 17838 5889 1 8 . 1 1 5 5 GLY H H 274 7.170 7.170 7.961 -0.791 17838 5890 1 8 . 1 1 6 6 ASP N N 275 116.430 116.430 125.356 -8.926 17838 5891 1 8 . 1 1 6 6 ASP HA H 275 5.760 5.760 5.209 0.551 17838 5892 1 8 . 1 1 6 6 ASP C C 275 174.880 174.880 173.986 0.894 17838 5893 1 8 . 1 1 6 6 ASP CA C 275 53.160 53.160 53.609 -0.449 17838 5894 1 8 . 1 1 6 6 ASP CB C 275 45.720 45.720 43.305 2.415 17838 5895 1 8 . 1 1 6 6 ASP H H 275 8.500 8.500 8.125 0.375 17838 5896 1 8 . 1 1 7 7 ILE N N 276 118.640 118.640 123.815 -5.175 17838 5897 1 8 . 1 1 7 7 ILE HA H 276 5.220 5.220 4.414 0.806 17838 5898 1 8 . 1 1 7 7 ILE C C 276 173.900 173.900 173.581 0.319 17838 5899 1 8 . 1 1 7 7 ILE CA C 276 58.730 58.730 60.192 -1.462 17838 5900 1 8 . 1 1 7 7 ILE CB C 276 43.680 43.680 43.114 0.566 17838 5901 1 8 . 1 1 7 7 ILE H H 276 9.930 9.930 8.848 1.082 17838 5902 1 8 . 1 1 8 8 CYS N N 277 128.550 128.550 126.473 2.077 17838 5903 1 8 . 1 1 8 8 CYS HA H 277 4.560 4.560 4.942 -0.382 17838 5904 1 8 . 1 1 8 8 CYS C C 277 173.900 173.900 173.603 0.297 17838 5905 1 8 . 1 1 8 8 CYS CA C 277 56.340 56.340 56.292 0.048 17838 5906 1 8 . 1 1 8 8 CYS CB C 277 25.930 25.930 27.747 -1.817 17838 5907 1 8 . 1 1 8 8 CYS H H 277 8.920 8.920 8.848 0.072 17838 5908 1 8 . 1 1 9 9 PHE N N 278 121.320 121.320 125.119 -3.799 17838 5909 1 8 . 1 1 9 9 PHE HA H 278 5.330 5.330 5.287 0.043 17838 5910 1 8 . 1 1 9 9 PHE C C 278 173.180 173.180 174.687 -1.507 17838 5911 1 8 . 1 1 9 9 PHE CA C 278 54.720 54.720 54.387 0.333 17838 5912 1 8 . 1 1 9 9 PHE CB C 278 43.080 43.080 40.587 2.493 17838 5913 1 8 . 1 1 9 9 PHE H H 278 7.650 7.650 7.445 0.205 17838 5914 1 8 . 1 1 10 10 SER N N 279 116.160 116.160 116.935 -0.775 17838 5915 1 8 . 1 1 10 10 SER HA H 279 5.870 5.870 4.992 0.878 17838 5916 1 8 . 1 1 10 10 SER C C 279 172.820 172.820 173.979 -1.159 17838 5917 1 8 . 1 1 10 10 SER CA C 279 54.990 54.990 57.828 -2.838 17838 5918 1 8 . 1 1 10 10 SER CB C 279 66.260 66.260 63.406 2.854 17838 5919 1 8 . 1 1 10 10 SER H H 279 9.920 9.920 9.382 0.538 17838 5920 1 8 . 1 1 11 11 LEU N N 280 121.460 121.460 127.997 -6.537 17838 5921 1 8 . 1 1 11 11 LEU HA H 280 5.100 5.100 4.423 0.677 17838 5922 1 8 . 1 1 11 11 LEU C C 280 174.900 174.900 175.937 -1.037 17838 5923 1 8 . 1 1 11 11 LEU CA C 280 53.020 53.020 55.187 -2.167 17838 5924 1 8 . 1 1 11 11 LEU CB C 280 46.790 46.790 40.826 5.964 17838 5925 1 8 . 1 1 11 11 LEU H H 280 8.270 8.270 8.321 -0.051 17838 5926 1 8 . 1 1 12 12 ARG N N 281 120.480 120.480 122.013 -1.533 17838 5927 1 8 . 1 1 12 12 ARG HA H 281 4.740 4.740 4.700 0.040 17838 5928 1 8 . 1 1 12 12 ARG C C 281 173.410 173.410 173.576 -0.166 17838 5929 1 8 . 1 1 12 12 ARG CA C 281 54.810 54.810 54.202 0.608 17838 5930 1 8 . 1 1 12 12 ARG CB C 281 34.560 34.560 33.056 1.504 17838 5931 1 8 . 1 1 12 12 ARG H H 281 8.240 8.240 7.824 0.416 17838 5932 1 8 . 1 1 13 13 TYR N N 282 127.490 127.490 120.842 6.648 17838 5933 1 8 . 1 1 13 13 TYR HA H 282 5.490 5.490 4.718 0.772 17838 5934 1 8 . 1 1 13 13 TYR C C 282 174.270 174.270 173.675 0.595 17838 5935 1 8 . 1 1 13 13 TYR CA C 282 56.410 56.410 56.308 0.102 17838 5936 1 8 . 1 1 13 13 TYR CB C 282 39.740 39.740 42.660 -2.920 17838 5937 1 8 . 1 1 13 13 TYR H H 282 9.370 9.370 8.133 1.237 17838 5938 1 8 . 1 1 14 14 VAL N N 283 127.660 127.660 124.395 3.265 17838 5939 1 8 . 1 1 14 14 VAL HA H 283 4.240 4.240 4.365 -0.125 17838 5940 1 8 . 1 1 14 14 VAL CA C 283 58.700 58.700 58.878 -0.178 17838 5941 1 8 . 1 1 14 14 VAL CB C 283 32.450 32.450 32.166 0.284 17838 5942 1 8 . 1 1 14 14 VAL H H 283 7.480 7.480 7.815 -0.335 17838 5943 1 8 . 1 1 15 15 PRO HA H 284 3.780 3.780 4.212 -0.432 17838 5944 1 8 . 1 1 15 15 PRO C C 284 178.150 178.150 177.352 0.798 17838 5945 1 8 . 1 1 15 15 PRO CA C 284 65.540 65.540 64.649 0.891 17838 5946 1 8 . 1 1 15 15 PRO CB C 284 32.360 32.360 31.561 0.798 17838 5947 1 8 . 1 1 16 16 THR N N 285 109.040 109.040 112.447 -3.407 17838 5948 1 8 . 1 1 16 16 THR HA H 285 3.850 3.850 4.151 -0.301 17838 5949 1 8 . 1 1 16 16 THR C C 285 174.880 174.880 174.996 -0.116 17838 5950 1 8 . 1 1 16 16 THR CA C 285 64.490 64.490 64.007 0.483 17838 5951 1 8 . 1 1 16 16 THR CB C 285 68.150 68.150 68.106 0.044 17838 5952 1 8 . 1 1 16 16 THR H H 285 7.690 7.690 7.835 -0.145 17838 5953 1 8 . 1 1 17 17 ALA N N 286 119.760 119.760 122.344 -2.584 17838 5954 1 8 . 1 1 17 17 ALA HA H 286 4.380 4.380 4.493 -0.113 17838 5955 1 8 . 1 1 17 17 ALA C C 286 177.040 177.040 177.872 -0.832 17838 5956 1 8 . 1 1 17 17 ALA CA C 286 51.450 51.450 51.868 -0.418 17838 5957 1 8 . 1 1 17 17 ALA CB C 286 20.320 20.320 20.404 -0.084 17838 5958 1 8 . 1 1 17 17 ALA H H 286 6.520 6.520 7.305 -0.785 17838 5959 1 8 . 1 1 18 18 GLY N N 287 109.040 109.040 108.562 0.478 17838 5960 1 8 . 1 1 18 18 GLY C C 287 173.990 173.990 173.693 0.297 17838 5961 1 8 . 1 1 18 18 GLY CA C 287 47.150 47.150 45.521 1.629 17838 5962 1 8 . 1 1 18 18 GLY H H 287 7.690 7.690 7.899 -0.209 17838 5963 1 8 . 1 1 19 19 LYS N N 288 117.030 117.030 115.089 1.941 17838 5964 1 8 . 1 1 19 19 LYS HA H 288 4.890 4.890 5.066 -0.176 17838 5965 1 8 . 1 1 19 19 LYS C C 288 173.910 173.910 174.239 -0.329 17838 5966 1 8 . 1 1 19 19 LYS CA C 288 55.100 55.100 54.344 0.756 17838 5967 1 8 . 1 1 19 19 LYS CB C 288 35.520 35.520 36.240 -0.720 17838 5968 1 8 . 1 1 19 19 LYS H H 288 6.630 6.630 7.478 -0.848 17838 5969 1 8 . 1 1 20 20 LEU N N 289 131.970 131.970 121.438 10.532 17838 5970 1 8 . 1 1 20 20 LEU HA H 289 5.480 5.480 4.714 0.766 17838 5971 1 8 . 1 1 20 20 LEU C C 289 174.750 174.750 176.142 -1.392 17838 5972 1 8 . 1 1 20 20 LEU CA C 289 53.620 53.620 54.987 -1.367 17838 5973 1 8 . 1 1 20 20 LEU CB C 289 45.840 45.840 44.060 1.780 17838 5974 1 8 . 1 1 20 20 LEU H H 289 9.260 9.260 9.052 0.208 17838 5975 1 8 . 1 1 21 21 THR N N 290 124.180 124.180 119.483 4.697 17838 5976 1 8 . 1 1 21 21 THR HA H 290 5.260 5.260 5.098 0.162 17838 5977 1 8 . 1 1 21 21 THR C C 290 173.650 173.650 173.615 0.035 17838 5978 1 8 . 1 1 21 21 THR CA C 290 62.070 62.070 62.171 -0.101 17838 5979 1 8 . 1 1 21 21 THR CB C 290 70.920 70.920 70.120 0.800 17838 5980 1 8 . 1 1 21 21 THR H H 290 9.770 9.770 8.354 1.416 17838 5981 1 8 . 1 1 22 22 VAL N N 291 129.970 129.970 129.265 0.705 17838 5982 1 8 . 1 1 22 22 VAL HA H 291 5.010 5.010 4.532 0.478 17838 5983 1 8 . 1 1 22 22 VAL C C 291 174.510 174.510 175.177 -0.667 17838 5984 1 8 . 1 1 22 22 VAL CA C 291 59.970 59.970 61.685 -1.715 17838 5985 1 8 . 1 1 22 22 VAL CB C 291 34.900 34.900 32.695 2.205 17838 5986 1 8 . 1 1 22 22 VAL H H 291 9.510 9.510 9.133 0.377 17838 5987 1 8 . 1 1 23 23 VAL N N 292 125.670 125.670 125.843 -0.173 17838 5988 1 8 . 1 1 23 23 VAL HA H 292 4.830 4.830 4.949 -0.119 17838 5989 1 8 . 1 1 23 23 VAL C C 292 177.610 177.610 175.398 2.212 17838 5990 1 8 . 1 1 23 23 VAL CA C 292 60.370 60.370 60.468 -0.098 17838 5991 1 8 . 1 1 23 23 VAL CB C 292 32.230 32.230 32.580 -0.350 17838 5992 1 8 . 1 1 23 23 VAL H H 292 8.650 8.650 8.312 0.338 17838 5993 1 8 . 1 1 24 24 ILE N N 293 125.630 125.630 128.226 -2.596 17838 5994 1 8 . 1 1 24 24 ILE HA H 293 4.010 4.010 4.328 -0.318 17838 5995 1 8 . 1 1 24 24 ILE C C 293 175.140 175.140 175.885 -0.745 17838 5996 1 8 . 1 1 24 24 ILE CA C 293 58.560 58.560 61.487 -2.927 17838 5997 1 8 . 1 1 24 24 ILE CB C 293 34.580 34.580 37.819 -3.239 17838 5998 1 8 . 1 1 24 24 ILE H H 293 9.100 9.100 8.611 0.489 17838 5999 1 8 . 1 1 25 25 LEU N N 294 130.570 130.570 129.564 1.006 17838 6000 1 8 . 1 1 25 25 LEU HA H 294 4.110 4.110 4.322 -0.212 17838 6001 1 8 . 1 1 25 25 LEU C C 294 175.250 175.250 176.601 -1.351 17838 6002 1 8 . 1 1 25 25 LEU CA C 294 58.210 58.210 56.961 1.249 17838 6003 1 8 . 1 1 25 25 LEU CB C 294 41.470 41.470 42.554 -1.084 17838 6004 1 8 . 1 1 25 25 LEU H H 294 8.260 8.260 8.463 -0.203 17838 6005 1 8 . 1 1 26 26 GLU N N 295 111.970 111.970 111.613 0.357 17838 6006 1 8 . 1 1 26 26 GLU HA H 295 5.050 5.050 5.174 -0.124 17838 6007 1 8 . 1 1 26 26 GLU C C 295 172.250 172.250 174.327 -2.077 17838 6008 1 8 . 1 1 26 26 GLU CA C 295 54.970 54.970 54.865 0.104 17838 6009 1 8 . 1 1 26 26 GLU CB C 295 32.990 32.990 33.103 -0.113 17838 6010 1 8 . 1 1 26 26 GLU H H 295 7.490 7.490 7.687 -0.197 17838 6011 1 8 . 1 1 27 27 ALA N N 296 121.530 121.530 120.738 0.792 17838 6012 1 8 . 1 1 27 27 ALA HA H 296 5.550 5.550 4.685 0.865 17838 6013 1 8 . 1 1 27 27 ALA C C 296 174.560 174.560 175.402 -0.842 17838 6014 1 8 . 1 1 27 27 ALA CA C 296 50.780 50.780 51.352 -0.572 17838 6015 1 8 . 1 1 27 27 ALA CB C 296 22.690 22.690 22.717 -0.027 17838 6016 1 8 . 1 1 27 27 ALA H H 296 9.170 9.170 7.906 1.264 17838 6017 1 8 . 1 1 28 28 LYS N N 297 116.690 116.690 121.018 -4.328 17838 6018 1 8 . 1 1 28 28 LYS HA H 297 5.380 5.380 4.705 0.675 17838 6019 1 8 . 1 1 28 28 LYS C C 297 174.200 174.200 175.400 -1.200 17838 6020 1 8 . 1 1 28 28 LYS CA C 297 54.970 54.970 55.385 -0.415 17838 6021 1 8 . 1 1 28 28 LYS CB C 297 37.660 37.660 31.844 5.816 17838 6022 1 8 . 1 1 28 28 LYS H H 297 9.190 9.190 8.649 0.541 17838 6023 1 8 . 1 1 29 29 ASN N N 298 115.540 115.540 115.791 -0.251 17838 6024 1 8 . 1 1 29 29 ASN HA H 298 4.150 4.150 4.928 -0.778 17838 6025 1 8 . 1 1 29 29 ASN C C 298 173.850 173.850 175.317 -1.467 17838 6026 1 8 . 1 1 29 29 ASN CA C 298 53.600 53.600 52.878 0.722 17838 6027 1 8 . 1 1 29 29 ASN CB C 298 37.000 37.000 40.869 -3.869 17838 6028 1 8 . 1 1 29 29 ASN H H 298 8.640 8.640 8.161 0.479 17838 6029 1 8 . 1 1 30 30 LEU N N 299 114.360 114.360 123.642 -9.282 17838 6030 1 8 . 1 1 30 30 LEU HA H 299 4.500 4.500 4.465 0.035 17838 6031 1 8 . 1 1 30 30 LEU C C 299 174.750 174.750 175.740 -0.990 17838 6032 1 8 . 1 1 30 30 LEU CA C 299 55.010 55.010 54.148 0.862 17838 6033 1 8 . 1 1 30 30 LEU CB C 299 42.820 42.820 39.878 2.942 17838 6034 1 8 . 1 1 30 30 LEU H H 299 8.210 8.210 7.688 0.522 17838 6035 1 8 . 1 1 31 31 LYS N N 300 119.660 119.660 123.472 -3.812 17838 6036 1 8 . 1 1 31 31 LYS HA H 300 3.900 3.900 4.244 -0.344 17838 6037 1 8 . 1 1 31 31 LYS C C 300 175.130 175.130 175.879 -0.749 17838 6038 1 8 . 1 1 31 31 LYS CA C 300 56.630 56.630 55.947 0.683 17838 6039 1 8 . 1 1 31 31 LYS CB C 300 35.060 35.060 33.472 1.588 17838 6040 1 8 . 1 1 31 31 LYS H H 300 6.830 6.830 7.714 -0.884 17838 6041 1 8 . 1 1 32 32 LYS N N 301 124.550 124.550 125.026 -0.476 17838 6042 1 8 . 1 1 32 32 LYS HA H 301 3.760 3.760 4.204 -0.444 17838 6043 1 8 . 1 1 32 32 LYS C C 301 175.590 175.590 177.287 -1.697 17838 6044 1 8 . 1 1 32 32 LYS CA C 301 56.900 56.900 57.543 -0.643 17838 6045 1 8 . 1 1 32 32 LYS CB C 301 32.990 32.990 31.348 1.642 17838 6046 1 8 . 1 1 32 32 LYS H H 301 8.060 8.060 8.688 -0.628 17838 6047 1 8 . 1 1 33 33 MET N N 302 122.790 122.790 120.292 2.498 17838 6048 1 8 . 1 1 33 33 MET HA H 302 4.720 4.720 4.495 0.225 17838 6049 1 8 . 1 1 33 33 MET C C 302 176.510 176.510 176.043 0.467 17838 6050 1 8 . 1 1 33 33 MET CA C 302 53.860 53.860 55.459 -1.599 17838 6051 1 8 . 1 1 33 33 MET CB C 302 32.590 32.590 32.926 -0.336 17838 6052 1 8 . 1 1 33 33 MET H H 302 7.970 7.970 8.257 -0.287 17838 6053 1 8 . 1 1 34 34 ASP N N 303 124.630 124.630 120.813 3.817 17838 6054 1 8 . 1 1 34 34 ASP HA H 303 5.030 5.030 4.600 0.430 17838 6055 1 8 . 1 1 34 34 ASP CA C 303 52.810 52.810 53.896 -1.086 17838 6056 1 8 . 1 1 34 34 ASP CB C 303 41.950 41.950 42.809 -0.859 17838 6057 1 8 . 1 1 34 34 ASP H H 303 8.080 8.080 7.702 0.378 17838 6058 1 8 . 1 1 35 35 VAL N N 304 125.910 125.910 119.848 6.062 17838 6059 1 8 . 1 1 35 35 VAL HA H 304 3.690 3.690 3.895 -0.205 17838 6060 1 8 . 1 1 35 35 VAL C C 304 176.820 176.820 176.655 0.165 17838 6061 1 8 . 1 1 35 35 VAL CA C 304 64.750 64.750 63.731 1.019 17838 6062 1 8 . 1 1 35 35 VAL CB C 304 31.120 31.120 32.127 -1.007 17838 6063 1 8 . 1 1 35 35 VAL H H 304 8.760 8.760 8.354 0.406 17838 6064 1 8 . 1 1 36 36 GLY N N 305 115.560 115.560 103.543 12.017 17838 6065 1 8 . 1 1 36 36 GLY C C 305 174.160 174.160 174.333 -0.173 17838 6066 1 8 . 1 1 36 36 GLY CA C 305 45.740 45.740 44.730 1.010 17838 6067 1 8 . 1 1 36 36 GLY H H 305 8.830 8.830 8.402 0.428 17838 6068 1 8 . 1 1 37 37 GLY N N 306 109.040 109.040 109.455 -0.415 17838 6069 1 8 . 1 1 37 37 GLY C C 306 173.030 173.030 173.613 -0.583 17838 6070 1 8 . 1 1 37 37 GLY CA C 306 45.040 45.040 44.074 0.966 17838 6071 1 8 . 1 1 37 37 GLY H H 306 7.690 7.690 8.680 -0.990 17838 6072 1 8 . 1 1 38 38 LEU N N 307 124.610 124.610 119.235 5.375 17838 6073 1 8 . 1 1 38 38 LEU HA H 307 4.580 4.580 4.704 -0.124 17838 6074 1 8 . 1 1 38 38 LEU CA C 307 53.470 53.470 53.703 -0.233 17838 6075 1 8 . 1 1 38 38 LEU CB C 307 42.060 42.060 45.303 -3.243 17838 6076 1 8 . 1 1 38 38 LEU H H 307 8.410 8.410 8.367 0.043 17838 6077 1 8 . 1 1 39 39 SER N N 308 115.270 115.270 113.996 1.274 17838 6078 1 8 . 1 1 39 39 SER HA H 308 4.490 4.490 4.666 -0.176 17838 6079 1 8 . 1 1 39 39 SER CA C 308 57.250 57.250 57.523 -0.273 17838 6080 1 8 . 1 1 39 39 SER CB C 308 68.290 68.290 65.442 2.848 17838 6081 1 8 . 1 1 39 39 SER H H 308 7.080 7.080 8.424 -1.344 17838 6082 1 8 . 1 1 40 40 ASP N N 309 121.280 121.280 121.479 -0.199 17838 6083 1 8 . 1 1 40 40 ASP HA H 309 5.880 5.880 5.348 0.532 17838 6084 1 8 . 1 1 40 40 ASP CA C 309 52.000 52.000 51.793 0.207 17838 6085 1 8 . 1 1 40 40 ASP CB C 309 42.350 42.350 42.493 -0.143 17838 6086 1 8 . 1 1 40 40 ASP H H 309 9.270 9.270 8.764 0.506 17838 6087 1 8 . 1 1 41 41 PRO HA H 310 5.680 5.680 4.743 0.937 17838 6088 1 8 . 1 1 41 41 PRO C C 310 179.050 179.050 175.791 3.259 17838 6089 1 8 . 1 1 41 41 PRO CA C 310 62.970 62.970 62.374 0.596 17838 6090 1 8 . 1 1 41 41 PRO CB C 310 32.940 32.940 32.792 0.148 17838 6091 1 8 . 1 1 42 42 TYR N N 311 122.860 122.860 122.251 0.609 17838 6092 1 8 . 1 1 42 42 TYR HA H 311 4.740 4.740 4.723 0.017 17838 6093 1 8 . 1 1 42 42 TYR C C 311 170.780 170.780 173.317 -2.537 17838 6094 1 8 . 1 1 42 42 TYR CA C 311 55.640 55.640 58.217 -2.576 17838 6095 1 8 . 1 1 42 42 TYR CB C 311 41.950 41.950 40.787 1.163 17838 6096 1 8 . 1 1 42 42 TYR H H 311 9.130 9.130 8.431 0.699 17838 6097 1 8 . 1 1 43 43 VAL N N 312 120.460 120.460 122.517 -2.057 17838 6098 1 8 . 1 1 43 43 VAL HA H 312 4.840 4.840 4.808 0.032 17838 6099 1 8 . 1 1 43 43 VAL C C 312 174.430 174.430 173.631 0.799 17838 6100 1 8 . 1 1 43 43 VAL CA C 312 60.110 60.110 59.076 1.034 17838 6101 1 8 . 1 1 43 43 VAL CB C 312 33.430 33.430 35.917 -2.487 17838 6102 1 8 . 1 1 43 43 VAL H H 312 8.570 8.570 7.875 0.695 17838 6103 1 8 . 1 1 44 44 LYS N N 313 125.500 125.500 117.074 8.426 17838 6104 1 8 . 1 1 44 44 LYS HA H 313 4.840 4.840 4.612 0.228 17838 6105 1 8 . 1 1 44 44 LYS C C 313 174.300 174.300 174.661 -0.361 17838 6106 1 8 . 1 1 44 44 LYS CA C 313 54.680 54.680 54.474 0.207 17838 6107 1 8 . 1 1 44 44 LYS CB C 313 36.140 36.140 36.091 0.049 17838 6108 1 8 . 1 1 44 44 LYS H H 313 9.050 9.050 8.541 0.509 17838 6109 1 8 . 1 1 45 45 ILE N N 314 123.760 123.760 120.852 2.908 17838 6110 1 8 . 1 1 45 45 ILE HA H 314 4.780 4.780 4.516 0.264 17838 6111 1 8 . 1 1 45 45 ILE C C 314 174.700 174.700 173.507 1.193 17838 6112 1 8 . 1 1 45 45 ILE CA C 314 60.050 60.050 59.216 0.834 17838 6113 1 8 . 1 1 45 45 ILE CB C 314 41.800 41.800 41.950 -0.150 17838 6114 1 8 . 1 1 45 45 ILE H H 314 8.770 8.770 8.695 0.075 17838 6115 1 8 . 1 1 46 46 HIS N N 315 122.820 122.820 123.980 -1.160 17838 6116 1 8 . 1 1 46 46 HIS HA H 315 5.340 5.340 4.925 0.415 17838 6117 1 8 . 1 1 46 46 HIS C C 315 173.540 173.540 174.378 -0.838 17838 6118 1 8 . 1 1 46 46 HIS CA C 315 54.590 54.590 54.705 -0.115 17838 6119 1 8 . 1 1 46 46 HIS CB C 315 34.280 34.280 32.675 1.605 17838 6120 1 8 . 1 1 46 46 HIS H H 315 9.070 9.070 8.861 0.209 17838 6121 1 8 . 1 1 47 47 LEU N N 316 124.780 124.780 121.395 3.385 17838 6122 1 8 . 1 1 47 47 LEU HA H 316 4.760 4.760 4.647 0.113 17838 6123 1 8 . 1 1 47 47 LEU C C 316 174.720 174.720 175.487 -0.767 17838 6124 1 8 . 1 1 47 47 LEU CA C 316 53.480 53.480 54.190 -0.710 17838 6125 1 8 . 1 1 47 47 LEU CB C 316 44.010 44.010 41.701 2.309 17838 6126 1 8 . 1 1 47 47 LEU H H 316 8.350 8.350 8.049 0.301 17838 6127 1 8 . 1 1 48 48 MET N N 317 125.550 125.550 122.120 3.430 17838 6128 1 8 . 1 1 48 48 MET HA H 317 5.360 5.360 4.800 0.560 17838 6129 1 8 . 1 1 48 48 MET C C 317 174.720 174.720 175.831 -1.111 17838 6130 1 8 . 1 1 48 48 MET CA C 317 53.490 53.490 53.475 0.015 17838 6131 1 8 . 1 1 48 48 MET CB C 317 35.800 35.800 30.508 5.292 17838 6132 1 8 . 1 1 48 48 MET H H 317 9.240 9.240 8.767 0.473 17838 6133 1 8 . 1 1 49 49 GLN N N 318 118.130 118.130 123.896 -5.766 17838 6134 1 8 . 1 1 49 49 GLN HA H 318 4.350 4.350 4.368 -0.018 17838 6135 1 8 . 1 1 49 49 GLN C C 318 175.850 175.850 176.321 -0.471 17838 6136 1 8 . 1 1 49 49 GLN CA C 318 56.330 56.330 56.643 -0.313 17838 6137 1 8 . 1 1 49 49 GLN CB C 318 32.240 32.240 29.298 2.942 17838 6138 1 8 . 1 1 49 49 GLN H H 318 8.510 8.510 8.129 0.381 17838 6139 1 8 . 1 1 50 50 ASN N N 319 127.590 127.590 125.158 2.432 17838 6140 1 8 . 1 1 50 50 ASN HA H 319 4.250 4.250 4.442 -0.192 17838 6141 1 8 . 1 1 50 50 ASN C C 319 174.650 174.650 174.761 -0.111 17838 6142 1 8 . 1 1 50 50 ASN CA C 319 54.180 54.180 53.739 0.441 17838 6143 1 8 . 1 1 50 50 ASN CB C 319 37.640 37.640 37.838 -0.198 17838 6144 1 8 . 1 1 50 50 ASN H H 319 9.430 9.430 9.301 0.129 17838 6145 1 8 . 1 1 51 51 GLY N N 320 104.030 104.030 102.866 1.164 17838 6146 1 8 . 1 1 51 51 GLY C C 320 173.160 173.160 173.645 -0.485 17838 6147 1 8 . 1 1 51 51 GLY CA C 320 45.480 45.480 45.326 0.154 17838 6148 1 8 . 1 1 51 51 GLY H H 320 8.950 8.950 7.968 0.982 17838 6149 1 8 . 1 1 52 52 LYS N N 321 120.220 120.220 120.649 -0.429 17838 6150 1 8 . 1 1 52 52 LYS HA H 321 4.400 4.400 4.599 -0.199 17838 6151 1 8 . 1 1 52 52 LYS C C 321 175.370 175.370 175.153 0.217 17838 6152 1 8 . 1 1 52 52 LYS CA C 321 54.340 54.340 54.602 -0.262 17838 6153 1 8 . 1 1 52 52 LYS CB C 321 34.230 34.230 35.107 -0.877 17838 6154 1 8 . 1 1 52 52 LYS H H 321 7.650 7.650 7.661 -0.011 17838 6155 1 8 . 1 1 53 53 ARG N N 322 123.540 123.540 124.513 -0.973 17838 6156 1 8 . 1 1 53 53 ARG HA H 322 4.410 4.410 4.508 -0.098 17838 6157 1 8 . 1 1 53 53 ARG C C 322 175.650 175.650 176.435 -0.785 17838 6158 1 8 . 1 1 53 53 ARG CA C 322 56.620 56.620 56.461 0.160 17838 6159 1 8 . 1 1 53 53 ARG CB C 322 29.960 29.960 29.083 0.877 17838 6160 1 8 . 1 1 53 53 ARG H H 322 8.700 8.700 8.601 0.099 17838 6161 1 8 . 1 1 54 54 LEU N N 323 127.220 127.220 126.426 0.794 17838 6162 1 8 . 1 1 54 54 LEU HA H 323 4.350 4.350 4.202 0.148 17838 6163 1 8 . 1 1 54 54 LEU C C 323 177.380 177.380 177.294 0.086 17838 6164 1 8 . 1 1 54 54 LEU CA C 323 56.230 56.230 57.387 -1.157 17838 6165 1 8 . 1 1 54 54 LEU CB C 323 42.950 42.950 42.681 0.270 17838 6166 1 8 . 1 1 54 54 LEU H H 323 9.270 9.270 8.580 0.690 17838 6167 1 8 . 1 1 55 55 LYS N N 324 115.210 115.210 115.142 0.068 17838 6168 1 8 . 1 1 55 55 LYS HA H 324 4.670 4.670 4.643 0.027 17838 6169 1 8 . 1 1 55 55 LYS C C 324 174.480 174.480 174.377 0.103 17838 6170 1 8 . 1 1 55 55 LYS CA C 324 54.460 54.460 54.680 -0.220 17838 6171 1 8 . 1 1 55 55 LYS CB C 324 37.580 37.580 36.055 1.525 17838 6172 1 8 . 1 1 55 55 LYS H H 324 7.410 7.410 7.812 -0.402 17838 6173 1 8 . 1 1 56 56 LYS N N 325 122.420 122.420 120.632 1.788 17838 6174 1 8 . 1 1 56 56 LYS HA H 325 5.320 5.320 4.775 0.545 17838 6175 1 8 . 1 1 56 56 LYS C C 325 174.700 174.700 175.994 -1.294 17838 6176 1 8 . 1 1 56 56 LYS CA C 325 54.970 54.970 54.978 -0.008 17838 6177 1 8 . 1 1 56 56 LYS CB C 325 35.730 35.730 34.654 1.076 17838 6178 1 8 . 1 1 56 56 LYS H H 325 8.470 8.470 8.423 0.047 17838 6179 1 8 . 1 1 57 57 LYS N N 326 122.740 122.740 124.506 -1.766 17838 6180 1 8 . 1 1 57 57 LYS HA H 326 4.630 4.630 4.705 -0.075 17838 6181 1 8 . 1 1 57 57 LYS C C 326 174.330 174.330 174.084 0.246 17838 6182 1 8 . 1 1 57 57 LYS CA C 326 53.560 53.560 54.717 -1.157 17838 6183 1 8 . 1 1 57 57 LYS CB C 326 37.960 37.960 36.651 1.309 17838 6184 1 8 . 1 1 57 57 LYS H H 326 8.850 8.850 8.483 0.367 17838 6185 1 8 . 1 1 58 58 LYS N N 327 118.070 118.070 121.507 -3.437 17838 6186 1 8 . 1 1 58 58 LYS HA H 327 5.380 5.380 4.708 0.672 17838 6187 1 8 . 1 1 58 58 LYS C C 327 174.810 174.810 175.057 -0.247 17838 6188 1 8 . 1 1 58 58 LYS CA C 327 55.120 55.120 55.129 -0.009 17838 6189 1 8 . 1 1 58 58 LYS CB C 327 36.900 36.900 35.181 1.719 17838 6190 1 8 . 1 1 58 58 LYS H H 327 8.310 8.310 8.515 -0.205 17838 6191 1 8 . 1 1 59 59 THR N N 328 110.590 110.590 115.014 -4.424 17838 6192 1 8 . 1 1 59 59 THR HA H 328 4.850 4.850 4.709 0.141 17838 6193 1 8 . 1 1 59 59 THR C C 328 175.550 175.550 173.498 2.052 17838 6194 1 8 . 1 1 59 59 THR CA C 328 60.950 60.950 60.393 0.557 17838 6195 1 8 . 1 1 59 59 THR CB C 328 73.290 73.290 70.677 2.613 17838 6196 1 8 . 1 1 59 59 THR H H 328 8.650 8.650 7.972 0.678 17838 6197 1 8 . 1 1 60 60 THR N N 329 109.520 109.520 123.536 -14.016 17838 6198 1 8 . 1 1 60 60 THR HA H 329 4.120 4.120 4.607 -0.487 17838 6199 1 8 . 1 1 60 60 THR C C 329 173.570 173.570 173.415 0.155 17838 6200 1 8 . 1 1 60 60 THR CA C 329 62.710 62.710 62.570 0.140 17838 6201 1 8 . 1 1 60 60 THR CB C 329 70.920 70.920 69.015 1.905 17838 6202 1 8 . 1 1 60 60 THR H H 329 9.420 9.420 9.244 0.176 17838 6203 1 8 . 1 1 61 61 ILE N N 330 119.070 119.070 124.772 -5.702 17838 6204 1 8 . 1 1 61 61 ILE HA H 330 4.230 4.230 3.843 0.387 17838 6205 1 8 . 1 1 61 61 ILE C C 330 177.050 177.050 175.272 1.778 17838 6206 1 8 . 1 1 61 61 ILE CA C 330 61.060 61.060 59.655 1.405 17838 6207 1 8 . 1 1 61 61 ILE CB C 330 40.200 40.200 40.217 -0.017 17838 6208 1 8 . 1 1 61 61 ILE H H 330 8.060 8.060 8.277 -0.217 17838 6209 1 8 . 1 1 62 62 LYS N N 331 127.440 127.440 126.268 1.172 17838 6210 1 8 . 1 1 62 62 LYS HA H 331 4.620 4.620 4.393 0.227 17838 6211 1 8 . 1 1 62 62 LYS C C 331 174.080 174.080 176.456 -2.376 17838 6212 1 8 . 1 1 62 62 LYS CA C 331 52.170 52.170 55.268 -3.098 17838 6213 1 8 . 1 1 62 62 LYS CB C 331 31.610 31.610 32.751 -1.141 17838 6214 1 8 . 1 1 62 62 LYS H H 331 7.970 7.970 8.490 -0.520 17838 6215 1 8 . 1 1 63 63 LYS N N 332 118.220 118.220 123.181 -4.961 17838 6216 1 8 . 1 1 63 63 LYS HA H 332 4.630 4.630 4.185 0.445 17838 6217 1 8 . 1 1 63 63 LYS C C 332 177.270 177.270 177.127 0.143 17838 6218 1 8 . 1 1 63 63 LYS CA C 332 55.310 55.310 56.911 -1.601 17838 6219 1 8 . 1 1 63 63 LYS CB C 332 33.550 33.550 32.842 0.709 17838 6220 1 8 . 1 1 63 63 LYS H H 332 8.000 8.000 8.665 -0.665 17838 6221 1 8 . 1 1 64 64 ASN N N 333 122.920 122.920 118.492 4.428 17838 6222 1 8 . 1 1 64 64 ASN HA H 333 4.250 4.250 4.487 -0.237 17838 6223 1 8 . 1 1 64 64 ASN C C 333 173.470 173.470 173.874 -0.404 17838 6224 1 8 . 1 1 64 64 ASN CA C 333 54.030 54.030 54.352 -0.322 17838 6225 1 8 . 1 1 64 64 ASN CB C 333 37.910 37.910 37.467 0.443 17838 6226 1 8 . 1 1 64 64 ASN H H 333 9.710 9.710 8.952 0.758 17838 6227 1 8 . 1 1 65 65 THR N N 334 112.090 112.090 107.416 4.674 17838 6228 1 8 . 1 1 65 65 THR HA H 334 4.600 4.600 4.604 -0.004 17838 6229 1 8 . 1 1 65 65 THR C C 334 170.000 170.000 173.495 -3.495 17838 6230 1 8 . 1 1 65 65 THR CA C 334 60.580 60.580 59.873 0.707 17838 6231 1 8 . 1 1 65 65 THR CB C 334 68.600 68.600 72.219 -3.619 17838 6232 1 8 . 1 1 65 65 THR H H 334 8.630 8.630 7.867 0.763 17838 6233 1 8 . 1 1 66 66 LEU N N 335 121.880 121.880 119.880 2.000 17838 6234 1 8 . 1 1 66 66 LEU HA H 335 4.500 4.500 4.951 -0.451 17838 6235 1 8 . 1 1 66 66 LEU C C 335 173.970 173.970 175.784 -1.814 17838 6236 1 8 . 1 1 66 66 LEU CA C 335 52.790 52.790 55.048 -2.259 17838 6237 1 8 . 1 1 66 66 LEU CB C 335 40.560 40.560 43.272 -2.712 17838 6238 1 8 . 1 1 66 66 LEU H H 335 8.530 8.530 8.438 0.092 17838 6239 1 8 . 1 1 67 67 ASN N N 336 115.420 115.420 117.226 -1.806 17838 6240 1 8 . 1 1 67 67 ASN HA H 336 5.500 5.500 5.487 0.013 17838 6241 1 8 . 1 1 67 67 ASN CA C 336 51.190 51.190 50.503 0.687 17838 6242 1 8 . 1 1 67 67 ASN CB C 336 41.620 41.620 40.334 1.286 17838 6243 1 8 . 1 1 67 67 ASN H H 336 8.540 8.540 7.968 0.572 17838 6244 1 8 . 1 1 68 68 PRO HA H 337 4.170 4.170 4.408 -0.238 17838 6245 1 8 . 1 1 68 68 PRO C C 337 173.480 173.480 175.158 -1.678 17838 6246 1 8 . 1 1 68 68 PRO CA C 337 62.710 62.710 63.401 -0.691 17838 6247 1 8 . 1 1 68 68 PRO CB C 337 32.610 32.610 31.000 1.610 17838 6248 1 8 . 1 1 69 69 TYR N N 338 120.550 120.550 126.067 -5.517 17838 6249 1 8 . 1 1 69 69 TYR HA H 338 4.470 4.470 4.907 -0.437 17838 6250 1 8 . 1 1 69 69 TYR C C 338 174.390 174.390 173.518 0.872 17838 6251 1 8 . 1 1 69 69 TYR CA C 338 57.740 57.740 56.873 0.867 17838 6252 1 8 . 1 1 69 69 TYR CB C 338 40.530 40.530 41.525 -0.995 17838 6253 1 8 . 1 1 69 69 TYR H H 338 8.060 8.060 8.026 0.034 17838 6254 1 8 . 1 1 70 70 TYR N N 339 122.140 122.140 126.812 -4.672 17838 6255 1 8 . 1 1 70 70 TYR HA H 339 4.400 4.400 4.087 0.313 17838 6256 1 8 . 1 1 70 70 TYR C C 339 175.190 175.190 174.218 0.972 17838 6257 1 8 . 1 1 70 70 TYR CA C 339 59.040 59.040 58.434 0.606 17838 6258 1 8 . 1 1 70 70 TYR CB C 339 40.290 40.290 41.780 -1.490 17838 6259 1 8 . 1 1 70 70 TYR H H 339 8.080 8.080 7.936 0.144 17838 6260 1 8 . 1 1 71 71 ASN N N 340 120.260 120.260 118.180 2.080 17838 6261 1 8 . 1 1 71 71 ASN HA H 340 4.080 4.080 4.540 -0.460 17838 6262 1 8 . 1 1 71 71 ASN C C 340 173.510 173.510 174.438 -0.928 17838 6263 1 8 . 1 1 71 71 ASN CA C 340 53.960 53.960 53.929 0.031 17838 6264 1 8 . 1 1 71 71 ASN CB C 340 37.450 37.450 37.781 -0.330 17838 6265 1 8 . 1 1 71 71 ASN H H 340 8.130 8.130 7.911 0.219 17838 6266 1 8 . 1 1 72 72 GLU N N 341 117.370 117.370 117.548 -0.178 17838 6267 1 8 . 1 1 72 72 GLU HA H 341 4.300 4.300 4.351 -0.051 17838 6268 1 8 . 1 1 72 72 GLU C C 341 173.000 173.000 174.932 -1.932 17838 6269 1 8 . 1 1 72 72 GLU CA C 341 55.470 55.470 56.855 -1.385 17838 6270 1 8 . 1 1 72 72 GLU CB C 341 33.320 33.320 31.970 1.350 17838 6271 1 8 . 1 1 72 72 GLU H H 341 7.530 7.530 7.620 -0.090 17838 6272 1 8 . 1 1 73 73 SER N N 342 117.330 117.330 114.567 2.763 17838 6273 1 8 . 1 1 73 73 SER HA H 342 4.740 4.740 4.929 -0.189 17838 6274 1 8 . 1 1 73 73 SER C C 342 172.930 172.930 173.711 -0.781 17838 6275 1 8 . 1 1 73 73 SER CA C 342 56.810 56.810 57.299 -0.489 17838 6276 1 8 . 1 1 73 73 SER CB C 342 64.720 64.720 65.027 -0.307 17838 6277 1 8 . 1 1 73 73 SER H H 342 8.010 8.010 8.358 -0.348 17838 6278 1 8 . 1 1 74 74 PHE N N 343 123.520 123.520 124.684 -1.164 17838 6279 1 8 . 1 1 74 74 PHE HA H 343 4.480 4.480 4.766 -0.286 17838 6280 1 8 . 1 1 74 74 PHE C C 343 173.480 173.480 175.099 -1.619 17838 6281 1 8 . 1 1 74 74 PHE CA C 343 57.280 57.280 56.839 0.441 17838 6282 1 8 . 1 1 74 74 PHE CB C 343 43.130 43.130 40.336 2.794 17838 6283 1 8 . 1 1 74 74 PHE H H 343 8.780 8.780 8.926 -0.146 17838 6284 1 8 . 1 1 75 75 SER N N 344 116.700 116.700 120.699 -3.999 17838 6285 1 8 . 1 1 75 75 SER HA H 344 5.480 5.480 5.550 -0.070 17838 6286 1 8 . 1 1 75 75 SER C C 344 172.170 172.170 173.486 -1.316 17838 6287 1 8 . 1 1 75 75 SER CA C 344 57.210 57.210 57.283 -0.073 17838 6288 1 8 . 1 1 75 75 SER CB C 344 66.140 66.140 65.190 0.950 17838 6289 1 8 . 1 1 75 75 SER H H 344 8.430 8.430 8.968 -0.538 17838 6290 1 8 . 1 1 76 76 PHE N N 345 119.990 119.990 124.065 -4.075 17838 6291 1 8 . 1 1 76 76 PHE HA H 345 4.800 4.800 4.866 -0.066 17838 6292 1 8 . 1 1 76 76 PHE C C 345 173.440 173.440 173.374 0.066 17838 6293 1 8 . 1 1 76 76 PHE CA C 345 56.080 56.080 55.907 0.173 17838 6294 1 8 . 1 1 76 76 PHE CB C 345 43.520 43.520 42.477 1.043 17838 6295 1 8 . 1 1 76 76 PHE H H 345 9.440 9.440 9.204 0.236 17838 6296 1 8 . 1 1 77 77 GLU N N 346 124.120 124.120 129.005 -4.885 17838 6297 1 8 . 1 1 77 77 GLU HA H 346 4.890 4.890 4.351 0.539 17838 6298 1 8 . 1 1 77 77 GLU C C 346 175.510 175.510 174.804 0.706 17838 6299 1 8 . 1 1 77 77 GLU CA C 346 55.880 55.880 55.607 0.273 17838 6300 1 8 . 1 1 77 77 GLU CB C 346 29.220 29.220 28.169 1.052 17838 6301 1 8 . 1 1 77 77 GLU H H 346 9.000 9.000 9.010 -0.010 17838 6302 1 8 . 1 1 78 78 VAL N N 347 125.140 125.140 119.102 6.038 17838 6303 1 8 . 1 1 78 78 VAL HA H 347 4.390 4.390 4.474 -0.084 17838 6304 1 8 . 1 1 78 78 VAL CA C 347 59.350 59.350 57.777 1.573 17838 6305 1 8 . 1 1 78 78 VAL CB C 347 35.710 35.710 33.950 1.760 17838 6306 1 8 . 1 1 78 78 VAL H H 347 8.470 8.470 7.531 0.939 17838 6307 1 8 . 1 1 79 79 PRO HA H 348 4.550 4.550 4.473 0.077 17838 6308 1 8 . 1 1 79 79 PRO C C 348 177.330 177.330 178.131 -0.801 17838 6309 1 8 . 1 1 79 79 PRO CA C 348 62.850 62.850 62.410 0.440 17838 6310 1 8 . 1 1 79 79 PRO CB C 348 32.870 32.870 32.059 0.812 17838 6311 1 8 . 1 1 80 80 PHE N N 349 125.590 125.590 118.039 7.551 17838 6312 1 8 . 1 1 80 80 PHE HA H 349 4.610 4.610 3.883 0.727 17838 6313 1 8 . 1 1 80 80 PHE C C 349 177.630 177.630 176.959 0.671 17838 6314 1 8 . 1 1 80 80 PHE CA C 349 61.050 61.050 60.459 0.591 17838 6315 1 8 . 1 1 80 80 PHE CB C 349 38.960 38.960 37.233 1.727 17838 6316 1 8 . 1 1 80 80 PHE H H 349 9.250 9.250 7.964 1.286 17838 6317 1 8 . 1 1 81 81 GLU N N 350 116.260 116.260 119.038 -2.778 17838 6318 1 8 . 1 1 81 81 GLU HA H 350 3.870 3.870 4.127 -0.257 17838 6319 1 8 . 1 1 81 81 GLU C C 350 176.960 176.960 178.009 -1.049 17838 6320 1 8 . 1 1 81 81 GLU CA C 350 58.870 58.870 58.276 0.594 17838 6321 1 8 . 1 1 81 81 GLU CB C 350 28.590 28.590 28.202 0.388 17838 6322 1 8 . 1 1 81 81 GLU H H 350 9.120 9.120 8.120 1.000 17838 6323 1 8 . 1 1 82 82 GLN N N 351 116.390 116.390 117.978 -1.588 17838 6324 1 8 . 1 1 82 82 GLN HA H 351 4.300 4.300 4.166 0.134 17838 6325 1 8 . 1 1 82 82 GLN C C 351 177.670 177.670 177.456 0.214 17838 6326 1 8 . 1 1 82 82 GLN CA C 351 55.020 55.020 57.167 -2.147 17838 6327 1 8 . 1 1 82 82 GLN CB C 351 30.360 30.360 28.816 1.544 17838 6328 1 8 . 1 1 82 82 GLN H H 351 8.080 8.080 7.570 0.510 17838 6329 1 8 . 1 1 83 83 ILE N N 352 120.350 120.350 119.644 0.706 17838 6330 1 8 . 1 1 83 83 ILE HA H 352 3.900 3.900 3.768 0.132 17838 6331 1 8 . 1 1 83 83 ILE C C 352 174.820 174.820 176.683 -1.863 17838 6332 1 8 . 1 1 83 83 ILE CA C 352 60.850 60.850 64.648 -3.798 17838 6333 1 8 . 1 1 83 83 ILE CB C 352 38.610 38.610 37.912 0.698 17838 6334 1 8 . 1 1 83 83 ILE H H 352 7.110 7.110 7.207 -0.097 17838 6335 1 8 . 1 1 84 84 GLN N N 353 116.230 116.230 116.424 -0.194 17838 6336 1 8 . 1 1 84 84 GLN HA H 353 4.290 4.290 4.451 -0.161 17838 6337 1 8 . 1 1 84 84 GLN C C 353 176.520 176.520 175.244 1.276 17838 6338 1 8 . 1 1 84 84 GLN CA C 353 57.040 57.040 56.020 1.020 17838 6339 1 8 . 1 1 84 84 GLN CB C 353 27.700 27.700 27.488 0.211 17838 6340 1 8 . 1 1 84 84 GLN H H 353 8.110 8.110 8.340 -0.230 17838 6341 1 8 . 1 1 85 85 LYS N N 354 114.900 114.900 116.032 -1.132 17838 6342 1 8 . 1 1 85 85 LYS HA H 354 4.010 4.010 4.355 -0.345 17838 6343 1 8 . 1 1 85 85 LYS C C 354 175.920 175.920 174.958 0.962 17838 6344 1 8 . 1 1 85 85 LYS CA C 354 55.090 55.090 56.043 -0.953 17838 6345 1 8 . 1 1 85 85 LYS CB C 354 33.610 33.610 33.954 -0.344 17838 6346 1 8 . 1 1 85 85 LYS H H 354 7.750 7.750 7.884 -0.134 17838 6347 1 8 . 1 1 86 86 VAL N N 355 112.960 112.960 115.463 -2.503 17838 6348 1 8 . 1 1 86 86 VAL HA H 355 4.810 4.810 4.466 0.344 17838 6349 1 8 . 1 1 86 86 VAL C C 355 174.780 174.780 174.180 0.600 17838 6350 1 8 . 1 1 86 86 VAL CA C 355 60.450 60.450 60.172 0.278 17838 6351 1 8 . 1 1 86 86 VAL CB C 355 34.320 34.320 35.271 -0.951 17838 6352 1 8 . 1 1 86 86 VAL H H 355 6.900 6.900 7.208 -0.308 17838 6353 1 8 . 1 1 87 87 GLN N N 356 118.230 118.230 121.559 -3.329 17838 6354 1 8 . 1 1 87 87 GLN HA H 356 4.370 4.370 4.811 -0.441 17838 6355 1 8 . 1 1 87 87 GLN C C 356 174.390 174.390 174.341 0.049 17838 6356 1 8 . 1 1 87 87 GLN CA C 356 54.410 54.410 55.215 -0.805 17838 6357 1 8 . 1 1 87 87 GLN CB C 356 30.820 30.820 30.667 0.153 17838 6358 1 8 . 1 1 87 87 GLN H H 356 8.560 8.560 8.417 0.143 17838 6359 1 8 . 1 1 88 88 VAL N N 357 122.080 122.080 126.586 -4.506 17838 6360 1 8 . 1 1 88 88 VAL HA H 357 4.580 4.580 4.578 0.002 17838 6361 1 8 . 1 1 88 88 VAL C C 357 173.860 173.860 173.807 0.053 17838 6362 1 8 . 1 1 88 88 VAL CA C 357 61.190 61.190 60.613 0.577 17838 6363 1 8 . 1 1 88 88 VAL CB C 357 31.950 31.950 33.462 -1.512 17838 6364 1 8 . 1 1 88 88 VAL H H 357 8.300 8.300 9.054 -0.754 17838 6365 1 8 . 1 1 89 89 VAL N N 358 127.800 127.800 126.457 1.343 17838 6366 1 8 . 1 1 89 89 VAL HA H 358 4.270 4.270 5.052 -0.782 17838 6367 1 8 . 1 1 89 89 VAL C C 358 174.840 174.840 174.305 0.535 17838 6368 1 8 . 1 1 89 89 VAL CA C 358 61.240 61.240 59.367 1.873 17838 6369 1 8 . 1 1 89 89 VAL CB C 358 33.020 33.020 35.569 -2.549 17838 6370 1 8 . 1 1 89 89 VAL H H 358 9.010 9.010 9.103 -0.093 17838 6371 1 8 . 1 1 90 90 VAL N N 359 129.800 129.800 129.541 0.259 17838 6372 1 8 . 1 1 90 90 VAL HA H 359 4.490 4.490 4.140 0.350 17838 6373 1 8 . 1 1 90 90 VAL C C 359 173.580 173.580 175.313 -1.733 17838 6374 1 8 . 1 1 90 90 VAL CA C 359 61.480 61.480 61.568 -0.088 17838 6375 1 8 . 1 1 90 90 VAL CB C 359 33.530 33.530 30.952 2.578 17838 6376 1 8 . 1 1 90 90 VAL H H 359 9.120 9.120 9.041 0.079 17838 6377 1 8 . 1 1 91 91 THR N N 360 122.290 122.290 121.847 0.443 17838 6378 1 8 . 1 1 91 91 THR HA H 360 4.770 4.770 4.595 0.175 17838 6379 1 8 . 1 1 91 91 THR C C 360 173.010 173.010 174.297 -1.287 17838 6380 1 8 . 1 1 91 91 THR CA C 360 61.360 61.360 61.065 0.295 17838 6381 1 8 . 1 1 91 91 THR CB C 360 70.860 70.860 68.623 2.237 17838 6382 1 8 . 1 1 91 91 THR H H 360 8.750 8.750 8.987 -0.237 17838 6383 1 8 . 1 1 92 92 VAL N N 361 125.180 125.180 127.874 -2.694 17838 6384 1 8 . 1 1 92 92 VAL HA H 361 4.670 4.670 4.440 0.230 17838 6385 1 8 . 1 1 92 92 VAL C C 361 174.220 174.220 174.178 0.042 17838 6386 1 8 . 1 1 92 92 VAL CA C 361 61.000 61.000 62.573 -1.573 17838 6387 1 8 . 1 1 92 92 VAL CB C 361 31.960 31.960 32.651 -0.691 17838 6388 1 8 . 1 1 92 92 VAL H H 361 8.580 8.580 8.428 0.152 17838 6389 1 8 . 1 1 93 93 LEU N N 362 127.950 127.950 126.498 1.452 17838 6390 1 8 . 1 1 93 93 LEU HA H 362 4.750 4.750 4.657 0.093 17838 6391 1 8 . 1 1 93 93 LEU C C 362 173.470 173.470 174.071 -0.601 17838 6392 1 8 . 1 1 93 93 LEU CA C 362 55.470 55.470 53.626 1.844 17838 6393 1 8 . 1 1 93 93 LEU CB C 362 44.440 44.440 47.215 -2.775 17838 6394 1 8 . 1 1 93 93 LEU H H 362 8.860 8.860 8.073 0.787 17838 6395 1 8 . 1 1 94 94 ASP N N 363 116.580 116.580 117.883 -1.303 17838 6396 1 8 . 1 1 94 94 ASP HA H 363 4.810 4.810 5.135 -0.325 17838 6397 1 8 . 1 1 94 94 ASP C C 363 175.870 175.870 174.435 1.435 17838 6398 1 8 . 1 1 94 94 ASP CA C 363 52.020 52.020 52.991 -0.971 17838 6399 1 8 . 1 1 94 94 ASP CB C 363 44.160 44.160 44.162 -0.002 17838 6400 1 8 . 1 1 94 94 ASP H H 363 8.380 8.380 8.050 0.330 17838 6401 1 8 . 1 1 95 95 TYR N N 364 127.590 127.590 120.098 7.492 17838 6402 1 8 . 1 1 95 95 TYR HA H 364 4.310 4.310 4.791 -0.481 17838 6403 1 8 . 1 1 95 95 TYR C C 364 175.260 175.260 175.142 0.118 17838 6404 1 8 . 1 1 95 95 TYR CA C 364 59.750 59.750 54.931 4.819 17838 6405 1 8 . 1 1 95 95 TYR CB C 364 39.300 39.300 38.423 0.876 17838 6406 1 8 . 1 1 95 95 TYR H H 364 9.380 9.380 9.050 0.330 17838 6407 1 8 . 1 1 96 96 ASP N N 365 131.500 131.500 122.203 9.297 17838 6408 1 8 . 1 1 96 96 ASP HA H 365 4.590 4.590 4.315 0.275 17838 6409 1 8 . 1 1 96 96 ASP C C 365 172.480 172.480 175.993 -3.513 17838 6410 1 8 . 1 1 96 96 ASP CA C 365 52.630 52.630 56.348 -3.718 17838 6411 1 8 . 1 1 96 96 ASP CB C 365 41.910 41.910 41.233 0.677 17838 6412 1 8 . 1 1 96 96 ASP H H 365 7.800 7.800 8.361 -0.561 17838 6413 1 8 . 1 1 97 97 LYS N N 366 120.720 120.720 123.472 -2.752 17838 6414 1 8 . 1 1 97 97 LYS HA H 366 3.840 3.840 3.989 -0.149 17838 6415 1 8 . 1 1 97 97 LYS C C 366 176.440 176.440 175.969 0.471 17838 6416 1 8 . 1 1 97 97 LYS CA C 366 58.400 58.400 57.231 1.169 17838 6417 1 8 . 1 1 97 97 LYS CB C 366 33.030 33.030 30.907 2.123 17838 6418 1 8 . 1 1 97 97 LYS H H 366 8.030 8.030 8.893 -0.863 17838 6419 1 8 . 1 1 98 98 ILE N N 367 117.460 117.460 114.586 2.874 17838 6420 1 8 . 1 1 98 98 ILE HA H 367 4.080 4.080 3.763 0.317 17838 6421 1 8 . 1 1 98 98 ILE C C 367 176.200 176.200 175.772 0.428 17838 6422 1 8 . 1 1 98 98 ILE CA C 367 60.910 60.910 62.593 -1.683 17838 6423 1 8 . 1 1 98 98 ILE CB C 367 38.440 38.440 35.149 3.291 17838 6424 1 8 . 1 1 98 98 ILE H H 367 7.790 7.790 8.739 -0.949 17838 6425 1 8 . 1 1 99 99 GLY N N 368 113.730 113.730 109.432 4.298 17838 6426 1 8 . 1 1 99 99 GLY C C 368 173.460 173.460 172.673 0.787 17838 6427 1 8 . 1 1 99 99 GLY CA C 368 44.190 44.190 45.269 -1.079 17838 6428 1 8 . 1 1 99 99 GLY H H 368 8.160 8.160 8.208 -0.048 17838 6429 1 8 . 1 1 100 100 LYS N N 369 119.980 119.980 120.943 -0.963 17838 6430 1 8 . 1 1 100 100 LYS HA H 369 4.260 4.260 4.717 -0.457 17838 6431 1 8 . 1 1 100 100 LYS C C 369 175.270 175.270 174.756 0.514 17838 6432 1 8 . 1 1 100 100 LYS CA C 369 56.030 56.030 55.316 0.714 17838 6433 1 8 . 1 1 100 100 LYS CB C 369 33.090 33.090 34.273 -1.183 17838 6434 1 8 . 1 1 100 100 LYS H H 369 8.020 8.020 8.263 -0.243 17838 6435 1 8 . 1 1 101 101 ASN N N 370 124.530 124.530 123.702 0.828 17838 6436 1 8 . 1 1 101 101 ASN HA H 370 5.040 5.040 4.943 0.097 17838 6437 1 8 . 1 1 101 101 ASN CA C 370 52.230 52.230 51.967 0.263 17838 6438 1 8 . 1 1 101 101 ASN CB C 370 38.490 38.490 41.167 -2.678 17838 6439 1 8 . 1 1 101 101 ASN H H 370 8.730 8.730 8.571 0.159 17838 6440 1 8 . 1 1 102 102 ASP N N 371 123.520 123.520 117.703 5.817 17838 6441 1 8 . 1 1 102 102 ASP HA H 371 4.590 4.590 4.604 -0.014 17838 6442 1 8 . 1 1 102 102 ASP CA C 371 53.980 53.980 53.784 0.196 17838 6443 1 8 . 1 1 102 102 ASP CB C 371 42.940 42.940 42.723 0.217 17838 6444 1 8 . 1 1 102 102 ASP H H 371 8.550 8.550 8.377 0.173 17838 6445 1 8 . 1 1 103 103 ALA N N 372 124.120 124.120 121.337 2.783 17838 6446 1 8 . 1 1 103 103 ALA HA H 372 4.210 4.210 4.254 -0.044 17838 6447 1 8 . 1 1 103 103 ALA C C 372 177.140 177.140 176.456 0.684 17838 6448 1 8 . 1 1 103 103 ALA CA C 372 52.910 52.910 53.072 -0.162 17838 6449 1 8 . 1 1 103 103 ALA CB C 372 17.740 17.740 17.442 0.298 17838 6450 1 8 . 1 1 103 103 ALA H H 372 8.870 8.870 8.425 0.445 17838 6451 1 8 . 1 1 104 104 ILE N N 373 123.110 123.110 116.918 6.192 17838 6452 1 8 . 1 1 104 104 ILE HA H 373 3.850 3.850 4.352 -0.502 17838 6453 1 8 . 1 1 104 104 ILE C C 373 176.450 176.450 175.855 0.595 17838 6454 1 8 . 1 1 104 104 ILE CA C 373 64.670 64.670 60.700 3.970 17838 6455 1 8 . 1 1 104 104 ILE CB C 373 38.900 38.900 40.018 -1.118 17838 6456 1 8 . 1 1 104 104 ILE H H 373 9.490 9.490 7.953 1.537 17838 6457 1 8 . 1 1 105 105 GLY N N 374 99.210 99.210 106.798 -7.588 17838 6458 1 8 . 1 1 105 105 GLY C C 374 170.160 170.160 171.615 -1.455 17838 6459 1 8 . 1 1 105 105 GLY CA C 374 46.130 46.130 45.375 0.755 17838 6460 1 8 . 1 1 105 105 GLY H H 374 7.310 7.310 7.669 -0.359 17838 6461 1 8 . 1 1 106 106 LYS N N 375 119.580 119.580 120.507 -0.927 17838 6462 1 8 . 1 1 106 106 LYS HA H 375 5.520 5.520 5.635 -0.115 17838 6463 1 8 . 1 1 106 106 LYS C C 375 173.600 173.600 174.542 -0.942 17838 6464 1 8 . 1 1 106 106 LYS CA C 375 55.130 55.130 55.433 -0.303 17838 6465 1 8 . 1 1 106 106 LYS CB C 375 39.040 39.040 37.526 1.514 17838 6466 1 8 . 1 1 106 106 LYS H H 375 9.600 9.600 8.609 0.991 17838 6467 1 8 . 1 1 107 107 VAL N N 376 116.620 116.620 120.527 -3.907 17838 6468 1 8 . 1 1 107 107 VAL HA H 376 4.670 4.670 4.262 0.408 17838 6469 1 8 . 1 1 107 107 VAL C C 376 172.040 172.040 172.945 -0.905 17838 6470 1 8 . 1 1 107 107 VAL CA C 376 60.670 60.670 60.315 0.355 17838 6471 1 8 . 1 1 107 107 VAL CB C 376 35.220 35.220 35.605 -0.385 17838 6472 1 8 . 1 1 107 107 VAL H H 376 8.910 8.910 8.019 0.891 17838 6473 1 8 . 1 1 108 108 PHE N N 377 120.920 120.920 122.564 -1.644 17838 6474 1 8 . 1 1 108 108 PHE HA H 377 5.690 5.690 5.573 0.117 17838 6475 1 8 . 1 1 108 108 PHE CA C 377 55.460 55.460 54.641 0.819 17838 6476 1 8 . 1 1 108 108 PHE CB C 377 44.420 44.420 40.785 3.635 17838 6477 1 8 . 1 1 108 108 PHE H H 377 8.560 8.560 7.746 0.814 17838 6478 1 8 . 1 1 109 109 VAL N N 378 108.500 108.500 116.011 -7.511 17838 6479 1 8 . 1 1 109 109 VAL HA H 378 4.150 4.150 4.501 -0.351 17838 6480 1 8 . 1 1 109 109 VAL CA C 378 58.140 58.140 59.552 -1.412 17838 6481 1 8 . 1 1 109 109 VAL CB C 378 33.750 33.750 34.627 -0.877 17838 6482 1 8 . 1 1 109 109 VAL H H 378 8.320 8.320 8.730 -0.410 17838 6483 1 8 . 1 1 110 110 GLY CA C 379 41.340 41.340 44.832 -3.492 17838 6484 1 8 . 1 1 111 111 TYR HA H 380 4.010 4.010 4.421 -0.411 17838 6485 1 8 . 1 1 111 111 TYR CA C 380 59.880 59.880 59.978 -0.098 17838 6486 1 8 . 1 1 111 111 TYR CB C 380 37.860 37.860 39.470 -1.610 17838 6487 1 8 . 1 1 112 112 ASN HA H 381 4.250 4.250 4.412 -0.162 17838 6488 1 8 . 1 1 112 112 ASN CA C 381 54.170 54.170 52.445 1.725 17838 6489 1 8 . 1 1 112 112 ASN CB C 381 37.810 37.810 36.440 1.370 17838 6490 1 8 . 1 1 113 113 SER HA H 382 4.140 4.140 4.796 -0.656 17838 6491 1 8 . 1 1 113 113 SER C C 382 172.760 172.760 174.177 -1.417 17838 6492 1 8 . 1 1 113 113 SER CA C 382 58.610 58.610 56.802 1.808 17838 6493 1 8 . 1 1 113 113 SER CB C 382 64.620 64.620 65.372 -0.752 17838 6494 1 8 . 1 1 114 114 THR N N 383 106.230 106.230 117.493 -11.263 17838 6495 1 8 . 1 1 114 114 THR HA H 383 4.730 4.730 4.435 0.295 17838 6496 1 8 . 1 1 114 114 THR C C 383 176.030 176.030 175.823 0.207 17838 6497 1 8 . 1 1 114 114 THR CA C 383 60.120 60.120 62.810 -2.690 17838 6498 1 8 . 1 1 114 114 THR CB C 383 72.950 72.950 69.634 3.316 17838 6499 1 8 . 1 1 114 114 THR H H 383 7.710 7.710 8.352 -0.642 17838 6500 1 8 . 1 1 115 115 GLY N N 384 108.400 108.400 106.725 1.675 17838 6501 1 8 . 1 1 115 115 GLY C C 384 175.920 175.920 173.394 2.526 17838 6502 1 8 . 1 1 115 115 GLY CA C 384 47.150 47.150 45.713 1.437 17838 6503 1 8 . 1 1 115 115 GLY H H 384 8.840 8.840 8.789 0.051 17838 6504 1 8 . 1 1 116 116 ALA N N 385 129.610 129.610 120.743 8.867 17838 6505 1 8 . 1 1 116 116 ALA HA H 385 4.110 4.110 4.519 -0.409 17838 6506 1 8 . 1 1 116 116 ALA C C 385 179.670 179.670 179.218 0.452 17838 6507 1 8 . 1 1 116 116 ALA CA C 385 54.310 54.310 52.540 1.770 17838 6508 1 8 . 1 1 116 116 ALA CB C 385 18.100 18.100 19.950 -1.850 17838 6509 1 8 . 1 1 116 116 ALA H H 385 9.310 9.310 7.774 1.536 17838 6510 1 8 . 1 1 117 117 GLU N N 386 121.720 121.720 121.045 0.675 17838 6511 1 8 . 1 1 117 117 GLU HA H 386 4.110 4.110 4.317 -0.207 17838 6512 1 8 . 1 1 117 117 GLU C C 386 175.960 175.960 179.136 -3.176 17838 6513 1 8 . 1 1 117 117 GLU CA C 386 62.450 62.450 59.366 3.084 17838 6514 1 8 . 1 1 117 117 GLU CB C 386 29.830 29.830 29.131 0.699 17838 6515 1 8 . 1 1 117 117 GLU H H 386 8.140 8.140 8.282 -0.142 17838 6516 1 8 . 1 1 118 118 LEU N N 387 122.820 122.820 121.288 1.532 17838 6517 1 8 . 1 1 118 118 LEU HA H 387 4.140 4.140 4.351 -0.211 17838 6518 1 8 . 1 1 118 118 LEU C C 387 179.580 179.580 178.573 1.007 17838 6519 1 8 . 1 1 118 118 LEU CA C 387 56.900 56.900 57.838 -0.938 17838 6520 1 8 . 1 1 118 118 LEU CB C 387 40.270 40.270 41.883 -1.613 17838 6521 1 8 . 1 1 118 118 LEU H H 387 6.570 6.570 7.904 -1.334 17838 6522 1 8 . 1 1 119 119 ARG N N 388 119.950 119.950 117.550 2.400 17838 6523 1 8 . 1 1 119 119 ARG HA H 388 4.090 4.090 4.084 0.006 17838 6524 1 8 . 1 1 119 119 ARG C C 388 177.240 177.240 177.581 -0.341 17838 6525 1 8 . 1 1 119 119 ARG CA C 388 59.220 59.220 58.944 0.276 17838 6526 1 8 . 1 1 119 119 ARG CB C 388 29.990 29.990 30.127 -0.137 17838 6527 1 8 . 1 1 119 119 ARG H H 388 8.120 8.120 8.124 -0.004 17838 6528 1 8 . 1 1 120 120 HIS N N 389 118.040 118.040 117.793 0.247 17838 6529 1 8 . 1 1 120 120 HIS HA H 389 4.560 4.560 4.686 -0.126 17838 6530 1 8 . 1 1 120 120 HIS CA C 389 57.520 57.520 58.017 -0.497 17838 6531 1 8 . 1 1 120 120 HIS CB C 389 32.980 32.980 31.166 1.814 17838 6532 1 8 . 1 1 120 120 HIS H H 389 7.510 7.510 7.945 -0.435 17838 6533 1 8 . 1 1 121 121 TRP N N 390 118.700 118.700 121.891 -3.191 17838 6534 1 8 . 1 1 121 121 TRP HA H 390 4.010 4.010 4.442 -0.432 17838 6535 1 8 . 1 1 121 121 TRP C C 390 176.900 176.900 177.898 -0.998 17838 6536 1 8 . 1 1 121 121 TRP CA C 390 60.240 60.240 60.973 -0.733 17838 6537 1 8 . 1 1 121 121 TRP CB C 390 30.800 30.800 29.993 0.807 17838 6538 1 8 . 1 1 121 121 TRP H H 390 7.650 7.650 8.728 -1.078 17838 6539 1 8 . 1 1 122 122 SER N N 391 113.110 113.110 114.204 -1.094 17838 6540 1 8 . 1 1 122 122 SER HA H 391 4.010 4.010 4.382 -0.372 17838 6541 1 8 . 1 1 122 122 SER C C 391 177.460 177.460 173.458 4.002 17838 6542 1 8 . 1 1 122 122 SER CA C 391 61.970 61.970 59.422 2.548 17838 6543 1 8 . 1 1 122 122 SER CB C 391 62.490 62.490 62.639 -0.149 17838 6544 1 8 . 1 1 122 122 SER H H 391 9.060 9.060 8.203 0.857 17838 6545 1 8 . 1 1 123 123 ASP N N 392 123.980 123.980 121.355 2.625 17838 6546 1 8 . 1 1 123 123 ASP HA H 392 4.380 4.380 4.699 -0.319 17838 6547 1 8 . 1 1 123 123 ASP C C 392 178.830 178.830 176.097 2.733 17838 6548 1 8 . 1 1 123 123 ASP CA C 392 57.570 57.570 55.621 1.949 17838 6549 1 8 . 1 1 123 123 ASP CB C 392 40.040 40.040 41.847 -1.807 17838 6550 1 8 . 1 1 123 123 ASP H H 392 8.870 8.870 8.365 0.505 17838 6551 1 8 . 1 1 124 124 MET N N 393 121.910 121.910 118.541 3.369 17838 6552 1 8 . 1 1 124 124 MET HA H 393 3.970 3.970 4.432 -0.462 17838 6553 1 8 . 1 1 124 124 MET C C 393 179.000 179.000 176.663 2.337 17838 6554 1 8 . 1 1 124 124 MET CA C 393 59.350 59.350 56.333 3.017 17838 6555 1 8 . 1 1 124 124 MET CB C 393 32.590 32.590 34.193 -1.603 17838 6556 1 8 . 1 1 124 124 MET H H 393 7.960 7.960 7.921 0.039 17838 6557 1 8 . 1 1 125 125 LEU N N 394 118.500 118.500 114.500 4.000 17838 6558 1 8 . 1 1 125 125 LEU HA H 394 3.890 3.890 4.868 -0.978 17838 6559 1 8 . 1 1 125 125 LEU C C 394 178.170 178.170 177.004 1.166 17838 6560 1 8 . 1 1 125 125 LEU CA C 394 56.880 56.880 53.870 3.010 17838 6561 1 8 . 1 1 125 125 LEU CB C 394 41.730 41.730 40.854 0.876 17838 6562 1 8 . 1 1 125 125 LEU H H 394 7.610 7.610 7.240 0.370 17838 6563 1 8 . 1 1 126 126 ALA N N 395 118.600 118.600 119.459 -0.859 17838 6564 1 8 . 1 1 126 126 ALA HA H 395 4.220 4.220 3.978 0.242 17838 6565 1 8 . 1 1 126 126 ALA C C 395 176.770 176.770 176.876 -0.106 17838 6566 1 8 . 1 1 126 126 ALA CA C 395 52.850 52.850 53.325 -0.475 17838 6567 1 8 . 1 1 126 126 ALA CB C 395 19.460 19.460 19.253 0.207 17838 6568 1 8 . 1 1 126 126 ALA H H 395 7.850 7.850 7.925 -0.075 17838 6569 1 8 . 1 1 127 127 ASN N N 396 115.840 115.840 113.470 2.370 17838 6570 1 8 . 1 1 127 127 ASN HA H 396 5.100 5.100 4.930 0.170 17838 6571 1 8 . 1 1 127 127 ASN CA C 396 51.110 51.110 53.570 -2.460 17838 6572 1 8 . 1 1 127 127 ASN CB C 396 40.740 40.740 38.232 2.508 17838 6573 1 8 . 1 1 127 127 ASN H H 396 7.150 7.150 7.942 -0.792 17838 6574 1 8 . 1 1 128 128 PRO HA H 397 4.750 4.750 4.489 0.261 17838 6575 1 8 . 1 1 128 128 PRO C C 397 177.390 177.390 176.736 0.654 17838 6576 1 8 . 1 1 128 128 PRO CA C 397 63.910 63.910 63.101 0.809 17838 6577 1 8 . 1 1 128 128 PRO CB C 397 32.250 32.250 32.129 0.121 17838 6578 1 8 . 1 1 129 129 ARG N N 398 111.560 111.560 117.871 -6.311 17838 6579 1 8 . 1 1 129 129 ARG HA H 398 3.530 3.530 4.781 -1.251 17838 6580 1 8 . 1 1 129 129 ARG C C 398 174.880 174.880 175.223 -0.343 17838 6581 1 8 . 1 1 129 129 ARG CA C 398 58.750 58.750 54.720 4.030 17838 6582 1 8 . 1 1 129 129 ARG CB C 398 29.040 29.040 30.120 -1.080 17838 6583 1 8 . 1 1 129 129 ARG H H 398 8.300 8.300 8.415 -0.115 17838 6584 1 8 . 1 1 130 130 ARG N N 399 120.840 120.840 121.427 -0.587 17838 6585 1 8 . 1 1 130 130 ARG HA H 399 4.800 4.800 4.664 0.136 17838 6586 1 8 . 1 1 130 130 ARG CA C 399 53.050 53.050 52.364 0.686 17838 6587 1 8 . 1 1 130 130 ARG CB C 399 31.420 31.420 30.030 1.390 17838 6588 1 8 . 1 1 130 130 ARG H H 399 7.980 7.980 8.150 -0.170 17838 6589 1 8 . 1 1 131 131 PRO HA H 400 4.810 4.810 4.623 0.187 17838 6590 1 8 . 1 1 131 131 PRO C C 400 176.610 176.610 175.360 1.250 17838 6591 1 8 . 1 1 131 131 PRO CA C 400 61.490 61.490 62.292 -0.802 17838 6592 1 8 . 1 1 131 131 PRO CB C 400 43.560 43.560 30.932 12.628 17838 6593 1 8 . 1 1 132 132 ILE N N 401 123.900 123.900 123.969 -0.069 17838 6594 1 8 . 1 1 132 132 ILE HA H 401 4.530 4.530 4.176 0.354 17838 6595 1 8 . 1 1 132 132 ILE C C 401 176.480 176.480 175.661 0.819 17838 6596 1 8 . 1 1 132 132 ILE CA C 401 58.360 58.360 59.880 -1.520 17838 6597 1 8 . 1 1 132 132 ILE CB C 401 39.250 39.250 36.396 2.854 17838 6598 1 8 . 1 1 132 132 ILE H H 401 9.000 9.000 8.011 0.989 17838 6599 1 8 . 1 1 133 133 ALA N N 402 137.830 137.830 131.655 6.175 17838 6600 1 8 . 1 1 133 133 ALA HA H 402 4.920 4.920 4.897 0.023 17838 6601 1 8 . 1 1 133 133 ALA C C 402 175.260 175.260 176.575 -1.315 17838 6602 1 8 . 1 1 133 133 ALA CA C 402 51.090 51.090 51.581 -0.491 17838 6603 1 8 . 1 1 133 133 ALA CB C 402 20.360 20.360 20.280 0.080 17838 6604 1 8 . 1 1 133 133 ALA H H 402 9.560 9.560 8.539 1.021 17838 6605 1 8 . 1 1 134 134 GLN N N 403 119.730 119.730 120.684 -0.954 17838 6606 1 8 . 1 1 134 134 GLN HA H 403 4.020 4.020 4.539 -0.519 17838 6607 1 8 . 1 1 134 134 GLN C C 403 173.700 173.700 174.601 -0.901 17838 6608 1 8 . 1 1 134 134 GLN CA C 403 55.050 55.050 54.177 0.873 17838 6609 1 8 . 1 1 134 134 GLN CB C 403 32.660 32.660 31.528 1.132 17838 6610 1 8 . 1 1 134 134 GLN H H 403 7.620 7.620 8.531 -0.911 17838 6611 1 8 . 1 1 135 135 TRP N N 404 123.420 123.420 122.996 0.424 17838 6612 1 8 . 1 1 135 135 TRP HA H 404 4.510 4.510 4.929 -0.419 17838 6613 1 8 . 1 1 135 135 TRP C C 404 176.280 176.280 175.175 1.105 17838 6614 1 8 . 1 1 135 135 TRP CA C 404 57.880 57.880 54.911 2.969 17838 6615 1 8 . 1 1 135 135 TRP CB C 404 30.110 30.110 29.250 0.860 17838 6616 1 8 . 1 1 135 135 TRP H H 404 8.310 8.310 7.924 0.386 17838 6617 1 8 . 1 1 136 136 HIS N N 405 117.210 117.210 125.661 -8.451 17838 6618 1 8 . 1 1 136 136 HIS HA H 405 4.810 4.810 4.896 -0.086 17838 6619 1 8 . 1 1 136 136 HIS C C 405 173.490 173.490 174.749 -1.259 17838 6620 1 8 . 1 1 136 136 HIS CA C 405 55.160 55.160 55.065 0.095 17838 6621 1 8 . 1 1 136 136 HIS CB C 405 33.410 33.410 33.377 0.033 17838 6622 1 8 . 1 1 136 136 HIS H H 405 9.470 9.470 8.615 0.855 17838 6623 1 8 . 1 1 137 137 THR N N 406 122.780 122.780 118.160 4.620 17838 6624 1 8 . 1 1 137 137 THR HA H 406 4.840 4.840 4.281 0.559 17838 6625 1 8 . 1 1 137 137 THR C C 406 174.350 174.350 173.938 0.412 17838 6626 1 8 . 1 1 137 137 THR CA C 406 62.650 62.650 62.829 -0.179 17838 6627 1 8 . 1 1 137 137 THR CB C 406 70.330 70.330 69.223 1.107 17838 6628 1 8 . 1 1 137 137 THR H H 406 9.430 9.430 8.092 1.338 17838 6629 1 8 . 1 1 138 138 LEU N N 407 124.890 124.890 123.393 1.497 17838 6630 1 8 . 1 1 138 138 LEU HA H 407 3.910 3.910 4.602 -0.692 17838 6631 1 8 . 1 1 138 138 LEU C C 407 175.480 175.480 175.976 -0.496 17838 6632 1 8 . 1 1 138 138 LEU CA C 407 55.950 55.950 53.614 2.336 17838 6633 1 8 . 1 1 138 138 LEU CB C 407 43.050 43.050 44.960 -1.910 17838 6634 1 8 . 1 1 138 138 LEU H H 407 8.730 8.730 8.517 0.213 17838 6635 1 8 . 1 1 139 139 GLN N N 408 119.630 119.630 118.773 0.857 17838 6636 1 8 . 1 1 139 139 GLN HA H 408 4.680 4.680 4.748 -0.068 17838 6637 1 8 . 1 1 139 139 GLN C C 408 175.100 175.100 175.245 -0.145 17838 6638 1 8 . 1 1 139 139 GLN CA C 408 53.830 53.830 53.628 0.202 17838 6639 1 8 . 1 1 139 139 GLN CB C 408 32.150 32.150 33.080 -0.930 17838 6640 1 8 . 1 1 139 139 GLN H H 408 8.470 8.470 8.921 -0.451 17838 6641 1 8 . 1 1 140 140 VAL N N 409 119.820 119.820 117.558 2.262 17838 6642 1 8 . 1 1 140 140 VAL HA H 409 3.850 3.850 4.300 -0.450 17838 6643 1 8 . 1 1 140 140 VAL C C 409 178.020 178.020 177.377 0.643 17838 6644 1 8 . 1 1 140 140 VAL CA C 409 63.130 63.130 61.228 1.902 17838 6645 1 8 . 1 1 140 140 VAL CB C 409 32.500 32.500 32.698 -0.198 17838 6646 1 8 . 1 1 140 140 VAL H H 409 8.410 8.410 8.227 0.183 17838 6647 1 8 . 1 1 141 141 GLU N N 410 127.170 127.170 120.513 6.657 17838 6648 1 8 . 1 1 141 141 GLU HA H 410 3.490 3.490 3.991 -0.501 17838 6649 1 8 . 1 1 141 141 GLU C C 410 176.850 176.850 178.656 -1.806 17838 6650 1 8 . 1 1 141 141 GLU CA C 410 60.610 60.610 59.834 0.777 17838 6651 1 8 . 1 1 141 141 GLU CB C 410 29.530 29.530 29.253 0.277 17838 6652 1 8 . 1 1 141 141 GLU H H 410 8.940 8.940 8.826 0.114 17838 6653 1 8 . 1 1 142 142 GLU N N 411 115.780 115.780 119.082 -3.302 17838 6654 1 8 . 1 1 142 142 GLU HA H 411 3.950 3.950 4.064 -0.114 17838 6655 1 8 . 1 1 142 142 GLU C C 411 179.050 179.050 178.954 0.096 17838 6656 1 8 . 1 1 142 142 GLU CA C 411 59.920 59.920 59.726 0.194 17838 6657 1 8 . 1 1 142 142 GLU CB C 411 28.940 28.940 28.893 0.047 17838 6658 1 8 . 1 1 142 142 GLU H H 411 9.070 9.070 8.713 0.357 17838 6659 1 8 . 1 1 143 143 GLU N N 412 118.520 118.520 118.280 0.240 17838 6660 1 8 . 1 1 143 143 GLU HA H 412 4.050 4.050 4.214 -0.164 17838 6661 1 8 . 1 1 143 143 GLU C C 412 178.870 178.870 178.220 0.650 17838 6662 1 8 . 1 1 143 143 GLU CA C 412 58.590 58.590 58.538 0.053 17838 6663 1 8 . 1 1 143 143 GLU CB C 412 29.190 29.190 29.738 -0.548 17838 6664 1 8 . 1 1 143 143 GLU H H 412 7.080 7.080 7.587 -0.507 17838 6665 1 8 . 1 1 144 144 VAL N N 413 121.110 121.110 120.380 0.730 17838 6666 1 8 . 1 1 144 144 VAL HA H 413 3.680 3.680 4.029 -0.349 17838 6667 1 8 . 1 1 144 144 VAL C C 413 177.970 177.970 178.017 -0.047 17838 6668 1 8 . 1 1 144 144 VAL CA C 413 66.140 66.140 63.941 2.199 17838 6669 1 8 . 1 1 144 144 VAL CB C 413 31.620 31.620 32.278 -0.658 17838 6670 1 8 . 1 1 144 144 VAL H H 413 7.550 7.550 7.561 -0.011 17838 6671 1 8 . 1 1 145 145 ASP N N 414 120.040 120.040 121.978 -1.938 17838 6672 1 8 . 1 1 145 145 ASP HA H 414 4.020 4.020 4.365 -0.345 17838 6673 1 8 . 1 1 145 145 ASP C C 414 178.910 178.910 177.777 1.133 17838 6674 1 8 . 1 1 145 145 ASP CA C 414 57.620 57.620 57.609 0.011 17838 6675 1 8 . 1 1 145 145 ASP CB C 414 38.690 38.690 40.958 -2.268 17838 6676 1 8 . 1 1 145 145 ASP H H 414 8.660 8.660 8.643 0.017 17838 6677 1 8 . 1 1 146 146 ALA N N 415 121.010 121.010 119.810 1.200 17838 6678 1 8 . 1 1 146 146 ALA HA H 415 4.020 4.020 4.424 -0.404 17838 6679 1 8 . 1 1 146 146 ALA C C 415 179.930 179.930 177.596 2.334 17838 6680 1 8 . 1 1 146 146 ALA CA C 415 54.820 54.820 52.770 2.050 17838 6681 1 8 . 1 1 146 146 ALA CB C 415 17.910 17.910 18.795 -0.885 17838 6682 1 8 . 1 1 146 146 ALA H H 415 7.270 7.270 7.477 -0.207 17838 6683 1 8 . 1 1 147 147 MET N N 416 116.980 116.980 116.831 0.149 17838 6684 1 8 . 1 1 147 147 MET HA H 416 4.150 4.150 4.621 -0.471 17838 6685 1 8 . 1 1 147 147 MET C C 416 177.990 177.990 175.452 2.538 17838 6686 1 8 . 1 1 147 147 MET CA C 416 57.600 57.600 54.335 3.265 17838 6687 1 8 . 1 1 147 147 MET CB C 416 33.140 33.140 34.128 -0.988 17838 6688 1 8 . 1 1 147 147 MET H H 416 7.410 7.410 7.764 -0.354 17838 6689 1 8 . 1 1 148 148 LEU N N 417 118.550 118.550 116.445 2.105 17838 6690 1 8 . 1 1 148 148 LEU HA H 417 3.540 3.540 4.748 -1.208 17838 6691 1 8 . 1 1 148 148 LEU C C 417 176.810 176.810 176.885 -0.075 17838 6692 1 8 . 1 1 148 148 LEU CA C 417 55.670 55.670 55.385 0.285 17838 6693 1 8 . 1 1 148 148 LEU CB C 417 42.650 42.650 41.422 1.228 17838 6694 1 8 . 1 1 148 148 LEU H H 417 7.560 7.560 7.403 0.157 17838 6695 1 8 . 1 1 149 149 ALA N N 418 119.940 119.940 124.159 -4.219 17838 6696 1 8 . 1 1 149 149 ALA HA H 418 4.010 4.010 4.357 -0.347 17838 6697 1 8 . 1 1 149 149 ALA C C 418 177.010 177.010 177.016 -0.006 17838 6698 1 8 . 1 1 149 149 ALA CA C 418 52.310 52.310 51.324 0.986 17838 6699 1 8 . 1 1 149 149 ALA CB C 418 18.700 18.700 17.405 1.295 17838 6700 1 8 . 1 1 149 149 ALA H H 418 7.080 7.080 7.680 -0.600 17838 6701 1 8 . 1 1 150 150 VAL N N 419 118.810 118.810 118.590 0.220 17838 6702 1 8 . 1 1 150 150 VAL HA H 419 3.840 3.840 3.874 -0.034 17838 6703 1 8 . 1 1 150 150 VAL C C 419 175.760 175.760 175.781 -0.021 17838 6704 1 8 . 1 1 150 150 VAL CA C 419 62.930 62.930 63.470 -0.540 17838 6705 1 8 . 1 1 150 150 VAL CB C 419 32.450 32.450 31.257 1.193 17838 6706 1 8 . 1 1 150 150 VAL H H 419 7.560 7.560 7.731 -0.171 17838 6707 1 8 . 1 1 151 151 LYS N N 420 126.620 126.620 124.314 2.306 17838 6708 1 8 . 1 1 151 151 LYS HA H 420 4.260 4.260 4.286 -0.026 17838 6709 1 8 . 1 1 151 151 LYS C C 420 175.210 175.210 175.473 -0.263 17838 6710 1 8 . 1 1 151 151 LYS CA C 420 56.050 56.050 56.371 -0.321 17838 6711 1 8 . 1 1 151 151 LYS CB C 420 33.050 33.050 33.432 -0.382 17838 6712 1 8 . 1 1 151 151 LYS H H 420 8.290 8.290 8.441 -0.151 17838 6713 1 9 . 1 1 3 3 LYS N N 272 123.800 123.800 120.218 3.582 17838 6714 1 9 . 1 1 3 3 LYS HA H 272 4.190 4.190 3.997 0.193 17838 6715 1 9 . 1 1 3 3 LYS C C 272 176.410 176.410 174.407 2.003 17838 6716 1 9 . 1 1 3 3 LYS CA C 272 56.160 56.160 57.422 -1.262 17838 6717 1 9 . 1 1 3 3 LYS CB C 272 31.950 31.950 31.682 0.268 17838 6718 1 9 . 1 1 3 3 LYS H H 272 8.470 8.470 8.623 -0.153 17838 6719 1 9 . 1 1 4 4 LEU N N 273 125.150 125.150 120.028 5.122 17838 6720 1 9 . 1 1 4 4 LEU HA H 273 4.200 4.200 4.630 -0.430 17838 6721 1 9 . 1 1 4 4 LEU C C 273 175.130 175.130 176.660 -1.530 17838 6722 1 9 . 1 1 4 4 LEU CA C 273 55.940 55.940 54.001 1.939 17838 6723 1 9 . 1 1 4 4 LEU CB C 273 43.330 43.330 42.788 0.542 17838 6724 1 9 . 1 1 4 4 LEU H H 273 8.610 8.610 7.787 0.823 17838 6725 1 9 . 1 1 5 5 GLY N N 274 102.380 102.380 110.797 -8.417 17838 6726 1 9 . 1 1 5 5 GLY C C 274 171.630 171.630 172.540 -0.910 17838 6727 1 9 . 1 1 5 5 GLY CA C 274 44.480 44.480 44.542 -0.062 17838 6728 1 9 . 1 1 5 5 GLY H H 274 7.170 7.170 7.900 -0.730 17838 6729 1 9 . 1 1 6 6 ASP N N 275 116.430 116.430 125.629 -9.199 17838 6730 1 9 . 1 1 6 6 ASP HA H 275 5.760 5.760 5.273 0.487 17838 6731 1 9 . 1 1 6 6 ASP C C 275 174.880 174.880 174.354 0.526 17838 6732 1 9 . 1 1 6 6 ASP CA C 275 53.160 53.160 54.252 -1.092 17838 6733 1 9 . 1 1 6 6 ASP CB C 275 45.720 45.720 43.172 2.548 17838 6734 1 9 . 1 1 6 6 ASP H H 275 8.500 8.500 8.250 0.250 17838 6735 1 9 . 1 1 7 7 ILE N N 276 118.640 118.640 124.194 -5.554 17838 6736 1 9 . 1 1 7 7 ILE HA H 276 5.220 5.220 4.510 0.710 17838 6737 1 9 . 1 1 7 7 ILE C C 276 173.900 173.900 173.929 -0.029 17838 6738 1 9 . 1 1 7 7 ILE CA C 276 58.730 58.730 60.417 -1.687 17838 6739 1 9 . 1 1 7 7 ILE CB C 276 43.680 43.680 43.253 0.427 17838 6740 1 9 . 1 1 7 7 ILE H H 276 9.930 9.930 9.128 0.802 17838 6741 1 9 . 1 1 8 8 CYS N N 277 128.550 128.550 126.735 1.815 17838 6742 1 9 . 1 1 8 8 CYS HA H 277 4.560 4.560 4.791 -0.231 17838 6743 1 9 . 1 1 8 8 CYS C C 277 173.900 173.900 173.769 0.131 17838 6744 1 9 . 1 1 8 8 CYS CA C 277 56.340 56.340 56.832 -0.492 17838 6745 1 9 . 1 1 8 8 CYS CB C 277 25.930 25.930 27.535 -1.605 17838 6746 1 9 . 1 1 8 8 CYS H H 277 8.920 8.920 8.916 0.004 17838 6747 1 9 . 1 1 9 9 PHE N N 278 121.320 121.320 125.091 -3.771 17838 6748 1 9 . 1 1 9 9 PHE HA H 278 5.330 5.330 5.352 -0.022 17838 6749 1 9 . 1 1 9 9 PHE C C 278 173.180 173.180 174.476 -1.296 17838 6750 1 9 . 1 1 9 9 PHE CA C 278 54.720 54.720 54.970 -0.250 17838 6751 1 9 . 1 1 9 9 PHE CB C 278 43.080 43.080 40.280 2.800 17838 6752 1 9 . 1 1 9 9 PHE H H 278 7.650 7.650 7.491 0.159 17838 6753 1 9 . 1 1 10 10 SER N N 279 116.160 116.160 118.882 -2.722 17838 6754 1 9 . 1 1 10 10 SER HA H 279 5.870 5.870 5.050 0.820 17838 6755 1 9 . 1 1 10 10 SER C C 279 172.820 172.820 173.891 -1.071 17838 6756 1 9 . 1 1 10 10 SER CA C 279 54.990 54.990 58.026 -3.036 17838 6757 1 9 . 1 1 10 10 SER CB C 279 66.260 66.260 64.120 2.140 17838 6758 1 9 . 1 1 10 10 SER H H 279 9.920 9.920 9.306 0.614 17838 6759 1 9 . 1 1 11 11 LEU N N 280 121.460 121.460 127.411 -5.951 17838 6760 1 9 . 1 1 11 11 LEU HA H 280 5.100 5.100 4.606 0.494 17838 6761 1 9 . 1 1 11 11 LEU C C 280 174.900 174.900 175.403 -0.503 17838 6762 1 9 . 1 1 11 11 LEU CA C 280 53.020 53.020 54.213 -1.193 17838 6763 1 9 . 1 1 11 11 LEU CB C 280 46.790 46.790 40.549 6.241 17838 6764 1 9 . 1 1 11 11 LEU H H 280 8.270 8.270 8.158 0.112 17838 6765 1 9 . 1 1 12 12 ARG N N 281 120.480 120.480 123.465 -2.985 17838 6766 1 9 . 1 1 12 12 ARG HA H 281 4.740 4.740 4.569 0.171 17838 6767 1 9 . 1 1 12 12 ARG C C 281 173.410 173.410 173.300 0.110 17838 6768 1 9 . 1 1 12 12 ARG CA C 281 54.810 54.810 55.160 -0.350 17838 6769 1 9 . 1 1 12 12 ARG CB C 281 34.560 34.560 33.844 0.716 17838 6770 1 9 . 1 1 12 12 ARG H H 281 8.240 8.240 8.306 -0.066 17838 6771 1 9 . 1 1 13 13 TYR N N 282 127.490 127.490 122.679 4.811 17838 6772 1 9 . 1 1 13 13 TYR HA H 282 5.490 5.490 4.791 0.699 17838 6773 1 9 . 1 1 13 13 TYR C C 282 174.270 174.270 173.419 0.851 17838 6774 1 9 . 1 1 13 13 TYR CA C 282 56.410 56.410 56.198 0.212 17838 6775 1 9 . 1 1 13 13 TYR CB C 282 39.740 39.740 43.103 -3.363 17838 6776 1 9 . 1 1 13 13 TYR H H 282 9.370 9.370 8.012 1.358 17838 6777 1 9 . 1 1 14 14 VAL N N 283 127.660 127.660 124.835 2.825 17838 6778 1 9 . 1 1 14 14 VAL HA H 283 4.240 4.240 4.399 -0.159 17838 6779 1 9 . 1 1 14 14 VAL CA C 283 58.700 58.700 58.972 -0.272 17838 6780 1 9 . 1 1 14 14 VAL CB C 283 32.450 32.450 32.308 0.142 17838 6781 1 9 . 1 1 14 14 VAL H H 283 7.480 7.480 8.222 -0.742 17838 6782 1 9 . 1 1 15 15 PRO HA H 284 3.780 3.780 4.278 -0.498 17838 6783 1 9 . 1 1 15 15 PRO C C 284 178.150 178.150 177.661 0.489 17838 6784 1 9 . 1 1 15 15 PRO CA C 284 65.540 65.540 64.544 0.996 17838 6785 1 9 . 1 1 15 15 PRO CB C 284 32.360 32.360 31.784 0.576 17838 6786 1 9 . 1 1 16 16 THR N N 285 109.040 109.040 112.336 -3.296 17838 6787 1 9 . 1 1 16 16 THR HA H 285 3.850 3.850 4.210 -0.360 17838 6788 1 9 . 1 1 16 16 THR C C 285 174.880 174.880 174.640 0.240 17838 6789 1 9 . 1 1 16 16 THR CA C 285 64.490 64.490 63.864 0.626 17838 6790 1 9 . 1 1 16 16 THR CB C 285 68.150 68.150 68.245 -0.095 17838 6791 1 9 . 1 1 16 16 THR H H 285 7.690 7.690 7.791 -0.101 17838 6792 1 9 . 1 1 17 17 ALA N N 286 119.760 119.760 122.030 -2.270 17838 6793 1 9 . 1 1 17 17 ALA HA H 286 4.380 4.380 4.496 -0.116 17838 6794 1 9 . 1 1 17 17 ALA C C 286 177.040 177.040 177.138 -0.098 17838 6795 1 9 . 1 1 17 17 ALA CA C 286 51.450 51.450 51.918 -0.468 17838 6796 1 9 . 1 1 17 17 ALA CB C 286 20.320 20.320 20.820 -0.500 17838 6797 1 9 . 1 1 17 17 ALA H H 286 6.520 6.520 7.346 -0.826 17838 6798 1 9 . 1 1 18 18 GLY N N 287 109.040 109.040 109.073 -0.033 17838 6799 1 9 . 1 1 18 18 GLY C C 287 173.990 173.990 172.838 1.152 17838 6800 1 9 . 1 1 18 18 GLY CA C 287 47.150 47.150 44.993 2.157 17838 6801 1 9 . 1 1 18 18 GLY H H 287 7.690 7.690 8.287 -0.597 17838 6802 1 9 . 1 1 19 19 LYS N N 288 117.030 117.030 116.159 0.871 17838 6803 1 9 . 1 1 19 19 LYS HA H 288 4.890 4.890 5.100 -0.210 17838 6804 1 9 . 1 1 19 19 LYS C C 288 173.910 173.910 174.483 -0.573 17838 6805 1 9 . 1 1 19 19 LYS CA C 288 55.100 55.100 54.369 0.731 17838 6806 1 9 . 1 1 19 19 LYS CB C 288 35.520 35.520 36.230 -0.710 17838 6807 1 9 . 1 1 19 19 LYS H H 288 6.630 6.630 7.333 -0.703 17838 6808 1 9 . 1 1 20 20 LEU N N 289 131.970 131.970 122.471 9.499 17838 6809 1 9 . 1 1 20 20 LEU HA H 289 5.480 5.480 4.623 0.857 17838 6810 1 9 . 1 1 20 20 LEU C C 289 174.750 174.750 176.636 -1.886 17838 6811 1 9 . 1 1 20 20 LEU CA C 289 53.620 53.620 55.574 -1.954 17838 6812 1 9 . 1 1 20 20 LEU CB C 289 45.840 45.840 43.410 2.430 17838 6813 1 9 . 1 1 20 20 LEU H H 289 9.260 9.260 9.077 0.183 17838 6814 1 9 . 1 1 21 21 THR N N 290 124.180 124.180 118.654 5.526 17838 6815 1 9 . 1 1 21 21 THR HA H 290 5.260 5.260 4.842 0.418 17838 6816 1 9 . 1 1 21 21 THR C C 290 173.650 173.650 173.841 -0.191 17838 6817 1 9 . 1 1 21 21 THR CA C 290 62.070 62.070 62.038 0.032 17838 6818 1 9 . 1 1 21 21 THR CB C 290 70.920 70.920 68.854 2.066 17838 6819 1 9 . 1 1 21 21 THR H H 290 9.770 9.770 8.444 1.326 17838 6820 1 9 . 1 1 22 22 VAL N N 291 129.970 129.970 127.852 2.118 17838 6821 1 9 . 1 1 22 22 VAL HA H 291 5.010 5.010 4.376 0.634 17838 6822 1 9 . 1 1 22 22 VAL C C 291 174.510 174.510 175.449 -0.939 17838 6823 1 9 . 1 1 22 22 VAL CA C 291 59.970 59.970 62.311 -2.341 17838 6824 1 9 . 1 1 22 22 VAL CB C 291 34.900 34.900 32.003 2.897 17838 6825 1 9 . 1 1 22 22 VAL H H 291 9.510 9.510 8.518 0.992 17838 6826 1 9 . 1 1 23 23 VAL N N 292 125.670 125.670 125.723 -0.053 17838 6827 1 9 . 1 1 23 23 VAL HA H 292 4.830 4.830 5.250 -0.420 17838 6828 1 9 . 1 1 23 23 VAL C C 292 177.610 177.610 175.165 2.445 17838 6829 1 9 . 1 1 23 23 VAL CA C 292 60.370 60.370 59.926 0.444 17838 6830 1 9 . 1 1 23 23 VAL CB C 292 32.230 32.230 33.291 -1.061 17838 6831 1 9 . 1 1 23 23 VAL H H 292 8.650 8.650 8.176 0.474 17838 6832 1 9 . 1 1 24 24 ILE N N 293 125.630 125.630 128.004 -2.374 17838 6833 1 9 . 1 1 24 24 ILE HA H 293 4.010 4.010 4.416 -0.406 17838 6834 1 9 . 1 1 24 24 ILE C C 293 175.140 175.140 176.001 -0.861 17838 6835 1 9 . 1 1 24 24 ILE CA C 293 58.560 58.560 61.172 -2.612 17838 6836 1 9 . 1 1 24 24 ILE CB C 293 34.580 34.580 37.475 -2.895 17838 6837 1 9 . 1 1 24 24 ILE H H 293 9.100 9.100 8.720 0.380 17838 6838 1 9 . 1 1 25 25 LEU N N 294 130.570 130.570 129.173 1.397 17838 6839 1 9 . 1 1 25 25 LEU HA H 294 4.110 4.110 4.278 -0.168 17838 6840 1 9 . 1 1 25 25 LEU C C 294 175.250 175.250 176.955 -1.705 17838 6841 1 9 . 1 1 25 25 LEU CA C 294 58.210 58.210 57.318 0.892 17838 6842 1 9 . 1 1 25 25 LEU CB C 294 41.470 41.470 42.417 -0.947 17838 6843 1 9 . 1 1 25 25 LEU H H 294 8.260 8.260 8.370 -0.110 17838 6844 1 9 . 1 1 26 26 GLU N N 295 111.970 111.970 111.947 0.023 17838 6845 1 9 . 1 1 26 26 GLU HA H 295 5.050 5.050 5.170 -0.120 17838 6846 1 9 . 1 1 26 26 GLU C C 295 172.250 172.250 174.694 -2.444 17838 6847 1 9 . 1 1 26 26 GLU CA C 295 54.970 54.970 54.862 0.108 17838 6848 1 9 . 1 1 26 26 GLU CB C 295 32.990 32.990 33.421 -0.431 17838 6849 1 9 . 1 1 26 26 GLU H H 295 7.490 7.490 7.748 -0.258 17838 6850 1 9 . 1 1 27 27 ALA N N 296 121.530 121.530 119.952 1.578 17838 6851 1 9 . 1 1 27 27 ALA HA H 296 5.550 5.550 4.693 0.857 17838 6852 1 9 . 1 1 27 27 ALA C C 296 174.560 174.560 175.493 -0.933 17838 6853 1 9 . 1 1 27 27 ALA CA C 296 50.780 50.780 51.912 -1.132 17838 6854 1 9 . 1 1 27 27 ALA CB C 296 22.690 22.690 22.471 0.219 17838 6855 1 9 . 1 1 27 27 ALA H H 296 9.170 9.170 8.550 0.620 17838 6856 1 9 . 1 1 28 28 LYS N N 297 116.690 116.690 119.860 -3.170 17838 6857 1 9 . 1 1 28 28 LYS HA H 297 5.380 5.380 4.790 0.590 17838 6858 1 9 . 1 1 28 28 LYS C C 297 174.200 174.200 175.959 -1.759 17838 6859 1 9 . 1 1 28 28 LYS CA C 297 54.970 54.970 55.590 -0.620 17838 6860 1 9 . 1 1 28 28 LYS CB C 297 37.660 37.660 32.151 5.509 17838 6861 1 9 . 1 1 28 28 LYS H H 297 9.190 9.190 8.660 0.530 17838 6862 1 9 . 1 1 29 29 ASN N N 298 115.540 115.540 115.903 -0.363 17838 6863 1 9 . 1 1 29 29 ASN HA H 298 4.150 4.150 4.848 -0.698 17838 6864 1 9 . 1 1 29 29 ASN C C 298 173.850 173.850 175.505 -1.655 17838 6865 1 9 . 1 1 29 29 ASN CA C 298 53.600 53.600 52.864 0.736 17838 6866 1 9 . 1 1 29 29 ASN CB C 298 37.000 37.000 40.078 -3.078 17838 6867 1 9 . 1 1 29 29 ASN H H 298 8.640 8.640 8.367 0.273 17838 6868 1 9 . 1 1 30 30 LEU N N 299 114.360 114.360 123.131 -8.771 17838 6869 1 9 . 1 1 30 30 LEU HA H 299 4.500 4.500 4.505 -0.005 17838 6870 1 9 . 1 1 30 30 LEU C C 299 174.750 174.750 175.474 -0.724 17838 6871 1 9 . 1 1 30 30 LEU CA C 299 55.010 55.010 53.752 1.258 17838 6872 1 9 . 1 1 30 30 LEU CB C 299 42.820 42.820 39.821 2.999 17838 6873 1 9 . 1 1 30 30 LEU H H 299 8.210 8.210 7.728 0.482 17838 6874 1 9 . 1 1 31 31 LYS N N 300 119.660 119.660 123.359 -3.699 17838 6875 1 9 . 1 1 31 31 LYS HA H 300 3.900 3.900 4.206 -0.306 17838 6876 1 9 . 1 1 31 31 LYS C C 300 175.130 175.130 176.034 -0.904 17838 6877 1 9 . 1 1 31 31 LYS CA C 300 56.630 56.630 56.168 0.462 17838 6878 1 9 . 1 1 31 31 LYS CB C 300 35.060 35.060 33.579 1.481 17838 6879 1 9 . 1 1 31 31 LYS H H 300 6.830 6.830 7.736 -0.906 17838 6880 1 9 . 1 1 32 32 LYS N N 301 124.550 124.550 124.459 0.091 17838 6881 1 9 . 1 1 32 32 LYS HA H 301 3.760 3.760 4.248 -0.488 17838 6882 1 9 . 1 1 32 32 LYS C C 301 175.590 175.590 176.933 -1.343 17838 6883 1 9 . 1 1 32 32 LYS CA C 301 56.900 56.900 57.856 -0.956 17838 6884 1 9 . 1 1 32 32 LYS CB C 301 32.990 32.990 31.321 1.669 17838 6885 1 9 . 1 1 32 32 LYS H H 301 8.060 8.060 8.597 -0.537 17838 6886 1 9 . 1 1 33 33 MET N N 302 122.790 122.790 120.815 1.975 17838 6887 1 9 . 1 1 33 33 MET HA H 302 4.720 4.720 4.564 0.156 17838 6888 1 9 . 1 1 33 33 MET C C 302 176.510 176.510 176.639 -0.129 17838 6889 1 9 . 1 1 33 33 MET CA C 302 53.860 53.860 55.686 -1.826 17838 6890 1 9 . 1 1 33 33 MET CB C 302 32.590 32.590 33.629 -1.039 17838 6891 1 9 . 1 1 33 33 MET H H 302 7.970 7.970 8.259 -0.289 17838 6892 1 9 . 1 1 34 34 ASP N N 303 124.630 124.630 122.981 1.649 17838 6893 1 9 . 1 1 34 34 ASP HA H 303 5.030 5.030 4.636 0.394 17838 6894 1 9 . 1 1 34 34 ASP CA C 303 52.810 52.810 54.349 -1.539 17838 6895 1 9 . 1 1 34 34 ASP CB C 303 41.950 41.950 42.285 -0.335 17838 6896 1 9 . 1 1 34 34 ASP H H 303 8.080 8.080 7.681 0.399 17838 6897 1 9 . 1 1 35 35 VAL N N 304 125.910 125.910 125.649 0.261 17838 6898 1 9 . 1 1 35 35 VAL HA H 304 3.690 3.690 3.941 -0.251 17838 6899 1 9 . 1 1 35 35 VAL C C 304 176.820 176.820 176.933 -0.113 17838 6900 1 9 . 1 1 35 35 VAL CA C 304 64.750 64.750 63.330 1.420 17838 6901 1 9 . 1 1 35 35 VAL CB C 304 31.120 31.120 31.282 -0.162 17838 6902 1 9 . 1 1 35 35 VAL H H 304 8.760 8.760 8.479 0.281 17838 6903 1 9 . 1 1 36 36 GLY N N 305 115.560 115.560 116.262 -0.702 17838 6904 1 9 . 1 1 36 36 GLY C C 305 174.160 174.160 174.395 -0.235 17838 6905 1 9 . 1 1 36 36 GLY CA C 305 45.740 45.740 44.851 0.889 17838 6906 1 9 . 1 1 36 36 GLY H H 305 8.830 8.830 8.355 0.475 17838 6907 1 9 . 1 1 37 37 GLY N N 306 109.040 109.040 109.215 -0.175 17838 6908 1 9 . 1 1 37 37 GLY C C 306 173.030 173.030 173.098 -0.068 17838 6909 1 9 . 1 1 37 37 GLY CA C 306 45.040 45.040 44.815 0.226 17838 6910 1 9 . 1 1 37 37 GLY H H 306 7.690 7.690 8.003 -0.313 17838 6911 1 9 . 1 1 38 38 LEU N N 307 124.610 124.610 118.010 6.600 17838 6912 1 9 . 1 1 38 38 LEU HA H 307 4.580 4.580 4.536 0.044 17838 6913 1 9 . 1 1 38 38 LEU CA C 307 53.470 53.470 54.892 -1.422 17838 6914 1 9 . 1 1 38 38 LEU CB C 307 42.060 42.060 43.061 -1.001 17838 6915 1 9 . 1 1 38 38 LEU H H 307 8.410 8.410 8.299 0.111 17838 6916 1 9 . 1 1 39 39 SER N N 308 115.270 115.270 113.412 1.858 17838 6917 1 9 . 1 1 39 39 SER HA H 308 4.490 4.490 4.677 -0.187 17838 6918 1 9 . 1 1 39 39 SER CA C 308 57.250 57.250 57.719 -0.469 17838 6919 1 9 . 1 1 39 39 SER CB C 308 68.290 68.290 66.243 2.047 17838 6920 1 9 . 1 1 39 39 SER H H 308 7.080 7.080 8.151 -1.071 17838 6921 1 9 . 1 1 40 40 ASP N N 309 121.280 121.280 122.138 -0.858 17838 6922 1 9 . 1 1 40 40 ASP HA H 309 5.880 5.880 5.266 0.614 17838 6923 1 9 . 1 1 40 40 ASP CA C 309 52.000 52.000 51.786 0.214 17838 6924 1 9 . 1 1 40 40 ASP CB C 309 42.350 42.350 43.169 -0.819 17838 6925 1 9 . 1 1 40 40 ASP H H 309 9.270 9.270 9.102 0.168 17838 6926 1 9 . 1 1 41 41 PRO HA H 310 5.680 5.680 4.454 1.226 17838 6927 1 9 . 1 1 41 41 PRO C C 310 179.050 179.050 175.766 3.284 17838 6928 1 9 . 1 1 41 41 PRO CA C 310 62.970 62.970 62.624 0.346 17838 6929 1 9 . 1 1 41 41 PRO CB C 310 32.940 32.940 32.569 0.371 17838 6930 1 9 . 1 1 42 42 TYR N N 311 122.860 122.860 123.924 -1.064 17838 6931 1 9 . 1 1 42 42 TYR HA H 311 4.740 4.740 4.589 0.151 17838 6932 1 9 . 1 1 42 42 TYR C C 311 170.780 170.780 172.821 -2.041 17838 6933 1 9 . 1 1 42 42 TYR CA C 311 55.640 55.640 57.889 -2.249 17838 6934 1 9 . 1 1 42 42 TYR CB C 311 41.950 41.950 41.509 0.441 17838 6935 1 9 . 1 1 42 42 TYR H H 311 9.130 9.130 7.860 1.270 17838 6936 1 9 . 1 1 43 43 VAL N N 312 120.460 120.460 121.638 -1.178 17838 6937 1 9 . 1 1 43 43 VAL HA H 312 4.840 4.840 5.062 -0.222 17838 6938 1 9 . 1 1 43 43 VAL C C 312 174.430 174.430 173.186 1.244 17838 6939 1 9 . 1 1 43 43 VAL CA C 312 60.110 60.110 58.600 1.510 17838 6940 1 9 . 1 1 43 43 VAL CB C 312 33.430 33.430 36.351 -2.921 17838 6941 1 9 . 1 1 43 43 VAL H H 312 8.570 8.570 7.909 0.661 17838 6942 1 9 . 1 1 44 44 LYS N N 313 125.500 125.500 115.258 10.242 17838 6943 1 9 . 1 1 44 44 LYS HA H 313 4.840 4.840 4.472 0.368 17838 6944 1 9 . 1 1 44 44 LYS C C 313 174.300 174.300 173.877 0.423 17838 6945 1 9 . 1 1 44 44 LYS CA C 313 54.680 54.680 55.209 -0.529 17838 6946 1 9 . 1 1 44 44 LYS CB C 313 36.140 36.140 35.656 0.484 17838 6947 1 9 . 1 1 44 44 LYS H H 313 9.050 9.050 7.935 1.115 17838 6948 1 9 . 1 1 45 45 ILE N N 314 123.760 123.760 121.567 2.193 17838 6949 1 9 . 1 1 45 45 ILE HA H 314 4.780 4.780 4.405 0.375 17838 6950 1 9 . 1 1 45 45 ILE C C 314 174.700 174.700 174.014 0.686 17838 6951 1 9 . 1 1 45 45 ILE CA C 314 60.050 60.050 59.420 0.629 17838 6952 1 9 . 1 1 45 45 ILE CB C 314 41.800 41.800 41.326 0.474 17838 6953 1 9 . 1 1 45 45 ILE H H 314 8.770 8.770 8.591 0.179 17838 6954 1 9 . 1 1 46 46 HIS N N 315 122.820 122.820 124.834 -2.014 17838 6955 1 9 . 1 1 46 46 HIS HA H 315 5.340 5.340 4.865 0.475 17838 6956 1 9 . 1 1 46 46 HIS C C 315 173.540 173.540 174.197 -0.657 17838 6957 1 9 . 1 1 46 46 HIS CA C 315 54.590 54.590 54.528 0.062 17838 6958 1 9 . 1 1 46 46 HIS CB C 315 34.280 34.280 32.116 2.164 17838 6959 1 9 . 1 1 46 46 HIS H H 315 9.070 9.070 8.915 0.155 17838 6960 1 9 . 1 1 47 47 LEU N N 316 124.780 124.780 121.473 3.307 17838 6961 1 9 . 1 1 47 47 LEU HA H 316 4.760 4.760 4.950 -0.190 17838 6962 1 9 . 1 1 47 47 LEU C C 316 174.720 174.720 175.473 -0.753 17838 6963 1 9 . 1 1 47 47 LEU CA C 316 53.480 53.480 53.801 -0.321 17838 6964 1 9 . 1 1 47 47 LEU CB C 316 44.010 44.010 42.726 1.284 17838 6965 1 9 . 1 1 47 47 LEU H H 316 8.350 8.350 8.044 0.306 17838 6966 1 9 . 1 1 48 48 MET N N 317 125.550 125.550 122.102 3.448 17838 6967 1 9 . 1 1 48 48 MET HA H 317 5.360 5.360 5.058 0.302 17838 6968 1 9 . 1 1 48 48 MET C C 317 174.720 174.720 175.317 -0.597 17838 6969 1 9 . 1 1 48 48 MET CA C 317 53.490 53.490 54.601 -1.111 17838 6970 1 9 . 1 1 48 48 MET CB C 317 35.800 35.800 33.958 1.842 17838 6971 1 9 . 1 1 48 48 MET H H 317 9.240 9.240 8.984 0.256 17838 6972 1 9 . 1 1 49 49 GLN N N 318 118.130 118.130 124.064 -5.934 17838 6973 1 9 . 1 1 49 49 GLN HA H 318 4.350 4.350 4.424 -0.074 17838 6974 1 9 . 1 1 49 49 GLN C C 318 175.850 175.850 176.531 -0.681 17838 6975 1 9 . 1 1 49 49 GLN CA C 318 56.330 56.330 55.754 0.577 17838 6976 1 9 . 1 1 49 49 GLN CB C 318 32.240 32.240 29.968 2.272 17838 6977 1 9 . 1 1 49 49 GLN H H 318 8.510 8.510 8.219 0.291 17838 6978 1 9 . 1 1 50 50 ASN N N 319 127.590 127.590 125.162 2.428 17838 6979 1 9 . 1 1 50 50 ASN HA H 319 4.250 4.250 4.435 -0.185 17838 6980 1 9 . 1 1 50 50 ASN C C 319 174.650 174.650 175.031 -0.381 17838 6981 1 9 . 1 1 50 50 ASN CA C 319 54.180 54.180 53.864 0.316 17838 6982 1 9 . 1 1 50 50 ASN CB C 319 37.640 37.640 38.224 -0.584 17838 6983 1 9 . 1 1 50 50 ASN H H 319 9.430 9.430 9.357 0.073 17838 6984 1 9 . 1 1 51 51 GLY N N 320 104.030 104.030 102.984 1.046 17838 6985 1 9 . 1 1 51 51 GLY C C 320 173.160 173.160 173.515 -0.355 17838 6986 1 9 . 1 1 51 51 GLY CA C 320 45.480 45.480 45.557 -0.077 17838 6987 1 9 . 1 1 51 51 GLY H H 320 8.950 8.950 8.165 0.785 17838 6988 1 9 . 1 1 52 52 LYS N N 321 120.220 120.220 120.561 -0.341 17838 6989 1 9 . 1 1 52 52 LYS HA H 321 4.400 4.400 4.669 -0.269 17838 6990 1 9 . 1 1 52 52 LYS C C 321 175.370 175.370 176.191 -0.821 17838 6991 1 9 . 1 1 52 52 LYS CA C 321 54.340 54.340 53.917 0.423 17838 6992 1 9 . 1 1 52 52 LYS CB C 321 34.230 34.230 34.208 0.022 17838 6993 1 9 . 1 1 52 52 LYS H H 321 7.650 7.650 7.782 -0.132 17838 6994 1 9 . 1 1 53 53 ARG N N 322 123.540 123.540 125.118 -1.578 17838 6995 1 9 . 1 1 53 53 ARG HA H 322 4.410 4.410 4.232 0.178 17838 6996 1 9 . 1 1 53 53 ARG C C 322 175.650 175.650 176.011 -0.361 17838 6997 1 9 . 1 1 53 53 ARG CA C 322 56.620 56.620 57.130 -0.510 17838 6998 1 9 . 1 1 53 53 ARG CB C 322 29.960 29.960 28.907 1.053 17838 6999 1 9 . 1 1 53 53 ARG H H 322 8.700 8.700 8.837 -0.137 17838 7000 1 9 . 1 1 54 54 LEU N N 323 127.220 127.220 127.355 -0.135 17838 7001 1 9 . 1 1 54 54 LEU HA H 323 4.350 4.350 4.280 0.070 17838 7002 1 9 . 1 1 54 54 LEU C C 323 177.380 177.380 176.684 0.696 17838 7003 1 9 . 1 1 54 54 LEU CA C 323 56.230 56.230 56.089 0.141 17838 7004 1 9 . 1 1 54 54 LEU CB C 323 42.950 42.950 43.013 -0.063 17838 7005 1 9 . 1 1 54 54 LEU H H 323 9.270 9.270 8.512 0.758 17838 7006 1 9 . 1 1 55 55 LYS N N 324 115.210 115.210 115.455 -0.245 17838 7007 1 9 . 1 1 55 55 LYS HA H 324 4.670 4.670 4.588 0.082 17838 7008 1 9 . 1 1 55 55 LYS C C 324 174.480 174.480 174.153 0.327 17838 7009 1 9 . 1 1 55 55 LYS CA C 324 54.460 54.460 55.470 -1.010 17838 7010 1 9 . 1 1 55 55 LYS CB C 324 37.580 37.580 36.450 1.130 17838 7011 1 9 . 1 1 55 55 LYS H H 324 7.410 7.410 7.448 -0.038 17838 7012 1 9 . 1 1 56 56 LYS N N 325 122.420 122.420 118.761 3.659 17838 7013 1 9 . 1 1 56 56 LYS HA H 325 5.320 5.320 4.750 0.570 17838 7014 1 9 . 1 1 56 56 LYS C C 325 174.700 174.700 175.204 -0.504 17838 7015 1 9 . 1 1 56 56 LYS CA C 325 54.970 54.970 55.059 -0.090 17838 7016 1 9 . 1 1 56 56 LYS CB C 325 35.730 35.730 35.252 0.478 17838 7017 1 9 . 1 1 56 56 LYS H H 325 8.470 8.470 8.239 0.231 17838 7018 1 9 . 1 1 57 57 LYS N N 326 122.740 122.740 122.875 -0.135 17838 7019 1 9 . 1 1 57 57 LYS HA H 326 4.630 4.630 4.687 -0.057 17838 7020 1 9 . 1 1 57 57 LYS C C 326 174.330 174.330 174.795 -0.465 17838 7021 1 9 . 1 1 57 57 LYS CA C 326 53.560 53.560 55.877 -2.317 17838 7022 1 9 . 1 1 57 57 LYS CB C 326 37.960 37.960 35.525 2.435 17838 7023 1 9 . 1 1 57 57 LYS H H 326 8.850 8.850 8.882 -0.032 17838 7024 1 9 . 1 1 58 58 LYS N N 327 118.070 118.070 123.422 -5.352 17838 7025 1 9 . 1 1 58 58 LYS HA H 327 5.380 5.380 4.911 0.469 17838 7026 1 9 . 1 1 58 58 LYS C C 327 174.810 174.810 175.882 -1.072 17838 7027 1 9 . 1 1 58 58 LYS CA C 327 55.120 55.120 55.180 -0.060 17838 7028 1 9 . 1 1 58 58 LYS CB C 327 36.900 36.900 33.901 2.999 17838 7029 1 9 . 1 1 58 58 LYS H H 327 8.310 8.310 8.431 -0.121 17838 7030 1 9 . 1 1 59 59 THR N N 328 110.590 110.590 113.717 -3.127 17838 7031 1 9 . 1 1 59 59 THR HA H 328 4.850 4.850 4.762 0.088 17838 7032 1 9 . 1 1 59 59 THR C C 328 175.550 175.550 173.176 2.374 17838 7033 1 9 . 1 1 59 59 THR CA C 328 60.950 60.950 60.431 0.519 17838 7034 1 9 . 1 1 59 59 THR CB C 328 73.290 73.290 70.727 2.563 17838 7035 1 9 . 1 1 59 59 THR H H 328 8.650 8.650 7.873 0.777 17838 7036 1 9 . 1 1 60 60 THR N N 329 109.520 109.520 119.383 -9.863 17838 7037 1 9 . 1 1 60 60 THR HA H 329 4.120 4.120 4.691 -0.571 17838 7038 1 9 . 1 1 60 60 THR C C 329 173.570 173.570 172.886 0.684 17838 7039 1 9 . 1 1 60 60 THR CA C 329 62.710 62.710 61.571 1.139 17838 7040 1 9 . 1 1 60 60 THR CB C 329 70.920 70.920 70.573 0.346 17838 7041 1 9 . 1 1 60 60 THR H H 329 9.420 9.420 8.548 0.872 17838 7042 1 9 . 1 1 61 61 ILE N N 330 119.070 119.070 120.783 -1.713 17838 7043 1 9 . 1 1 61 61 ILE HA H 330 4.230 4.230 3.882 0.348 17838 7044 1 9 . 1 1 61 61 ILE C C 330 177.050 177.050 174.944 2.106 17838 7045 1 9 . 1 1 61 61 ILE CA C 330 61.060 61.060 59.308 1.752 17838 7046 1 9 . 1 1 61 61 ILE CB C 330 40.200 40.200 41.300 -1.100 17838 7047 1 9 . 1 1 61 61 ILE H H 330 8.060 8.060 8.246 -0.186 17838 7048 1 9 . 1 1 62 62 LYS N N 331 127.440 127.440 124.402 3.038 17838 7049 1 9 . 1 1 62 62 LYS HA H 331 4.620 4.620 4.574 0.046 17838 7050 1 9 . 1 1 62 62 LYS C C 331 174.080 174.080 176.882 -2.802 17838 7051 1 9 . 1 1 62 62 LYS CA C 331 52.170 52.170 55.536 -3.366 17838 7052 1 9 . 1 1 62 62 LYS CB C 331 31.610 31.610 33.046 -1.436 17838 7053 1 9 . 1 1 62 62 LYS H H 331 7.970 7.970 8.980 -1.010 17838 7054 1 9 . 1 1 63 63 LYS N N 332 118.220 118.220 123.214 -4.994 17838 7055 1 9 . 1 1 63 63 LYS HA H 332 4.630 4.630 4.246 0.384 17838 7056 1 9 . 1 1 63 63 LYS C C 332 177.270 177.270 176.863 0.407 17838 7057 1 9 . 1 1 63 63 LYS CA C 332 55.310 55.310 56.279 -0.969 17838 7058 1 9 . 1 1 63 63 LYS CB C 332 33.550 33.550 33.013 0.537 17838 7059 1 9 . 1 1 63 63 LYS H H 332 8.000 8.000 8.465 -0.465 17838 7060 1 9 . 1 1 64 64 ASN N N 333 122.920 122.920 119.305 3.615 17838 7061 1 9 . 1 1 64 64 ASN HA H 333 4.250 4.250 4.486 -0.236 17838 7062 1 9 . 1 1 64 64 ASN C C 333 173.470 173.470 173.605 -0.135 17838 7063 1 9 . 1 1 64 64 ASN CA C 333 54.030 54.030 54.541 -0.511 17838 7064 1 9 . 1 1 64 64 ASN CB C 333 37.910 37.910 37.544 0.366 17838 7065 1 9 . 1 1 64 64 ASN H H 333 9.710 9.710 9.403 0.307 17838 7066 1 9 . 1 1 65 65 THR N N 334 112.090 112.090 112.728 -0.638 17838 7067 1 9 . 1 1 65 65 THR HA H 334 4.600 4.600 4.609 -0.009 17838 7068 1 9 . 1 1 65 65 THR C C 334 170.000 170.000 173.907 -3.907 17838 7069 1 9 . 1 1 65 65 THR CA C 334 60.580 60.580 60.761 -0.181 17838 7070 1 9 . 1 1 65 65 THR CB C 334 68.600 68.600 71.580 -2.980 17838 7071 1 9 . 1 1 65 65 THR H H 334 8.630 8.630 7.591 1.039 17838 7072 1 9 . 1 1 66 66 LEU N N 335 121.880 121.880 123.923 -2.043 17838 7073 1 9 . 1 1 66 66 LEU HA H 335 4.500 4.500 4.520 -0.020 17838 7074 1 9 . 1 1 66 66 LEU C C 335 173.970 173.970 176.332 -2.362 17838 7075 1 9 . 1 1 66 66 LEU CA C 335 52.790 52.790 56.383 -3.593 17838 7076 1 9 . 1 1 66 66 LEU CB C 335 40.560 40.560 42.650 -2.090 17838 7077 1 9 . 1 1 66 66 LEU H H 335 8.530 8.530 8.545 -0.015 17838 7078 1 9 . 1 1 67 67 ASN N N 336 115.420 115.420 116.716 -1.296 17838 7079 1 9 . 1 1 67 67 ASN HA H 336 5.500 5.500 5.528 -0.028 17838 7080 1 9 . 1 1 67 67 ASN CA C 336 51.190 51.190 50.205 0.985 17838 7081 1 9 . 1 1 67 67 ASN CB C 336 41.620 41.620 39.758 1.862 17838 7082 1 9 . 1 1 67 67 ASN H H 336 8.540 8.540 7.943 0.597 17838 7083 1 9 . 1 1 68 68 PRO HA H 337 4.170 4.170 4.422 -0.252 17838 7084 1 9 . 1 1 68 68 PRO C C 337 173.480 173.480 175.393 -1.913 17838 7085 1 9 . 1 1 68 68 PRO CA C 337 62.710 62.710 63.416 -0.706 17838 7086 1 9 . 1 1 68 68 PRO CB C 337 32.610 32.610 30.991 1.619 17838 7087 1 9 . 1 1 69 69 TYR N N 338 120.550 120.550 126.103 -5.553 17838 7088 1 9 . 1 1 69 69 TYR HA H 338 4.470 4.470 4.845 -0.375 17838 7089 1 9 . 1 1 69 69 TYR C C 338 174.390 174.390 173.728 0.662 17838 7090 1 9 . 1 1 69 69 TYR CA C 338 57.740 57.740 56.945 0.795 17838 7091 1 9 . 1 1 69 69 TYR CB C 338 40.530 40.530 41.659 -1.129 17838 7092 1 9 . 1 1 69 69 TYR H H 338 8.060 8.060 8.071 -0.011 17838 7093 1 9 . 1 1 70 70 TYR N N 339 122.140 122.140 127.079 -4.939 17838 7094 1 9 . 1 1 70 70 TYR HA H 339 4.400 4.400 4.110 0.290 17838 7095 1 9 . 1 1 70 70 TYR C C 339 175.190 175.190 173.969 1.221 17838 7096 1 9 . 1 1 70 70 TYR CA C 339 59.040 59.040 58.690 0.350 17838 7097 1 9 . 1 1 70 70 TYR CB C 339 40.290 40.290 41.567 -1.277 17838 7098 1 9 . 1 1 70 70 TYR H H 339 8.080 8.080 7.650 0.430 17838 7099 1 9 . 1 1 71 71 ASN N N 340 120.260 120.260 119.290 0.970 17838 7100 1 9 . 1 1 71 71 ASN HA H 340 4.080 4.080 4.609 -0.529 17838 7101 1 9 . 1 1 71 71 ASN C C 340 173.510 173.510 173.895 -0.385 17838 7102 1 9 . 1 1 71 71 ASN CA C 340 53.960 53.960 54.040 -0.080 17838 7103 1 9 . 1 1 71 71 ASN CB C 340 37.450 37.450 37.243 0.207 17838 7104 1 9 . 1 1 71 71 ASN H H 340 8.130 8.130 8.049 0.081 17838 7105 1 9 . 1 1 72 72 GLU N N 341 117.370 117.370 120.988 -3.618 17838 7106 1 9 . 1 1 72 72 GLU HA H 341 4.300 4.300 4.552 -0.252 17838 7107 1 9 . 1 1 72 72 GLU C C 341 173.000 173.000 175.113 -2.113 17838 7108 1 9 . 1 1 72 72 GLU CA C 341 55.470 55.470 55.089 0.381 17838 7109 1 9 . 1 1 72 72 GLU CB C 341 33.320 33.320 33.359 -0.039 17838 7110 1 9 . 1 1 72 72 GLU H H 341 7.530 7.530 7.864 -0.334 17838 7111 1 9 . 1 1 73 73 SER N N 342 117.330 117.330 117.655 -0.325 17838 7112 1 9 . 1 1 73 73 SER HA H 342 4.740 4.740 4.650 0.090 17838 7113 1 9 . 1 1 73 73 SER C C 342 172.930 172.930 173.706 -0.776 17838 7114 1 9 . 1 1 73 73 SER CA C 342 56.810 56.810 57.275 -0.465 17838 7115 1 9 . 1 1 73 73 SER CB C 342 64.720 64.720 63.437 1.284 17838 7116 1 9 . 1 1 73 73 SER H H 342 8.010 8.010 8.556 -0.546 17838 7117 1 9 . 1 1 74 74 PHE N N 343 123.520 123.520 126.913 -3.393 17838 7118 1 9 . 1 1 74 74 PHE HA H 343 4.480 4.480 4.660 -0.180 17838 7119 1 9 . 1 1 74 74 PHE C C 343 173.480 173.480 175.378 -1.898 17838 7120 1 9 . 1 1 74 74 PHE CA C 343 57.280 57.280 57.333 -0.053 17838 7121 1 9 . 1 1 74 74 PHE CB C 343 43.130 43.130 38.784 4.346 17838 7122 1 9 . 1 1 74 74 PHE H H 343 8.780 8.780 9.028 -0.248 17838 7123 1 9 . 1 1 75 75 SER N N 344 116.700 116.700 119.183 -2.483 17838 7124 1 9 . 1 1 75 75 SER HA H 344 5.480 5.480 5.643 -0.163 17838 7125 1 9 . 1 1 75 75 SER C C 344 172.170 172.170 174.060 -1.890 17838 7126 1 9 . 1 1 75 75 SER CA C 344 57.210 57.210 57.259 -0.049 17838 7127 1 9 . 1 1 75 75 SER CB C 344 66.140 66.140 64.912 1.228 17838 7128 1 9 . 1 1 75 75 SER H H 344 8.430 8.430 8.538 -0.108 17838 7129 1 9 . 1 1 76 76 PHE N N 345 119.990 119.990 121.290 -1.300 17838 7130 1 9 . 1 1 76 76 PHE HA H 345 4.800 4.800 4.678 0.122 17838 7131 1 9 . 1 1 76 76 PHE C C 345 173.440 173.440 173.212 0.228 17838 7132 1 9 . 1 1 76 76 PHE CA C 345 56.080 56.080 56.697 -0.617 17838 7133 1 9 . 1 1 76 76 PHE CB C 345 43.520 43.520 42.685 0.835 17838 7134 1 9 . 1 1 76 76 PHE H H 345 9.440 9.440 8.539 0.901 17838 7135 1 9 . 1 1 77 77 GLU N N 346 124.120 124.120 128.268 -4.148 17838 7136 1 9 . 1 1 77 77 GLU HA H 346 4.890 4.890 4.498 0.392 17838 7137 1 9 . 1 1 77 77 GLU C C 346 175.510 175.510 175.284 0.226 17838 7138 1 9 . 1 1 77 77 GLU CA C 346 55.880 55.880 54.998 0.882 17838 7139 1 9 . 1 1 77 77 GLU CB C 346 29.220 29.220 28.986 0.234 17838 7140 1 9 . 1 1 77 77 GLU H H 346 9.000 9.000 8.709 0.291 17838 7141 1 9 . 1 1 78 78 VAL N N 347 125.140 125.140 118.261 6.879 17838 7142 1 9 . 1 1 78 78 VAL HA H 347 4.390 4.390 4.385 0.005 17838 7143 1 9 . 1 1 78 78 VAL CA C 347 59.350 59.350 58.164 1.186 17838 7144 1 9 . 1 1 78 78 VAL CB C 347 35.710 35.710 32.553 3.157 17838 7145 1 9 . 1 1 78 78 VAL H H 347 8.470 8.470 7.569 0.901 17838 7146 1 9 . 1 1 79 79 PRO HA H 348 4.550 4.550 4.485 0.065 17838 7147 1 9 . 1 1 79 79 PRO C C 348 177.330 177.330 177.948 -0.618 17838 7148 1 9 . 1 1 79 79 PRO CA C 348 62.850 62.850 63.163 -0.314 17838 7149 1 9 . 1 1 79 79 PRO CB C 348 32.870 32.870 31.702 1.168 17838 7150 1 9 . 1 1 80 80 PHE N N 349 125.590 125.590 119.692 5.898 17838 7151 1 9 . 1 1 80 80 PHE HA H 349 4.610 4.610 3.944 0.666 17838 7152 1 9 . 1 1 80 80 PHE C C 349 177.630 177.630 175.802 1.828 17838 7153 1 9 . 1 1 80 80 PHE CA C 349 61.050 61.050 59.979 1.071 17838 7154 1 9 . 1 1 80 80 PHE CB C 349 38.960 38.960 38.068 0.892 17838 7155 1 9 . 1 1 80 80 PHE H H 349 9.250 9.250 8.296 0.954 17838 7156 1 9 . 1 1 81 81 GLU N N 350 116.260 116.260 116.947 -0.687 17838 7157 1 9 . 1 1 81 81 GLU HA H 350 3.870 3.870 4.101 -0.231 17838 7158 1 9 . 1 1 81 81 GLU C C 350 176.960 176.960 176.883 0.077 17838 7159 1 9 . 1 1 81 81 GLU CA C 350 58.870 58.870 56.729 2.141 17838 7160 1 9 . 1 1 81 81 GLU CB C 350 28.590 28.590 28.561 0.029 17838 7161 1 9 . 1 1 81 81 GLU H H 350 9.120 9.120 7.943 1.177 17838 7162 1 9 . 1 1 82 82 GLN N N 351 116.390 116.390 119.103 -2.713 17838 7163 1 9 . 1 1 82 82 GLN HA H 351 4.300 4.300 4.215 0.085 17838 7164 1 9 . 1 1 82 82 GLN C C 351 177.670 177.670 177.401 0.269 17838 7165 1 9 . 1 1 82 82 GLN CA C 351 55.020 55.020 57.264 -2.244 17838 7166 1 9 . 1 1 82 82 GLN CB C 351 30.360 30.360 29.075 1.285 17838 7167 1 9 . 1 1 82 82 GLN H H 351 8.080 8.080 7.734 0.346 17838 7168 1 9 . 1 1 83 83 ILE N N 352 120.350 120.350 119.830 0.520 17838 7169 1 9 . 1 1 83 83 ILE HA H 352 3.900 3.900 3.799 0.101 17838 7170 1 9 . 1 1 83 83 ILE C C 352 174.820 174.820 176.840 -2.020 17838 7171 1 9 . 1 1 83 83 ILE CA C 352 60.850 60.850 64.571 -3.721 17838 7172 1 9 . 1 1 83 83 ILE CB C 352 38.610 38.610 37.874 0.736 17838 7173 1 9 . 1 1 83 83 ILE H H 352 7.110 7.110 7.237 -0.127 17838 7174 1 9 . 1 1 84 84 GLN N N 353 116.230 116.230 114.223 2.007 17838 7175 1 9 . 1 1 84 84 GLN HA H 353 4.290 4.290 4.273 0.017 17838 7176 1 9 . 1 1 84 84 GLN C C 353 176.520 176.520 175.734 0.786 17838 7177 1 9 . 1 1 84 84 GLN CA C 353 57.040 57.040 56.676 0.364 17838 7178 1 9 . 1 1 84 84 GLN CB C 353 27.700 27.700 27.792 -0.092 17838 7179 1 9 . 1 1 84 84 GLN H H 353 8.110 8.110 8.318 -0.208 17838 7180 1 9 . 1 1 85 85 LYS N N 354 114.900 114.900 116.801 -1.901 17838 7181 1 9 . 1 1 85 85 LYS HA H 354 4.010 4.010 4.455 -0.445 17838 7182 1 9 . 1 1 85 85 LYS C C 354 175.920 175.920 175.537 0.383 17838 7183 1 9 . 1 1 85 85 LYS CA C 354 55.090 55.090 56.122 -1.032 17838 7184 1 9 . 1 1 85 85 LYS CB C 354 33.610 33.610 34.951 -1.341 17838 7185 1 9 . 1 1 85 85 LYS H H 354 7.750 7.750 7.856 -0.106 17838 7186 1 9 . 1 1 86 86 VAL N N 355 112.960 112.960 116.332 -3.372 17838 7187 1 9 . 1 1 86 86 VAL HA H 355 4.810 4.810 4.254 0.556 17838 7188 1 9 . 1 1 86 86 VAL C C 355 174.780 174.780 174.274 0.506 17838 7189 1 9 . 1 1 86 86 VAL CA C 355 60.450 60.450 60.913 -0.463 17838 7190 1 9 . 1 1 86 86 VAL CB C 355 34.320 34.320 33.477 0.843 17838 7191 1 9 . 1 1 86 86 VAL H H 355 6.900 6.900 7.388 -0.488 17838 7192 1 9 . 1 1 87 87 GLN N N 356 118.230 118.230 122.508 -4.278 17838 7193 1 9 . 1 1 87 87 GLN HA H 356 4.370 4.370 4.729 -0.359 17838 7194 1 9 . 1 1 87 87 GLN C C 356 174.390 174.390 174.110 0.280 17838 7195 1 9 . 1 1 87 87 GLN CA C 356 54.410 54.410 55.071 -0.661 17838 7196 1 9 . 1 1 87 87 GLN CB C 356 30.820 30.820 30.599 0.221 17838 7197 1 9 . 1 1 87 87 GLN H H 356 8.560 8.560 8.368 0.192 17838 7198 1 9 . 1 1 88 88 VAL N N 357 122.080 122.080 127.125 -5.045 17838 7199 1 9 . 1 1 88 88 VAL HA H 357 4.580 4.580 4.808 -0.228 17838 7200 1 9 . 1 1 88 88 VAL C C 357 173.860 173.860 173.576 0.284 17838 7201 1 9 . 1 1 88 88 VAL CA C 357 61.190 61.190 60.123 1.067 17838 7202 1 9 . 1 1 88 88 VAL CB C 357 31.950 31.950 34.212 -2.262 17838 7203 1 9 . 1 1 88 88 VAL H H 357 8.300 8.300 8.971 -0.671 17838 7204 1 9 . 1 1 89 89 VAL N N 358 127.800 127.800 126.469 1.331 17838 7205 1 9 . 1 1 89 89 VAL HA H 358 4.270 4.270 5.111 -0.841 17838 7206 1 9 . 1 1 89 89 VAL C C 358 174.840 174.840 174.178 0.662 17838 7207 1 9 . 1 1 89 89 VAL CA C 358 61.240 61.240 59.102 2.139 17838 7208 1 9 . 1 1 89 89 VAL CB C 358 33.020 33.020 35.648 -2.628 17838 7209 1 9 . 1 1 89 89 VAL H H 358 9.010 9.010 9.052 -0.042 17838 7210 1 9 . 1 1 90 90 VAL N N 359 129.800 129.800 129.531 0.269 17838 7211 1 9 . 1 1 90 90 VAL HA H 359 4.490 4.490 4.233 0.257 17838 7212 1 9 . 1 1 90 90 VAL C C 359 173.580 173.580 175.317 -1.737 17838 7213 1 9 . 1 1 90 90 VAL CA C 359 61.480 61.480 61.132 0.348 17838 7214 1 9 . 1 1 90 90 VAL CB C 359 33.530 33.530 30.970 2.560 17838 7215 1 9 . 1 1 90 90 VAL H H 359 9.120 9.120 8.674 0.446 17838 7216 1 9 . 1 1 91 91 THR N N 360 122.290 122.290 124.976 -2.686 17838 7217 1 9 . 1 1 91 91 THR HA H 360 4.770 4.770 4.433 0.337 17838 7218 1 9 . 1 1 91 91 THR C C 360 173.010 173.010 173.778 -0.768 17838 7219 1 9 . 1 1 91 91 THR CA C 360 61.360 61.360 62.435 -1.075 17838 7220 1 9 . 1 1 91 91 THR CB C 360 70.860 70.860 68.527 2.333 17838 7221 1 9 . 1 1 91 91 THR H H 360 8.750 8.750 9.050 -0.300 17838 7222 1 9 . 1 1 92 92 VAL N N 361 125.180 125.180 128.570 -3.390 17838 7223 1 9 . 1 1 92 92 VAL HA H 361 4.670 4.670 3.937 0.733 17838 7224 1 9 . 1 1 92 92 VAL C C 361 174.220 174.220 174.278 -0.058 17838 7225 1 9 . 1 1 92 92 VAL CA C 361 61.000 61.000 62.645 -1.645 17838 7226 1 9 . 1 1 92 92 VAL CB C 361 31.960 31.960 32.195 -0.235 17838 7227 1 9 . 1 1 92 92 VAL H H 361 8.580 8.580 8.143 0.437 17838 7228 1 9 . 1 1 93 93 LEU N N 362 127.950 127.950 128.178 -0.228 17838 7229 1 9 . 1 1 93 93 LEU HA H 362 4.750 4.750 4.652 0.098 17838 7230 1 9 . 1 1 93 93 LEU C C 362 173.470 173.470 174.506 -1.036 17838 7231 1 9 . 1 1 93 93 LEU CA C 362 55.470 55.470 53.658 1.812 17838 7232 1 9 . 1 1 93 93 LEU CB C 362 44.440 44.440 46.800 -2.360 17838 7233 1 9 . 1 1 93 93 LEU H H 362 8.860 8.860 9.022 -0.162 17838 7234 1 9 . 1 1 94 94 ASP N N 363 116.580 116.580 116.700 -0.120 17838 7235 1 9 . 1 1 94 94 ASP HA H 363 4.810 4.810 5.161 -0.351 17838 7236 1 9 . 1 1 94 94 ASP C C 363 175.870 175.870 174.457 1.413 17838 7237 1 9 . 1 1 94 94 ASP CA C 363 52.020 52.020 53.033 -1.013 17838 7238 1 9 . 1 1 94 94 ASP CB C 363 44.160 44.160 44.381 -0.221 17838 7239 1 9 . 1 1 94 94 ASP H H 363 8.380 8.380 8.024 0.356 17838 7240 1 9 . 1 1 95 95 TYR N N 364 127.590 127.590 120.791 6.799 17838 7241 1 9 . 1 1 95 95 TYR HA H 364 4.310 4.310 4.772 -0.462 17838 7242 1 9 . 1 1 95 95 TYR C C 364 175.260 175.260 174.536 0.724 17838 7243 1 9 . 1 1 95 95 TYR CA C 364 59.750 59.750 54.934 4.816 17838 7244 1 9 . 1 1 95 95 TYR CB C 364 39.300 39.300 38.236 1.064 17838 7245 1 9 . 1 1 95 95 TYR H H 364 9.380 9.380 8.713 0.667 17838 7246 1 9 . 1 1 96 96 ASP N N 365 131.500 131.500 121.127 10.373 17838 7247 1 9 . 1 1 96 96 ASP HA H 365 4.590 4.590 4.331 0.259 17838 7248 1 9 . 1 1 96 96 ASP C C 365 172.480 172.480 175.992 -3.512 17838 7249 1 9 . 1 1 96 96 ASP CA C 365 52.630 52.630 55.907 -3.277 17838 7250 1 9 . 1 1 96 96 ASP CB C 365 41.910 41.910 41.300 0.610 17838 7251 1 9 . 1 1 96 96 ASP H H 365 7.800 7.800 8.031 -0.231 17838 7252 1 9 . 1 1 97 97 LYS N N 366 120.720 120.720 121.440 -0.720 17838 7253 1 9 . 1 1 97 97 LYS HA H 366 3.840 3.840 3.980 -0.140 17838 7254 1 9 . 1 1 97 97 LYS C C 366 176.440 176.440 175.712 0.728 17838 7255 1 9 . 1 1 97 97 LYS CA C 366 58.400 58.400 57.056 1.344 17838 7256 1 9 . 1 1 97 97 LYS CB C 366 33.030 33.030 30.421 2.609 17838 7257 1 9 . 1 1 97 97 LYS H H 366 8.030 8.030 8.713 -0.683 17838 7258 1 9 . 1 1 98 98 ILE N N 367 117.460 117.460 114.746 2.714 17838 7259 1 9 . 1 1 98 98 ILE HA H 367 4.080 4.080 3.744 0.336 17838 7260 1 9 . 1 1 98 98 ILE C C 367 176.200 176.200 175.556 0.644 17838 7261 1 9 . 1 1 98 98 ILE CA C 367 60.910 60.910 62.191 -1.281 17838 7262 1 9 . 1 1 98 98 ILE CB C 367 38.440 38.440 35.548 2.892 17838 7263 1 9 . 1 1 98 98 ILE H H 367 7.790 7.790 8.461 -0.671 17838 7264 1 9 . 1 1 99 99 GLY N N 368 113.730 113.730 111.040 2.690 17838 7265 1 9 . 1 1 99 99 GLY C C 368 173.460 173.460 172.691 0.769 17838 7266 1 9 . 1 1 99 99 GLY CA C 368 44.190 44.190 45.585 -1.395 17838 7267 1 9 . 1 1 99 99 GLY H H 368 8.160 8.160 7.736 0.424 17838 7268 1 9 . 1 1 100 100 LYS N N 369 119.980 119.980 121.323 -1.343 17838 7269 1 9 . 1 1 100 100 LYS HA H 369 4.260 4.260 4.773 -0.513 17838 7270 1 9 . 1 1 100 100 LYS C C 369 175.270 175.270 174.514 0.756 17838 7271 1 9 . 1 1 100 100 LYS CA C 369 56.030 56.030 55.532 0.498 17838 7272 1 9 . 1 1 100 100 LYS CB C 369 33.090 33.090 34.463 -1.373 17838 7273 1 9 . 1 1 100 100 LYS H H 369 8.020 8.020 8.306 -0.286 17838 7274 1 9 . 1 1 101 101 ASN N N 370 124.530 124.530 123.783 0.747 17838 7275 1 9 . 1 1 101 101 ASN HA H 370 5.040 5.040 4.964 0.076 17838 7276 1 9 . 1 1 101 101 ASN CA C 370 52.230 52.230 51.858 0.373 17838 7277 1 9 . 1 1 101 101 ASN CB C 370 38.490 38.490 41.474 -2.984 17838 7278 1 9 . 1 1 101 101 ASN H H 370 8.730 8.730 8.757 -0.027 17838 7279 1 9 . 1 1 102 102 ASP N N 371 123.520 123.520 117.778 5.742 17838 7280 1 9 . 1 1 102 102 ASP HA H 371 4.590 4.590 4.598 -0.008 17838 7281 1 9 . 1 1 102 102 ASP CA C 371 53.980 53.980 53.796 0.184 17838 7282 1 9 . 1 1 102 102 ASP CB C 371 42.940 42.940 43.032 -0.092 17838 7283 1 9 . 1 1 102 102 ASP H H 371 8.550 8.550 8.338 0.212 17838 7284 1 9 . 1 1 103 103 ALA N N 372 124.120 124.120 120.997 3.123 17838 7285 1 9 . 1 1 103 103 ALA HA H 372 4.210 4.210 4.177 0.033 17838 7286 1 9 . 1 1 103 103 ALA C C 372 177.140 177.140 176.700 0.440 17838 7287 1 9 . 1 1 103 103 ALA CA C 372 52.910 52.910 53.068 -0.158 17838 7288 1 9 . 1 1 103 103 ALA CB C 372 17.740 17.740 17.258 0.482 17838 7289 1 9 . 1 1 103 103 ALA H H 372 8.870 8.870 8.428 0.442 17838 7290 1 9 . 1 1 104 104 ILE N N 373 123.110 123.110 116.421 6.689 17838 7291 1 9 . 1 1 104 104 ILE HA H 373 3.850 3.850 4.267 -0.417 17838 7292 1 9 . 1 1 104 104 ILE C C 373 176.450 176.450 176.090 0.360 17838 7293 1 9 . 1 1 104 104 ILE CA C 373 64.670 64.670 61.105 3.565 17838 7294 1 9 . 1 1 104 104 ILE CB C 373 38.900 38.900 39.416 -0.515 17838 7295 1 9 . 1 1 104 104 ILE H H 373 9.490 9.490 8.030 1.460 17838 7296 1 9 . 1 1 105 105 GLY N N 374 99.210 99.210 105.760 -6.550 17838 7297 1 9 . 1 1 105 105 GLY C C 374 170.160 170.160 171.422 -1.262 17838 7298 1 9 . 1 1 105 105 GLY CA C 374 46.130 46.130 45.375 0.755 17838 7299 1 9 . 1 1 105 105 GLY H H 374 7.310 7.310 7.453 -0.143 17838 7300 1 9 . 1 1 106 106 LYS N N 375 119.580 119.580 121.478 -1.898 17838 7301 1 9 . 1 1 106 106 LYS HA H 375 5.520 5.520 5.393 0.127 17838 7302 1 9 . 1 1 106 106 LYS C C 375 173.600 173.600 174.397 -0.797 17838 7303 1 9 . 1 1 106 106 LYS CA C 375 55.130 55.130 55.666 -0.536 17838 7304 1 9 . 1 1 106 106 LYS CB C 375 39.040 39.040 37.114 1.926 17838 7305 1 9 . 1 1 106 106 LYS H H 375 9.600 9.600 8.540 1.060 17838 7306 1 9 . 1 1 107 107 VAL N N 376 116.620 116.620 122.643 -6.023 17838 7307 1 9 . 1 1 107 107 VAL HA H 376 4.670 4.670 3.976 0.694 17838 7308 1 9 . 1 1 107 107 VAL C C 376 172.040 172.040 173.108 -1.068 17838 7309 1 9 . 1 1 107 107 VAL CA C 376 60.670 60.670 59.174 1.496 17838 7310 1 9 . 1 1 107 107 VAL CB C 376 35.220 35.220 35.798 -0.578 17838 7311 1 9 . 1 1 107 107 VAL H H 376 8.910 8.910 7.956 0.954 17838 7312 1 9 . 1 1 108 108 PHE N N 377 120.920 120.920 123.324 -2.404 17838 7313 1 9 . 1 1 108 108 PHE HA H 377 5.690 5.690 5.335 0.355 17838 7314 1 9 . 1 1 108 108 PHE CA C 377 55.460 55.460 54.551 0.909 17838 7315 1 9 . 1 1 108 108 PHE CB C 377 44.420 44.420 40.384 4.036 17838 7316 1 9 . 1 1 108 108 PHE H H 377 8.560 8.560 7.357 1.203 17838 7317 1 9 . 1 1 109 109 VAL N N 378 108.500 108.500 118.809 -10.309 17838 7318 1 9 . 1 1 109 109 VAL HA H 378 4.150 4.150 4.402 -0.252 17838 7319 1 9 . 1 1 109 109 VAL CA C 378 58.140 58.140 59.839 -1.699 17838 7320 1 9 . 1 1 109 109 VAL CB C 378 33.750 33.750 33.376 0.374 17838 7321 1 9 . 1 1 109 109 VAL H H 378 8.320 8.320 8.763 -0.443 17838 7322 1 9 . 1 1 110 110 GLY CA C 379 41.340 41.340 45.225 -3.885 17838 7323 1 9 . 1 1 111 111 TYR HA H 380 4.010 4.010 4.329 -0.319 17838 7324 1 9 . 1 1 111 111 TYR CA C 380 59.880 59.880 60.051 -0.171 17838 7325 1 9 . 1 1 111 111 TYR CB C 380 37.860 37.860 39.188 -1.328 17838 7326 1 9 . 1 1 112 112 ASN HA H 381 4.250 4.250 4.391 -0.141 17838 7327 1 9 . 1 1 112 112 ASN CA C 381 54.170 54.170 53.070 1.100 17838 7328 1 9 . 1 1 112 112 ASN CB C 381 37.810 37.810 36.946 0.864 17838 7329 1 9 . 1 1 113 113 SER HA H 382 4.140 4.140 4.621 -0.481 17838 7330 1 9 . 1 1 113 113 SER C C 382 172.760 172.760 174.085 -1.325 17838 7331 1 9 . 1 1 113 113 SER CA C 382 58.610 58.610 57.864 0.747 17838 7332 1 9 . 1 1 113 113 SER CB C 382 64.620 64.620 65.406 -0.786 17838 7333 1 9 . 1 1 114 114 THR N N 383 106.230 106.230 116.833 -10.603 17838 7334 1 9 . 1 1 114 114 THR HA H 383 4.730 4.730 4.424 0.306 17838 7335 1 9 . 1 1 114 114 THR C C 383 176.030 176.030 176.145 -0.115 17838 7336 1 9 . 1 1 114 114 THR CA C 383 60.120 60.120 62.546 -2.426 17838 7337 1 9 . 1 1 114 114 THR CB C 383 72.950 72.950 69.637 3.313 17838 7338 1 9 . 1 1 114 114 THR H H 383 7.710 7.710 8.932 -1.222 17838 7339 1 9 . 1 1 115 115 GLY N N 384 108.400 108.400 109.356 -0.956 17838 7340 1 9 . 1 1 115 115 GLY C C 384 175.920 175.920 176.489 -0.569 17838 7341 1 9 . 1 1 115 115 GLY CA C 384 47.150 47.150 47.505 -0.355 17838 7342 1 9 . 1 1 115 115 GLY H H 384 8.840 8.840 8.673 0.167 17838 7343 1 9 . 1 1 116 116 ALA N N 385 129.610 129.610 124.660 4.950 17838 7344 1 9 . 1 1 116 116 ALA HA H 385 4.110 4.110 4.106 0.004 17838 7345 1 9 . 1 1 116 116 ALA C C 385 179.670 179.670 180.109 -0.439 17838 7346 1 9 . 1 1 116 116 ALA CA C 385 54.310 54.310 55.094 -0.784 17838 7347 1 9 . 1 1 116 116 ALA CB C 385 18.100 18.100 18.639 -0.539 17838 7348 1 9 . 1 1 116 116 ALA H H 385 9.310 9.310 8.281 1.029 17838 7349 1 9 . 1 1 117 117 GLU N N 386 121.720 121.720 118.848 2.872 17838 7350 1 9 . 1 1 117 117 GLU HA H 386 4.110 4.110 4.160 -0.050 17838 7351 1 9 . 1 1 117 117 GLU C C 386 175.960 175.960 179.226 -3.266 17838 7352 1 9 . 1 1 117 117 GLU CA C 386 62.450 62.450 59.471 2.979 17838 7353 1 9 . 1 1 117 117 GLU CB C 386 29.830 29.830 29.122 0.708 17838 7354 1 9 . 1 1 117 117 GLU H H 386 8.140 8.140 8.188 -0.048 17838 7355 1 9 . 1 1 118 118 LEU N N 387 122.820 122.820 122.575 0.245 17838 7356 1 9 . 1 1 118 118 LEU HA H 387 4.140 4.140 4.221 -0.081 17838 7357 1 9 . 1 1 118 118 LEU C C 387 179.580 179.580 179.075 0.505 17838 7358 1 9 . 1 1 118 118 LEU CA C 387 56.900 56.900 57.924 -1.024 17838 7359 1 9 . 1 1 118 118 LEU CB C 387 40.270 40.270 41.942 -1.672 17838 7360 1 9 . 1 1 118 118 LEU H H 387 6.570 6.570 8.403 -1.833 17838 7361 1 9 . 1 1 119 119 ARG N N 388 119.950 119.950 117.616 2.334 17838 7362 1 9 . 1 1 119 119 ARG HA H 388 4.090 4.090 4.065 0.025 17838 7363 1 9 . 1 1 119 119 ARG C C 388 177.240 177.240 177.418 -0.178 17838 7364 1 9 . 1 1 119 119 ARG CA C 388 59.220 59.220 58.531 0.689 17838 7365 1 9 . 1 1 119 119 ARG CB C 388 29.990 29.990 30.025 -0.035 17838 7366 1 9 . 1 1 119 119 ARG H H 388 8.120 8.120 8.479 -0.359 17838 7367 1 9 . 1 1 120 120 HIS N N 389 118.040 118.040 117.617 0.423 17838 7368 1 9 . 1 1 120 120 HIS HA H 389 4.560 4.560 5.146 -0.586 17838 7369 1 9 . 1 1 120 120 HIS CA C 389 57.520 57.520 56.605 0.915 17838 7370 1 9 . 1 1 120 120 HIS CB C 389 32.980 32.980 31.924 1.056 17838 7371 1 9 . 1 1 120 120 HIS H H 389 7.510 7.510 7.989 -0.479 17838 7372 1 9 . 1 1 121 121 TRP N N 390 118.700 118.700 122.933 -4.233 17838 7373 1 9 . 1 1 121 121 TRP HA H 390 4.010 4.010 4.510 -0.500 17838 7374 1 9 . 1 1 121 121 TRP C C 390 176.900 176.900 177.182 -0.282 17838 7375 1 9 . 1 1 121 121 TRP CA C 390 60.240 60.240 61.305 -1.065 17838 7376 1 9 . 1 1 121 121 TRP CB C 390 30.800 30.800 30.006 0.794 17838 7377 1 9 . 1 1 121 121 TRP H H 390 7.650 7.650 9.073 -1.423 17838 7378 1 9 . 1 1 122 122 SER N N 391 113.110 113.110 112.583 0.527 17838 7379 1 9 . 1 1 122 122 SER HA H 391 4.010 4.010 4.514 -0.504 17838 7380 1 9 . 1 1 122 122 SER C C 391 177.460 177.460 173.656 3.804 17838 7381 1 9 . 1 1 122 122 SER CA C 391 61.970 61.970 59.702 2.268 17838 7382 1 9 . 1 1 122 122 SER CB C 391 62.490 62.490 62.576 -0.086 17838 7383 1 9 . 1 1 122 122 SER H H 391 9.060 9.060 8.102 0.958 17838 7384 1 9 . 1 1 123 123 ASP N N 392 123.980 123.980 120.188 3.792 17838 7385 1 9 . 1 1 123 123 ASP HA H 392 4.380 4.380 4.714 -0.334 17838 7386 1 9 . 1 1 123 123 ASP C C 392 178.830 178.830 176.578 2.252 17838 7387 1 9 . 1 1 123 123 ASP CA C 392 57.570 57.570 55.329 2.241 17838 7388 1 9 . 1 1 123 123 ASP CB C 392 40.040 40.040 41.918 -1.878 17838 7389 1 9 . 1 1 123 123 ASP H H 392 8.870 8.870 8.184 0.686 17838 7390 1 9 . 1 1 124 124 MET N N 393 121.910 121.910 118.505 3.405 17838 7391 1 9 . 1 1 124 124 MET HA H 393 3.970 3.970 4.566 -0.596 17838 7392 1 9 . 1 1 124 124 MET C C 393 179.000 179.000 177.299 1.701 17838 7393 1 9 . 1 1 124 124 MET CA C 393 59.350 59.350 56.552 2.798 17838 7394 1 9 . 1 1 124 124 MET CB C 393 32.590 32.590 34.499 -1.909 17838 7395 1 9 . 1 1 124 124 MET H H 393 7.960 7.960 8.412 -0.452 17838 7396 1 9 . 1 1 125 125 LEU N N 394 118.500 118.500 114.885 3.615 17838 7397 1 9 . 1 1 125 125 LEU HA H 394 3.890 3.890 4.808 -0.918 17838 7398 1 9 . 1 1 125 125 LEU C C 394 178.170 178.170 176.676 1.494 17838 7399 1 9 . 1 1 125 125 LEU CA C 394 56.880 56.880 54.362 2.518 17838 7400 1 9 . 1 1 125 125 LEU CB C 394 41.730 41.730 41.301 0.429 17838 7401 1 9 . 1 1 125 125 LEU H H 394 7.610 7.610 7.265 0.345 17838 7402 1 9 . 1 1 126 126 ALA N N 395 118.600 118.600 119.806 -1.206 17838 7403 1 9 . 1 1 126 126 ALA HA H 395 4.220 4.220 4.069 0.151 17838 7404 1 9 . 1 1 126 126 ALA C C 395 176.770 176.770 176.490 0.280 17838 7405 1 9 . 1 1 126 126 ALA CA C 395 52.850 52.850 53.523 -0.673 17838 7406 1 9 . 1 1 126 126 ALA CB C 395 19.460 19.460 19.085 0.375 17838 7407 1 9 . 1 1 126 126 ALA H H 395 7.850 7.850 7.961 -0.111 17838 7408 1 9 . 1 1 127 127 ASN N N 396 115.840 115.840 115.060 0.780 17838 7409 1 9 . 1 1 127 127 ASN HA H 396 5.100 5.100 4.802 0.298 17838 7410 1 9 . 1 1 127 127 ASN CA C 396 51.110 51.110 53.231 -2.121 17838 7411 1 9 . 1 1 127 127 ASN CB C 396 40.740 40.740 38.306 2.433 17838 7412 1 9 . 1 1 127 127 ASN H H 396 7.150 7.150 8.055 -0.905 17838 7413 1 9 . 1 1 128 128 PRO HA H 397 4.750 4.750 4.492 0.258 17838 7414 1 9 . 1 1 128 128 PRO C C 397 177.390 177.390 176.614 0.776 17838 7415 1 9 . 1 1 128 128 PRO CA C 397 63.910 63.910 63.048 0.862 17838 7416 1 9 . 1 1 128 128 PRO CB C 397 32.250 32.250 32.198 0.052 17838 7417 1 9 . 1 1 129 129 ARG N N 398 111.560 111.560 117.597 -6.037 17838 7418 1 9 . 1 1 129 129 ARG HA H 398 3.530 3.530 4.830 -1.300 17838 7419 1 9 . 1 1 129 129 ARG C C 398 174.880 174.880 175.478 -0.598 17838 7420 1 9 . 1 1 129 129 ARG CA C 398 58.750 58.750 54.834 3.916 17838 7421 1 9 . 1 1 129 129 ARG CB C 398 29.040 29.040 30.342 -1.302 17838 7422 1 9 . 1 1 129 129 ARG H H 398 8.300 8.300 8.503 -0.203 17838 7423 1 9 . 1 1 130 130 ARG N N 399 120.840 120.840 121.976 -1.136 17838 7424 1 9 . 1 1 130 130 ARG HA H 399 4.800 4.800 4.617 0.182 17838 7425 1 9 . 1 1 130 130 ARG CA C 399 53.050 53.050 52.421 0.629 17838 7426 1 9 . 1 1 130 130 ARG CB C 399 31.420 31.420 29.812 1.608 17838 7427 1 9 . 1 1 130 130 ARG H H 399 7.980 7.980 8.161 -0.181 17838 7428 1 9 . 1 1 131 131 PRO HA H 400 4.810 4.810 4.733 0.077 17838 7429 1 9 . 1 1 131 131 PRO C C 400 176.610 176.610 175.543 1.067 17838 7430 1 9 . 1 1 131 131 PRO CA C 400 61.490 61.490 62.166 -0.676 17838 7431 1 9 . 1 1 131 131 PRO CB C 400 43.560 43.560 31.629 11.931 17838 7432 1 9 . 1 1 132 132 ILE N N 401 123.900 123.900 126.040 -2.140 17838 7433 1 9 . 1 1 132 132 ILE HA H 401 4.530 4.530 4.166 0.364 17838 7434 1 9 . 1 1 132 132 ILE C C 401 176.480 176.480 175.045 1.435 17838 7435 1 9 . 1 1 132 132 ILE CA C 401 58.360 58.360 58.949 -0.589 17838 7436 1 9 . 1 1 132 132 ILE CB C 401 39.250 39.250 37.524 1.726 17838 7437 1 9 . 1 1 132 132 ILE H H 401 9.000 9.000 7.559 1.441 17838 7438 1 9 . 1 1 133 133 ALA N N 402 137.830 137.830 130.799 7.031 17838 7439 1 9 . 1 1 133 133 ALA HA H 402 4.920 4.920 4.342 0.578 17838 7440 1 9 . 1 1 133 133 ALA C C 402 175.260 175.260 176.251 -0.991 17838 7441 1 9 . 1 1 133 133 ALA CA C 402 51.090 51.090 51.859 -0.769 17838 7442 1 9 . 1 1 133 133 ALA CB C 402 20.360 20.360 19.248 1.112 17838 7443 1 9 . 1 1 133 133 ALA H H 402 9.560 9.560 8.578 0.982 17838 7444 1 9 . 1 1 134 134 GLN N N 403 119.730 119.730 125.080 -5.350 17838 7445 1 9 . 1 1 134 134 GLN HA H 403 4.020 4.020 4.002 0.018 17838 7446 1 9 . 1 1 134 134 GLN C C 403 173.700 173.700 174.399 -0.699 17838 7447 1 9 . 1 1 134 134 GLN CA C 403 55.050 55.050 53.683 1.367 17838 7448 1 9 . 1 1 134 134 GLN CB C 403 32.660 32.660 31.180 1.480 17838 7449 1 9 . 1 1 134 134 GLN H H 403 7.620 7.620 8.488 -0.868 17838 7450 1 9 . 1 1 135 135 TRP N N 404 123.420 123.420 126.588 -3.168 17838 7451 1 9 . 1 1 135 135 TRP HA H 404 4.510 4.510 4.806 -0.296 17838 7452 1 9 . 1 1 135 135 TRP C C 404 176.280 176.280 175.722 0.558 17838 7453 1 9 . 1 1 135 135 TRP CA C 404 57.880 57.880 55.508 2.372 17838 7454 1 9 . 1 1 135 135 TRP CB C 404 30.110 30.110 29.499 0.611 17838 7455 1 9 . 1 1 135 135 TRP H H 404 8.310 8.310 7.308 1.002 17838 7456 1 9 . 1 1 136 136 HIS N N 405 117.210 117.210 124.640 -7.430 17838 7457 1 9 . 1 1 136 136 HIS HA H 405 4.810 4.810 5.013 -0.203 17838 7458 1 9 . 1 1 136 136 HIS C C 405 173.490 173.490 174.760 -1.270 17838 7459 1 9 . 1 1 136 136 HIS CA C 405 55.160 55.160 55.248 -0.088 17838 7460 1 9 . 1 1 136 136 HIS CB C 405 33.410 33.410 33.840 -0.430 17838 7461 1 9 . 1 1 136 136 HIS H H 405 9.470 9.470 8.916 0.554 17838 7462 1 9 . 1 1 137 137 THR N N 406 122.780 122.780 118.886 3.894 17838 7463 1 9 . 1 1 137 137 THR HA H 406 4.840 4.840 4.378 0.462 17838 7464 1 9 . 1 1 137 137 THR C C 406 174.350 174.350 174.005 0.345 17838 7465 1 9 . 1 1 137 137 THR CA C 406 62.650 62.650 62.862 -0.212 17838 7466 1 9 . 1 1 137 137 THR CB C 406 70.330 70.330 69.322 1.008 17838 7467 1 9 . 1 1 137 137 THR H H 406 9.430 9.430 8.178 1.252 17838 7468 1 9 . 1 1 138 138 LEU N N 407 124.890 124.890 122.338 2.552 17838 7469 1 9 . 1 1 138 138 LEU HA H 407 3.910 3.910 4.473 -0.563 17838 7470 1 9 . 1 1 138 138 LEU C C 407 175.480 175.480 176.678 -1.198 17838 7471 1 9 . 1 1 138 138 LEU CA C 407 55.950 55.950 53.698 2.252 17838 7472 1 9 . 1 1 138 138 LEU CB C 407 43.050 43.050 45.043 -1.993 17838 7473 1 9 . 1 1 138 138 LEU H H 407 8.730 8.730 8.346 0.384 17838 7474 1 9 . 1 1 139 139 GLN N N 408 119.630 119.630 120.274 -0.644 17838 7475 1 9 . 1 1 139 139 GLN HA H 408 4.680 4.680 4.673 0.007 17838 7476 1 9 . 1 1 139 139 GLN C C 408 175.100 175.100 175.814 -0.714 17838 7477 1 9 . 1 1 139 139 GLN CA C 408 53.830 53.830 54.122 -0.292 17838 7478 1 9 . 1 1 139 139 GLN CB C 408 32.150 32.150 30.921 1.230 17838 7479 1 9 . 1 1 139 139 GLN H H 408 8.470 8.470 8.743 -0.273 17838 7480 1 9 . 1 1 140 140 VAL N N 409 119.820 119.820 115.130 4.690 17838 7481 1 9 . 1 1 140 140 VAL HA H 409 3.850 3.850 4.449 -0.599 17838 7482 1 9 . 1 1 140 140 VAL C C 409 178.020 178.020 177.148 0.872 17838 7483 1 9 . 1 1 140 140 VAL CA C 409 63.130 63.130 59.987 3.143 17838 7484 1 9 . 1 1 140 140 VAL CB C 409 32.500 32.500 33.863 -1.363 17838 7485 1 9 . 1 1 140 140 VAL H H 409 8.410 8.410 8.180 0.230 17838 7486 1 9 . 1 1 141 141 GLU N N 410 127.170 127.170 120.556 6.614 17838 7487 1 9 . 1 1 141 141 GLU HA H 410 3.490 3.490 4.041 -0.551 17838 7488 1 9 . 1 1 141 141 GLU C C 410 176.850 176.850 178.622 -1.772 17838 7489 1 9 . 1 1 141 141 GLU CA C 410 60.610 60.610 59.493 1.117 17838 7490 1 9 . 1 1 141 141 GLU CB C 410 29.530 29.530 28.782 0.748 17838 7491 1 9 . 1 1 141 141 GLU H H 410 8.940 8.940 8.997 -0.057 17838 7492 1 9 . 1 1 142 142 GLU N N 411 115.780 115.780 118.000 -2.220 17838 7493 1 9 . 1 1 142 142 GLU HA H 411 3.950 3.950 4.112 -0.162 17838 7494 1 9 . 1 1 142 142 GLU C C 411 179.050 179.050 179.139 -0.089 17838 7495 1 9 . 1 1 142 142 GLU CA C 411 59.920 59.920 59.033 0.887 17838 7496 1 9 . 1 1 142 142 GLU CB C 411 28.940 28.940 29.077 -0.137 17838 7497 1 9 . 1 1 142 142 GLU H H 411 9.070 9.070 8.885 0.185 17838 7498 1 9 . 1 1 143 143 GLU N N 412 118.520 118.520 117.778 0.742 17838 7499 1 9 . 1 1 143 143 GLU HA H 412 4.050 4.050 4.344 -0.294 17838 7500 1 9 . 1 1 143 143 GLU C C 412 178.870 178.870 178.316 0.554 17838 7501 1 9 . 1 1 143 143 GLU CA C 412 58.590 58.590 58.146 0.444 17838 7502 1 9 . 1 1 143 143 GLU CB C 412 29.190 29.190 30.492 -1.302 17838 7503 1 9 . 1 1 143 143 GLU H H 412 7.080 7.080 7.760 -0.680 17838 7504 1 9 . 1 1 144 144 VAL N N 413 121.110 121.110 121.270 -0.160 17838 7505 1 9 . 1 1 144 144 VAL HA H 413 3.680 3.680 4.007 -0.327 17838 7506 1 9 . 1 1 144 144 VAL C C 413 177.970 177.970 176.943 1.027 17838 7507 1 9 . 1 1 144 144 VAL CA C 413 66.140 66.140 64.719 1.421 17838 7508 1 9 . 1 1 144 144 VAL CB C 413 31.620 31.620 31.916 -0.296 17838 7509 1 9 . 1 1 144 144 VAL H H 413 7.550 7.550 7.458 0.092 17838 7510 1 9 . 1 1 145 145 ASP N N 414 120.040 120.040 120.363 -0.323 17838 7511 1 9 . 1 1 145 145 ASP HA H 414 4.020 4.020 4.311 -0.291 17838 7512 1 9 . 1 1 145 145 ASP C C 414 178.910 178.910 177.858 1.052 17838 7513 1 9 . 1 1 145 145 ASP CA C 414 57.620 57.620 58.206 -0.586 17838 7514 1 9 . 1 1 145 145 ASP CB C 414 38.690 38.690 40.859 -2.169 17838 7515 1 9 . 1 1 145 145 ASP H H 414 8.660 8.660 8.514 0.146 17838 7516 1 9 . 1 1 146 146 ALA N N 415 121.010 121.010 120.651 0.359 17838 7517 1 9 . 1 1 146 146 ALA HA H 415 4.020 4.020 4.262 -0.242 17838 7518 1 9 . 1 1 146 146 ALA C C 415 179.930 179.930 178.850 1.080 17838 7519 1 9 . 1 1 146 146 ALA CA C 415 54.820 54.820 53.840 0.980 17838 7520 1 9 . 1 1 146 146 ALA CB C 415 17.910 17.910 18.580 -0.670 17838 7521 1 9 . 1 1 146 146 ALA H H 415 7.270 7.270 7.618 -0.348 17838 7522 1 9 . 1 1 147 147 MET N N 416 116.980 116.980 116.885 0.095 17838 7523 1 9 . 1 1 147 147 MET HA H 416 4.150 4.150 4.262 -0.112 17838 7524 1 9 . 1 1 147 147 MET C C 416 177.990 177.990 177.974 0.016 17838 7525 1 9 . 1 1 147 147 MET CA C 416 57.600 57.600 56.322 1.278 17838 7526 1 9 . 1 1 147 147 MET CB C 416 33.140 33.140 33.140 -0.000 17838 7527 1 9 . 1 1 147 147 MET H H 416 7.410 7.410 7.492 -0.082 17838 7528 1 9 . 1 1 148 148 LEU N N 417 118.550 118.550 116.983 1.567 17838 7529 1 9 . 1 1 148 148 LEU HA H 417 3.540 3.540 4.652 -1.112 17838 7530 1 9 . 1 1 148 148 LEU C C 417 176.810 176.810 177.127 -0.317 17838 7531 1 9 . 1 1 148 148 LEU CA C 417 55.670 55.670 56.235 -0.565 17838 7532 1 9 . 1 1 148 148 LEU CB C 417 42.650 42.650 40.881 1.769 17838 7533 1 9 . 1 1 148 148 LEU H H 417 7.560 7.560 8.134 -0.574 17838 7534 1 9 . 1 1 149 149 ALA N N 418 119.940 119.940 122.823 -2.883 17838 7535 1 9 . 1 1 149 149 ALA HA H 418 4.010 4.010 4.268 -0.258 17838 7536 1 9 . 1 1 149 149 ALA C C 418 177.010 177.010 177.030 -0.020 17838 7537 1 9 . 1 1 149 149 ALA CA C 418 52.310 52.310 51.493 0.817 17838 7538 1 9 . 1 1 149 149 ALA CB C 418 18.700 18.700 17.555 1.145 17838 7539 1 9 . 1 1 149 149 ALA H H 418 7.080 7.080 7.409 -0.329 17838 7540 1 9 . 1 1 150 150 VAL N N 419 118.810 118.810 120.664 -1.854 17838 7541 1 9 . 1 1 150 150 VAL HA H 419 3.840 3.840 3.693 0.147 17838 7542 1 9 . 1 1 150 150 VAL C C 419 175.760 175.760 176.075 -0.315 17838 7543 1 9 . 1 1 150 150 VAL CA C 419 62.930 62.930 63.317 -0.387 17838 7544 1 9 . 1 1 150 150 VAL CB C 419 32.450 32.450 30.531 1.919 17838 7545 1 9 . 1 1 150 150 VAL H H 419 7.560 7.560 7.898 -0.338 17838 7546 1 9 . 1 1 151 151 LYS N N 420 126.620 126.620 121.482 5.138 17838 7547 1 9 . 1 1 151 151 LYS HA H 420 4.260 4.260 4.097 0.163 17838 7548 1 9 . 1 1 151 151 LYS C C 420 175.210 175.210 176.285 -1.075 17838 7549 1 9 . 1 1 151 151 LYS CA C 420 56.050 56.050 57.557 -1.507 17838 7550 1 9 . 1 1 151 151 LYS CB C 420 33.050 33.050 32.990 0.060 17838 7551 1 9 . 1 1 151 151 LYS H H 420 8.290 8.290 8.639 -0.349 17838 7552 1 10 . 1 1 3 3 LYS N N 272 123.800 123.800 122.772 1.028 17838 7553 1 10 . 1 1 3 3 LYS HA H 272 4.190 4.190 4.018 0.172 17838 7554 1 10 . 1 1 3 3 LYS C C 272 176.410 176.410 175.299 1.111 17838 7555 1 10 . 1 1 3 3 LYS CA C 272 56.160 56.160 57.270 -1.109 17838 7556 1 10 . 1 1 3 3 LYS CB C 272 31.950 31.950 31.579 0.371 17838 7557 1 10 . 1 1 3 3 LYS H H 272 8.470 8.470 8.810 -0.340 17838 7558 1 10 . 1 1 4 4 LEU N N 273 125.150 125.150 116.482 8.668 17838 7559 1 10 . 1 1 4 4 LEU HA H 273 4.200 4.200 4.632 -0.432 17838 7560 1 10 . 1 1 4 4 LEU C C 273 175.130 175.130 176.307 -1.177 17838 7561 1 10 . 1 1 4 4 LEU CA C 273 55.940 55.940 55.091 0.849 17838 7562 1 10 . 1 1 4 4 LEU CB C 273 43.330 43.330 44.087 -0.757 17838 7563 1 10 . 1 1 4 4 LEU H H 273 8.610 8.610 8.357 0.253 17838 7564 1 10 . 1 1 5 5 GLY N N 274 102.380 102.380 103.925 -1.545 17838 7565 1 10 . 1 1 5 5 GLY C C 274 171.630 171.630 172.198 -0.568 17838 7566 1 10 . 1 1 5 5 GLY CA C 274 44.480 44.480 44.602 -0.122 17838 7567 1 10 . 1 1 5 5 GLY H H 274 7.170 7.170 7.612 -0.442 17838 7568 1 10 . 1 1 6 6 ASP N N 275 116.430 116.430 123.607 -7.177 17838 7569 1 10 . 1 1 6 6 ASP HA H 275 5.760 5.760 5.314 0.446 17838 7570 1 10 . 1 1 6 6 ASP C C 275 174.880 174.880 173.590 1.290 17838 7571 1 10 . 1 1 6 6 ASP CA C 275 53.160 53.160 54.258 -1.098 17838 7572 1 10 . 1 1 6 6 ASP CB C 275 45.720 45.720 43.163 2.558 17838 7573 1 10 . 1 1 6 6 ASP H H 275 8.500 8.500 8.303 0.197 17838 7574 1 10 . 1 1 7 7 ILE N N 276 118.640 118.640 122.203 -3.563 17838 7575 1 10 . 1 1 7 7 ILE HA H 276 5.220 5.220 4.430 0.790 17838 7576 1 10 . 1 1 7 7 ILE C C 276 173.900 173.900 174.212 -0.312 17838 7577 1 10 . 1 1 7 7 ILE CA C 276 58.730 58.730 60.042 -1.312 17838 7578 1 10 . 1 1 7 7 ILE CB C 276 43.680 43.680 42.924 0.756 17838 7579 1 10 . 1 1 7 7 ILE H H 276 9.930 9.930 8.372 1.558 17838 7580 1 10 . 1 1 8 8 CYS N N 277 128.550 128.550 127.123 1.427 17838 7581 1 10 . 1 1 8 8 CYS HA H 277 4.560 4.560 5.288 -0.728 17838 7582 1 10 . 1 1 8 8 CYS C C 277 173.900 173.900 173.540 0.360 17838 7583 1 10 . 1 1 8 8 CYS CA C 277 56.340 56.340 56.439 -0.099 17838 7584 1 10 . 1 1 8 8 CYS CB C 277 25.930 25.930 28.056 -2.126 17838 7585 1 10 . 1 1 8 8 CYS H H 277 8.920 8.920 8.970 -0.050 17838 7586 1 10 . 1 1 9 9 PHE N N 278 121.320 121.320 125.451 -4.131 17838 7587 1 10 . 1 1 9 9 PHE HA H 278 5.330 5.330 5.119 0.211 17838 7588 1 10 . 1 1 9 9 PHE C C 278 173.180 173.180 174.363 -1.183 17838 7589 1 10 . 1 1 9 9 PHE CA C 278 54.720 54.720 54.615 0.105 17838 7590 1 10 . 1 1 9 9 PHE CB C 278 43.080 43.080 40.469 2.611 17838 7591 1 10 . 1 1 9 9 PHE H H 278 7.650 7.650 7.461 0.189 17838 7592 1 10 . 1 1 10 10 SER N N 279 116.160 116.160 117.798 -1.638 17838 7593 1 10 . 1 1 10 10 SER HA H 279 5.870 5.870 5.084 0.786 17838 7594 1 10 . 1 1 10 10 SER C C 279 172.820 172.820 173.742 -0.922 17838 7595 1 10 . 1 1 10 10 SER CA C 279 54.990 54.990 57.715 -2.725 17838 7596 1 10 . 1 1 10 10 SER CB C 279 66.260 66.260 63.946 2.314 17838 7597 1 10 . 1 1 10 10 SER H H 279 9.920 9.920 9.150 0.770 17838 7598 1 10 . 1 1 11 11 LEU N N 280 121.460 121.460 126.334 -4.874 17838 7599 1 10 . 1 1 11 11 LEU HA H 280 5.100 5.100 4.522 0.578 17838 7600 1 10 . 1 1 11 11 LEU C C 280 174.900 174.900 176.003 -1.103 17838 7601 1 10 . 1 1 11 11 LEU CA C 280 53.020 53.020 54.303 -1.283 17838 7602 1 10 . 1 1 11 11 LEU CB C 280 46.790 46.790 41.416 5.374 17838 7603 1 10 . 1 1 11 11 LEU H H 280 8.270 8.270 7.844 0.426 17838 7604 1 10 . 1 1 12 12 ARG N N 281 120.480 120.480 118.599 1.881 17838 7605 1 10 . 1 1 12 12 ARG HA H 281 4.740 4.740 4.785 -0.045 17838 7606 1 10 . 1 1 12 12 ARG C C 281 173.410 173.410 173.341 0.069 17838 7607 1 10 . 1 1 12 12 ARG CA C 281 54.810 54.810 54.980 -0.170 17838 7608 1 10 . 1 1 12 12 ARG CB C 281 34.560 34.560 33.318 1.242 17838 7609 1 10 . 1 1 12 12 ARG H H 281 8.240 8.240 7.869 0.371 17838 7610 1 10 . 1 1 13 13 TYR N N 282 127.490 127.490 121.187 6.303 17838 7611 1 10 . 1 1 13 13 TYR HA H 282 5.490 5.490 4.882 0.608 17838 7612 1 10 . 1 1 13 13 TYR C C 282 174.270 174.270 173.884 0.386 17838 7613 1 10 . 1 1 13 13 TYR CA C 282 56.410 56.410 55.716 0.694 17838 7614 1 10 . 1 1 13 13 TYR CB C 282 39.740 39.740 42.865 -3.126 17838 7615 1 10 . 1 1 13 13 TYR H H 282 9.370 9.370 8.890 0.480 17838 7616 1 10 . 1 1 14 14 VAL N N 283 127.660 127.660 125.423 2.237 17838 7617 1 10 . 1 1 14 14 VAL HA H 283 4.240 4.240 4.365 -0.125 17838 7618 1 10 . 1 1 14 14 VAL CA C 283 58.700 58.700 59.011 -0.311 17838 7619 1 10 . 1 1 14 14 VAL CB C 283 32.450 32.450 32.383 0.067 17838 7620 1 10 . 1 1 14 14 VAL H H 283 7.480 7.480 7.585 -0.105 17838 7621 1 10 . 1 1 15 15 PRO HA H 284 3.780 3.780 4.156 -0.376 17838 7622 1 10 . 1 1 15 15 PRO C C 284 178.150 178.150 177.340 0.810 17838 7623 1 10 . 1 1 15 15 PRO CA C 284 65.540 65.540 63.902 1.638 17838 7624 1 10 . 1 1 15 15 PRO CB C 284 32.360 32.360 31.633 0.727 17838 7625 1 10 . 1 1 16 16 THR N N 285 109.040 109.040 112.743 -3.703 17838 7626 1 10 . 1 1 16 16 THR HA H 285 3.850 3.850 4.130 -0.280 17838 7627 1 10 . 1 1 16 16 THR C C 285 174.880 174.880 175.039 -0.159 17838 7628 1 10 . 1 1 16 16 THR CA C 285 64.490 64.490 64.126 0.363 17838 7629 1 10 . 1 1 16 16 THR CB C 285 68.150 68.150 68.915 -0.765 17838 7630 1 10 . 1 1 16 16 THR H H 285 7.690 7.690 8.048 -0.358 17838 7631 1 10 . 1 1 17 17 ALA N N 286 119.760 119.760 121.546 -1.786 17838 7632 1 10 . 1 1 17 17 ALA HA H 286 4.380 4.380 4.533 -0.153 17838 7633 1 10 . 1 1 17 17 ALA C C 286 177.040 177.040 177.697 -0.657 17838 7634 1 10 . 1 1 17 17 ALA CA C 286 51.450 51.450 51.909 -0.459 17838 7635 1 10 . 1 1 17 17 ALA CB C 286 20.320 20.320 20.735 -0.415 17838 7636 1 10 . 1 1 17 17 ALA H H 286 6.520 6.520 7.300 -0.780 17838 7637 1 10 . 1 1 18 18 GLY N N 287 109.040 109.040 109.185 -0.145 17838 7638 1 10 . 1 1 18 18 GLY C C 287 173.990 173.990 173.328 0.662 17838 7639 1 10 . 1 1 18 18 GLY CA C 287 47.150 47.150 45.637 1.513 17838 7640 1 10 . 1 1 18 18 GLY H H 287 7.690 7.690 8.313 -0.623 17838 7641 1 10 . 1 1 19 19 LYS N N 288 117.030 117.030 117.714 -0.684 17838 7642 1 10 . 1 1 19 19 LYS HA H 288 4.890 4.890 5.062 -0.172 17838 7643 1 10 . 1 1 19 19 LYS C C 288 173.910 173.910 174.585 -0.675 17838 7644 1 10 . 1 1 19 19 LYS CA C 288 55.100 55.100 54.321 0.779 17838 7645 1 10 . 1 1 19 19 LYS CB C 288 35.520 35.520 35.805 -0.285 17838 7646 1 10 . 1 1 19 19 LYS H H 288 6.630 6.630 7.208 -0.578 17838 7647 1 10 . 1 1 20 20 LEU N N 289 131.970 131.970 123.482 8.488 17838 7648 1 10 . 1 1 20 20 LEU HA H 289 5.480 5.480 4.538 0.942 17838 7649 1 10 . 1 1 20 20 LEU C C 289 174.750 174.750 175.597 -0.847 17838 7650 1 10 . 1 1 20 20 LEU CA C 289 53.620 53.620 55.155 -1.535 17838 7651 1 10 . 1 1 20 20 LEU CB C 289 45.840 45.840 44.028 1.812 17838 7652 1 10 . 1 1 20 20 LEU H H 289 9.260 9.260 9.079 0.181 17838 7653 1 10 . 1 1 21 21 THR N N 290 124.180 124.180 122.147 2.033 17838 7654 1 10 . 1 1 21 21 THR HA H 290 5.260 5.260 4.796 0.464 17838 7655 1 10 . 1 1 21 21 THR C C 290 173.650 173.650 173.892 -0.242 17838 7656 1 10 . 1 1 21 21 THR CA C 290 62.070 62.070 61.698 0.372 17838 7657 1 10 . 1 1 21 21 THR CB C 290 70.920 70.920 68.715 2.205 17838 7658 1 10 . 1 1 21 21 THR H H 290 9.770 9.770 8.268 1.502 17838 7659 1 10 . 1 1 22 22 VAL N N 291 129.970 129.970 128.445 1.525 17838 7660 1 10 . 1 1 22 22 VAL HA H 291 5.010 5.010 4.303 0.707 17838 7661 1 10 . 1 1 22 22 VAL C C 291 174.510 174.510 175.269 -0.759 17838 7662 1 10 . 1 1 22 22 VAL CA C 291 59.970 59.970 62.203 -2.233 17838 7663 1 10 . 1 1 22 22 VAL CB C 291 34.900 34.900 31.938 2.962 17838 7664 1 10 . 1 1 22 22 VAL H H 291 9.510 9.510 8.784 0.726 17838 7665 1 10 . 1 1 23 23 VAL N N 292 125.670 125.670 126.069 -0.399 17838 7666 1 10 . 1 1 23 23 VAL HA H 292 4.830 4.830 5.285 -0.455 17838 7667 1 10 . 1 1 23 23 VAL C C 292 177.610 177.610 175.480 2.130 17838 7668 1 10 . 1 1 23 23 VAL CA C 292 60.370 60.370 59.892 0.478 17838 7669 1 10 . 1 1 23 23 VAL CB C 292 32.230 32.230 32.330 -0.100 17838 7670 1 10 . 1 1 23 23 VAL H H 292 8.650 8.650 8.464 0.186 17838 7671 1 10 . 1 1 24 24 ILE N N 293 125.630 125.630 128.034 -2.404 17838 7672 1 10 . 1 1 24 24 ILE HA H 293 4.010 4.010 4.502 -0.492 17838 7673 1 10 . 1 1 24 24 ILE C C 293 175.140 175.140 175.808 -0.668 17838 7674 1 10 . 1 1 24 24 ILE CA C 293 58.560 58.560 61.630 -3.070 17838 7675 1 10 . 1 1 24 24 ILE CB C 293 34.580 34.580 38.072 -3.492 17838 7676 1 10 . 1 1 24 24 ILE H H 293 9.100 9.100 8.492 0.608 17838 7677 1 10 . 1 1 25 25 LEU N N 294 130.570 130.570 129.442 1.128 17838 7678 1 10 . 1 1 25 25 LEU HA H 294 4.110 4.110 4.432 -0.322 17838 7679 1 10 . 1 1 25 25 LEU C C 294 175.250 175.250 176.500 -1.250 17838 7680 1 10 . 1 1 25 25 LEU CA C 294 58.210 58.210 56.942 1.268 17838 7681 1 10 . 1 1 25 25 LEU CB C 294 41.470 41.470 42.913 -1.443 17838 7682 1 10 . 1 1 25 25 LEU H H 294 8.260 8.260 8.641 -0.381 17838 7683 1 10 . 1 1 26 26 GLU N N 295 111.970 111.970 112.921 -0.951 17838 7684 1 10 . 1 1 26 26 GLU HA H 295 5.050 5.050 5.170 -0.120 17838 7685 1 10 . 1 1 26 26 GLU C C 295 172.250 172.250 174.665 -2.415 17838 7686 1 10 . 1 1 26 26 GLU CA C 295 54.970 54.970 54.673 0.297 17838 7687 1 10 . 1 1 26 26 GLU CB C 295 32.990 32.990 33.227 -0.237 17838 7688 1 10 . 1 1 26 26 GLU H H 295 7.490 7.490 7.708 -0.218 17838 7689 1 10 . 1 1 27 27 ALA N N 296 121.530 121.530 119.455 2.075 17838 7690 1 10 . 1 1 27 27 ALA HA H 296 5.550 5.550 4.719 0.831 17838 7691 1 10 . 1 1 27 27 ALA C C 296 174.560 174.560 175.519 -0.959 17838 7692 1 10 . 1 1 27 27 ALA CA C 296 50.780 50.780 51.888 -1.108 17838 7693 1 10 . 1 1 27 27 ALA CB C 296 22.690 22.690 22.400 0.290 17838 7694 1 10 . 1 1 27 27 ALA H H 296 9.170 9.170 8.488 0.682 17838 7695 1 10 . 1 1 28 28 LYS N N 297 116.690 116.690 119.397 -2.707 17838 7696 1 10 . 1 1 28 28 LYS HA H 297 5.380 5.380 4.865 0.515 17838 7697 1 10 . 1 1 28 28 LYS C C 297 174.200 174.200 176.016 -1.816 17838 7698 1 10 . 1 1 28 28 LYS CA C 297 54.970 54.970 55.264 -0.294 17838 7699 1 10 . 1 1 28 28 LYS CB C 297 37.660 37.660 31.938 5.722 17838 7700 1 10 . 1 1 28 28 LYS H H 297 9.190 9.190 8.786 0.404 17838 7701 1 10 . 1 1 29 29 ASN N N 298 115.540 115.540 116.708 -1.168 17838 7702 1 10 . 1 1 29 29 ASN HA H 298 4.150 4.150 4.678 -0.528 17838 7703 1 10 . 1 1 29 29 ASN C C 298 173.850 173.850 174.997 -1.147 17838 7704 1 10 . 1 1 29 29 ASN CA C 298 53.600 53.600 54.218 -0.618 17838 7705 1 10 . 1 1 29 29 ASN CB C 298 37.000 37.000 39.007 -2.007 17838 7706 1 10 . 1 1 29 29 ASN H H 298 8.640 8.640 8.027 0.613 17838 7707 1 10 . 1 1 30 30 LEU N N 299 114.360 114.360 120.909 -6.549 17838 7708 1 10 . 1 1 30 30 LEU HA H 299 4.500 4.500 4.466 0.034 17838 7709 1 10 . 1 1 30 30 LEU C C 299 174.750 174.750 176.108 -1.358 17838 7710 1 10 . 1 1 30 30 LEU CA C 299 55.010 55.010 54.426 0.584 17838 7711 1 10 . 1 1 30 30 LEU CB C 299 42.820 42.820 42.661 0.159 17838 7712 1 10 . 1 1 30 30 LEU H H 299 8.210 8.210 7.354 0.856 17838 7713 1 10 . 1 1 31 31 LYS N N 300 119.660 119.660 121.509 -1.849 17838 7714 1 10 . 1 1 31 31 LYS HA H 300 3.900 3.900 4.512 -0.612 17838 7715 1 10 . 1 1 31 31 LYS C C 300 175.130 175.130 174.864 0.266 17838 7716 1 10 . 1 1 31 31 LYS CA C 300 56.630 56.630 54.045 2.585 17838 7717 1 10 . 1 1 31 31 LYS CB C 300 35.060 35.060 36.221 -1.161 17838 7718 1 10 . 1 1 31 31 LYS H H 300 6.830 6.830 8.167 -1.337 17838 7719 1 10 . 1 1 32 32 LYS N N 301 124.550 124.550 123.909 0.641 17838 7720 1 10 . 1 1 32 32 LYS HA H 301 3.760 3.760 4.195 -0.435 17838 7721 1 10 . 1 1 32 32 LYS C C 301 175.590 175.590 176.726 -1.136 17838 7722 1 10 . 1 1 32 32 LYS CA C 301 56.900 56.900 57.594 -0.694 17838 7723 1 10 . 1 1 32 32 LYS CB C 301 32.990 32.990 31.758 1.232 17838 7724 1 10 . 1 1 32 32 LYS H H 301 8.060 8.060 8.658 -0.598 17838 7725 1 10 . 1 1 33 33 MET N N 302 122.790 122.790 120.675 2.115 17838 7726 1 10 . 1 1 33 33 MET HA H 302 4.720 4.720 4.626 0.094 17838 7727 1 10 . 1 1 33 33 MET C C 302 176.510 176.510 175.398 1.112 17838 7728 1 10 . 1 1 33 33 MET CA C 302 53.860 53.860 54.656 -0.795 17838 7729 1 10 . 1 1 33 33 MET CB C 302 32.590 32.590 32.948 -0.358 17838 7730 1 10 . 1 1 33 33 MET H H 302 7.970 7.970 8.673 -0.703 17838 7731 1 10 . 1 1 34 34 ASP N N 303 124.630 124.630 122.482 2.148 17838 7732 1 10 . 1 1 34 34 ASP HA H 303 5.030 5.030 4.719 0.311 17838 7733 1 10 . 1 1 34 34 ASP CA C 303 52.810 52.810 53.718 -0.908 17838 7734 1 10 . 1 1 34 34 ASP CB C 303 41.950 41.950 42.562 -0.612 17838 7735 1 10 . 1 1 34 34 ASP H H 303 8.080 8.080 8.039 0.041 17838 7736 1 10 . 1 1 35 35 VAL N N 304 125.910 125.910 124.896 1.014 17838 7737 1 10 . 1 1 35 35 VAL HA H 304 3.690 3.690 3.959 -0.269 17838 7738 1 10 . 1 1 35 35 VAL C C 304 176.820 176.820 176.746 0.074 17838 7739 1 10 . 1 1 35 35 VAL CA C 304 64.750 64.750 63.054 1.696 17838 7740 1 10 . 1 1 35 35 VAL CB C 304 31.120 31.120 30.915 0.205 17838 7741 1 10 . 1 1 35 35 VAL H H 304 8.760 8.760 8.641 0.119 17838 7742 1 10 . 1 1 36 36 GLY N N 305 115.560 115.560 114.963 0.597 17838 7743 1 10 . 1 1 36 36 GLY C C 305 174.160 174.160 174.019 0.141 17838 7744 1 10 . 1 1 36 36 GLY CA C 305 45.740 45.740 45.205 0.535 17838 7745 1 10 . 1 1 36 36 GLY H H 305 8.830 8.830 8.237 0.593 17838 7746 1 10 . 1 1 37 37 GLY N N 306 109.040 109.040 106.545 2.495 17838 7747 1 10 . 1 1 37 37 GLY C C 306 173.030 173.030 172.692 0.338 17838 7748 1 10 . 1 1 37 37 GLY CA C 306 45.040 45.040 44.664 0.376 17838 7749 1 10 . 1 1 37 37 GLY H H 306 7.690 7.690 7.602 0.088 17838 7750 1 10 . 1 1 38 38 LEU N N 307 124.610 124.610 119.210 5.400 17838 7751 1 10 . 1 1 38 38 LEU HA H 307 4.580 4.580 4.727 -0.147 17838 7752 1 10 . 1 1 38 38 LEU CA C 307 53.470 53.470 53.934 -0.464 17838 7753 1 10 . 1 1 38 38 LEU CB C 307 42.060 42.060 45.779 -3.719 17838 7754 1 10 . 1 1 38 38 LEU H H 307 8.410 8.410 8.462 -0.052 17838 7755 1 10 . 1 1 39 39 SER N N 308 115.270 115.270 113.740 1.530 17838 7756 1 10 . 1 1 39 39 SER HA H 308 4.490 4.490 4.639 -0.149 17838 7757 1 10 . 1 1 39 39 SER CA C 308 57.250 57.250 57.616 -0.366 17838 7758 1 10 . 1 1 39 39 SER CB C 308 68.290 68.290 65.048 3.242 17838 7759 1 10 . 1 1 39 39 SER H H 308 7.080 7.080 8.079 -0.999 17838 7760 1 10 . 1 1 40 40 ASP N N 309 121.280 121.280 121.299 -0.019 17838 7761 1 10 . 1 1 40 40 ASP HA H 309 5.880 5.880 5.276 0.604 17838 7762 1 10 . 1 1 40 40 ASP CA C 309 52.000 52.000 51.708 0.292 17838 7763 1 10 . 1 1 40 40 ASP CB C 309 42.350 42.350 42.878 -0.528 17838 7764 1 10 . 1 1 40 40 ASP H H 309 9.270 9.270 9.200 0.070 17838 7765 1 10 . 1 1 41 41 PRO HA H 310 5.680 5.680 4.590 1.090 17838 7766 1 10 . 1 1 41 41 PRO C C 310 179.050 179.050 175.822 3.228 17838 7767 1 10 . 1 1 41 41 PRO CA C 310 62.970 62.970 62.471 0.499 17838 7768 1 10 . 1 1 41 41 PRO CB C 310 32.940 32.940 32.355 0.585 17838 7769 1 10 . 1 1 42 42 TYR N N 311 122.860 122.860 124.710 -1.850 17838 7770 1 10 . 1 1 42 42 TYR HA H 311 4.740 4.740 4.735 0.005 17838 7771 1 10 . 1 1 42 42 TYR C C 311 170.780 170.780 173.704 -2.924 17838 7772 1 10 . 1 1 42 42 TYR CA C 311 55.640 55.640 57.687 -2.047 17838 7773 1 10 . 1 1 42 42 TYR CB C 311 41.950 41.950 40.924 1.026 17838 7774 1 10 . 1 1 42 42 TYR H H 311 9.130 9.130 8.441 0.689 17838 7775 1 10 . 1 1 43 43 VAL N N 312 120.460 120.460 122.899 -2.439 17838 7776 1 10 . 1 1 43 43 VAL HA H 312 4.840 4.840 4.807 0.033 17838 7777 1 10 . 1 1 43 43 VAL C C 312 174.430 174.430 174.046 0.384 17838 7778 1 10 . 1 1 43 43 VAL CA C 312 60.110 60.110 59.249 0.861 17838 7779 1 10 . 1 1 43 43 VAL CB C 312 33.430 33.430 35.781 -2.350 17838 7780 1 10 . 1 1 43 43 VAL H H 312 8.570 8.570 7.681 0.889 17838 7781 1 10 . 1 1 44 44 LYS N N 313 125.500 125.500 117.406 8.094 17838 7782 1 10 . 1 1 44 44 LYS HA H 313 4.840 4.840 4.573 0.267 17838 7783 1 10 . 1 1 44 44 LYS C C 313 174.300 174.300 174.626 -0.326 17838 7784 1 10 . 1 1 44 44 LYS CA C 313 54.680 54.680 54.443 0.237 17838 7785 1 10 . 1 1 44 44 LYS CB C 313 36.140 36.140 36.025 0.115 17838 7786 1 10 . 1 1 44 44 LYS H H 313 9.050 9.050 8.605 0.445 17838 7787 1 10 . 1 1 45 45 ILE N N 314 123.760 123.760 121.398 2.362 17838 7788 1 10 . 1 1 45 45 ILE HA H 314 4.780 4.780 4.413 0.367 17838 7789 1 10 . 1 1 45 45 ILE C C 314 174.700 174.700 173.606 1.094 17838 7790 1 10 . 1 1 45 45 ILE CA C 314 60.050 60.050 59.345 0.705 17838 7791 1 10 . 1 1 45 45 ILE CB C 314 41.800 41.800 41.554 0.246 17838 7792 1 10 . 1 1 45 45 ILE H H 314 8.770 8.770 8.597 0.173 17838 7793 1 10 . 1 1 46 46 HIS N N 315 122.820 122.820 124.443 -1.623 17838 7794 1 10 . 1 1 46 46 HIS HA H 315 5.340 5.340 4.913 0.427 17838 7795 1 10 . 1 1 46 46 HIS C C 315 173.540 173.540 174.096 -0.556 17838 7796 1 10 . 1 1 46 46 HIS CA C 315 54.590 54.590 54.971 -0.381 17838 7797 1 10 . 1 1 46 46 HIS CB C 315 34.280 34.280 32.694 1.587 17838 7798 1 10 . 1 1 46 46 HIS H H 315 9.070 9.070 8.840 0.230 17838 7799 1 10 . 1 1 47 47 LEU N N 316 124.780 124.780 120.496 4.284 17838 7800 1 10 . 1 1 47 47 LEU HA H 316 4.760 4.760 5.076 -0.316 17838 7801 1 10 . 1 1 47 47 LEU C C 316 174.720 174.720 175.107 -0.387 17838 7802 1 10 . 1 1 47 47 LEU CA C 316 53.480 53.480 53.604 -0.124 17838 7803 1 10 . 1 1 47 47 LEU CB C 316 44.010 44.010 43.847 0.163 17838 7804 1 10 . 1 1 47 47 LEU H H 316 8.350 8.350 8.417 -0.067 17838 7805 1 10 . 1 1 48 48 MET N N 317 125.550 125.550 119.716 5.834 17838 7806 1 10 . 1 1 48 48 MET HA H 317 5.360 5.360 5.145 0.215 17838 7807 1 10 . 1 1 48 48 MET C C 317 174.720 174.720 174.831 -0.111 17838 7808 1 10 . 1 1 48 48 MET CA C 317 53.490 53.490 53.426 0.064 17838 7809 1 10 . 1 1 48 48 MET CB C 317 35.800 35.800 34.497 1.303 17838 7810 1 10 . 1 1 48 48 MET H H 317 9.240 9.240 9.059 0.181 17838 7811 1 10 . 1 1 49 49 GLN N N 318 118.130 118.130 122.550 -4.420 17838 7812 1 10 . 1 1 49 49 GLN HA H 318 4.350 4.350 4.719 -0.369 17838 7813 1 10 . 1 1 49 49 GLN C C 318 175.850 175.850 175.293 0.557 17838 7814 1 10 . 1 1 49 49 GLN CA C 318 56.330 56.330 54.803 1.527 17838 7815 1 10 . 1 1 49 49 GLN CB C 318 32.240 32.240 31.430 0.810 17838 7816 1 10 . 1 1 49 49 GLN H H 318 8.510 8.510 8.946 -0.436 17838 7817 1 10 . 1 1 50 50 ASN N N 319 127.590 127.590 124.892 2.698 17838 7818 1 10 . 1 1 50 50 ASN HA H 319 4.250 4.250 4.380 -0.130 17838 7819 1 10 . 1 1 50 50 ASN C C 319 174.650 174.650 175.282 -0.632 17838 7820 1 10 . 1 1 50 50 ASN CA C 319 54.180 54.180 53.667 0.513 17838 7821 1 10 . 1 1 50 50 ASN CB C 319 37.640 37.640 38.232 -0.592 17838 7822 1 10 . 1 1 50 50 ASN H H 319 9.430 9.430 9.362 0.068 17838 7823 1 10 . 1 1 51 51 GLY N N 320 104.030 104.030 101.320 2.710 17838 7824 1 10 . 1 1 51 51 GLY C C 320 173.160 173.160 173.727 -0.567 17838 7825 1 10 . 1 1 51 51 GLY CA C 320 45.480 45.480 45.538 -0.058 17838 7826 1 10 . 1 1 51 51 GLY H H 320 8.950 8.950 8.644 0.306 17838 7827 1 10 . 1 1 52 52 LYS N N 321 120.220 120.220 120.973 -0.753 17838 7828 1 10 . 1 1 52 52 LYS HA H 321 4.400 4.400 4.648 -0.248 17838 7829 1 10 . 1 1 52 52 LYS C C 321 175.370 175.370 175.879 -0.509 17838 7830 1 10 . 1 1 52 52 LYS CA C 321 54.340 54.340 54.178 0.162 17838 7831 1 10 . 1 1 52 52 LYS CB C 321 34.230 34.230 35.302 -1.072 17838 7832 1 10 . 1 1 52 52 LYS H H 321 7.650 7.650 7.501 0.149 17838 7833 1 10 . 1 1 53 53 ARG N N 322 123.540 123.540 125.442 -1.902 17838 7834 1 10 . 1 1 53 53 ARG HA H 322 4.410 4.410 4.312 0.098 17838 7835 1 10 . 1 1 53 53 ARG C C 322 175.650 175.650 175.026 0.624 17838 7836 1 10 . 1 1 53 53 ARG CA C 322 56.620 56.620 57.464 -0.844 17838 7837 1 10 . 1 1 53 53 ARG CB C 322 29.960 29.960 29.815 0.145 17838 7838 1 10 . 1 1 53 53 ARG H H 322 8.700 8.700 8.870 -0.170 17838 7839 1 10 . 1 1 54 54 LEU N N 323 127.220 127.220 125.898 1.322 17838 7840 1 10 . 1 1 54 54 LEU HA H 323 4.350 4.350 4.477 -0.127 17838 7841 1 10 . 1 1 54 54 LEU C C 323 177.380 177.380 176.389 0.991 17838 7842 1 10 . 1 1 54 54 LEU CA C 323 56.230 56.230 54.901 1.329 17838 7843 1 10 . 1 1 54 54 LEU CB C 323 42.950 42.950 43.745 -0.795 17838 7844 1 10 . 1 1 54 54 LEU H H 323 9.270 9.270 8.325 0.945 17838 7845 1 10 . 1 1 55 55 LYS N N 324 115.210 115.210 118.695 -3.485 17838 7846 1 10 . 1 1 55 55 LYS HA H 324 4.670 4.670 4.664 0.006 17838 7847 1 10 . 1 1 55 55 LYS C C 324 174.480 174.480 174.383 0.097 17838 7848 1 10 . 1 1 55 55 LYS CA C 324 54.460 54.460 54.128 0.332 17838 7849 1 10 . 1 1 55 55 LYS CB C 324 37.580 37.580 34.965 2.615 17838 7850 1 10 . 1 1 55 55 LYS H H 324 7.410 7.410 7.844 -0.434 17838 7851 1 10 . 1 1 56 56 LYS N N 325 122.420 122.420 118.628 3.792 17838 7852 1 10 . 1 1 56 56 LYS HA H 325 5.320 5.320 4.704 0.616 17838 7853 1 10 . 1 1 56 56 LYS C C 325 174.700 174.700 175.474 -0.774 17838 7854 1 10 . 1 1 56 56 LYS CA C 325 54.970 54.970 55.422 -0.452 17838 7855 1 10 . 1 1 56 56 LYS CB C 325 35.730 35.730 35.042 0.688 17838 7856 1 10 . 1 1 56 56 LYS H H 325 8.470 8.470 8.266 0.204 17838 7857 1 10 . 1 1 57 57 LYS N N 326 122.740 122.740 120.505 2.235 17838 7858 1 10 . 1 1 57 57 LYS HA H 326 4.630 4.630 4.701 -0.071 17838 7859 1 10 . 1 1 57 57 LYS C C 326 174.330 174.330 174.274 0.056 17838 7860 1 10 . 1 1 57 57 LYS CA C 326 53.560 53.560 55.937 -2.377 17838 7861 1 10 . 1 1 57 57 LYS CB C 326 37.960 37.960 37.293 0.667 17838 7862 1 10 . 1 1 57 57 LYS H H 326 8.850 8.850 8.375 0.475 17838 7863 1 10 . 1 1 58 58 LYS N N 327 118.070 118.070 122.393 -4.323 17838 7864 1 10 . 1 1 58 58 LYS HA H 327 5.380 5.380 4.637 0.743 17838 7865 1 10 . 1 1 58 58 LYS C C 327 174.810 174.810 175.303 -0.493 17838 7866 1 10 . 1 1 58 58 LYS CA C 327 55.120 55.120 54.839 0.281 17838 7867 1 10 . 1 1 58 58 LYS CB C 327 36.900 36.900 35.037 1.863 17838 7868 1 10 . 1 1 58 58 LYS H H 327 8.310 8.310 8.378 -0.068 17838 7869 1 10 . 1 1 59 59 THR N N 328 110.590 110.590 115.634 -5.044 17838 7870 1 10 . 1 1 59 59 THR HA H 328 4.850 4.850 4.748 0.102 17838 7871 1 10 . 1 1 59 59 THR C C 328 175.550 175.550 174.587 0.963 17838 7872 1 10 . 1 1 59 59 THR CA C 328 60.950 60.950 60.297 0.653 17838 7873 1 10 . 1 1 59 59 THR CB C 328 73.290 73.290 70.439 2.851 17838 7874 1 10 . 1 1 59 59 THR H H 328 8.650 8.650 8.094 0.556 17838 7875 1 10 . 1 1 60 60 THR N N 329 109.520 109.520 124.564 -15.044 17838 7876 1 10 . 1 1 60 60 THR HA H 329 4.120 4.120 4.415 -0.295 17838 7877 1 10 . 1 1 60 60 THR C C 329 173.570 173.570 173.861 -0.291 17838 7878 1 10 . 1 1 60 60 THR CA C 329 62.710 62.710 61.635 1.075 17838 7879 1 10 . 1 1 60 60 THR CB C 329 70.920 70.920 68.278 2.642 17838 7880 1 10 . 1 1 60 60 THR H H 329 9.420 9.420 8.832 0.588 17838 7881 1 10 . 1 1 61 61 ILE N N 330 119.070 119.070 122.862 -3.792 17838 7882 1 10 . 1 1 61 61 ILE HA H 330 4.230 4.230 3.659 0.571 17838 7883 1 10 . 1 1 61 61 ILE C C 330 177.050 177.050 175.277 1.773 17838 7884 1 10 . 1 1 61 61 ILE CA C 330 61.060 61.060 60.845 0.215 17838 7885 1 10 . 1 1 61 61 ILE CB C 330 40.200 40.200 38.557 1.643 17838 7886 1 10 . 1 1 61 61 ILE H H 330 8.060 8.060 7.108 0.952 17838 7887 1 10 . 1 1 62 62 LYS N N 331 127.440 127.440 121.029 6.411 17838 7888 1 10 . 1 1 62 62 LYS HA H 331 4.620 4.620 4.507 0.113 17838 7889 1 10 . 1 1 62 62 LYS C C 331 174.080 174.080 175.652 -1.572 17838 7890 1 10 . 1 1 62 62 LYS CA C 331 52.170 52.170 54.513 -2.343 17838 7891 1 10 . 1 1 62 62 LYS CB C 331 31.610 31.610 34.097 -2.487 17838 7892 1 10 . 1 1 62 62 LYS H H 331 7.970 7.970 8.461 -0.491 17838 7893 1 10 . 1 1 63 63 LYS N N 332 118.220 118.220 117.971 0.249 17838 7894 1 10 . 1 1 63 63 LYS HA H 332 4.630 4.630 4.348 0.282 17838 7895 1 10 . 1 1 63 63 LYS C C 332 177.270 177.270 176.872 0.398 17838 7896 1 10 . 1 1 63 63 LYS CA C 332 55.310 55.310 55.772 -0.462 17838 7897 1 10 . 1 1 63 63 LYS CB C 332 33.550 33.550 33.459 0.091 17838 7898 1 10 . 1 1 63 63 LYS H H 332 8.000 8.000 8.087 -0.087 17838 7899 1 10 . 1 1 64 64 ASN N N 333 122.920 122.920 119.227 3.693 17838 7900 1 10 . 1 1 64 64 ASN HA H 333 4.250 4.250 4.452 -0.202 17838 7901 1 10 . 1 1 64 64 ASN C C 333 173.470 173.470 173.829 -0.359 17838 7902 1 10 . 1 1 64 64 ASN CA C 333 54.030 54.030 54.418 -0.388 17838 7903 1 10 . 1 1 64 64 ASN CB C 333 37.910 37.910 37.163 0.747 17838 7904 1 10 . 1 1 64 64 ASN H H 333 9.710 9.710 9.561 0.149 17838 7905 1 10 . 1 1 65 65 THR N N 334 112.090 112.090 109.602 2.488 17838 7906 1 10 . 1 1 65 65 THR HA H 334 4.600 4.600 4.588 0.012 17838 7907 1 10 . 1 1 65 65 THR C C 334 170.000 170.000 173.642 -3.642 17838 7908 1 10 . 1 1 65 65 THR CA C 334 60.580 60.580 60.285 0.296 17838 7909 1 10 . 1 1 65 65 THR CB C 334 68.600 68.600 71.519 -2.920 17838 7910 1 10 . 1 1 65 65 THR H H 334 8.630 8.630 8.039 0.591 17838 7911 1 10 . 1 1 66 66 LEU N N 335 121.880 121.880 120.111 1.769 17838 7912 1 10 . 1 1 66 66 LEU HA H 335 4.500 4.500 4.434 0.066 17838 7913 1 10 . 1 1 66 66 LEU C C 335 173.970 173.970 175.644 -1.674 17838 7914 1 10 . 1 1 66 66 LEU CA C 335 52.790 52.790 55.371 -2.581 17838 7915 1 10 . 1 1 66 66 LEU CB C 335 40.560 40.560 42.523 -1.963 17838 7916 1 10 . 1 1 66 66 LEU H H 335 8.530 8.530 8.310 0.220 17838 7917 1 10 . 1 1 67 67 ASN N N 336 115.420 115.420 117.905 -2.485 17838 7918 1 10 . 1 1 67 67 ASN HA H 336 5.500 5.500 5.512 -0.012 17838 7919 1 10 . 1 1 67 67 ASN CA C 336 51.190 51.190 50.285 0.905 17838 7920 1 10 . 1 1 67 67 ASN CB C 336 41.620 41.620 39.911 1.709 17838 7921 1 10 . 1 1 67 67 ASN H H 336 8.540 8.540 7.997 0.543 17838 7922 1 10 . 1 1 68 68 PRO HA H 337 4.170 4.170 4.399 -0.229 17838 7923 1 10 . 1 1 68 68 PRO C C 337 173.480 173.480 175.224 -1.744 17838 7924 1 10 . 1 1 68 68 PRO CA C 337 62.710 62.710 63.388 -0.678 17838 7925 1 10 . 1 1 68 68 PRO CB C 337 32.610 32.610 30.649 1.961 17838 7926 1 10 . 1 1 69 69 TYR N N 338 120.550 120.550 126.285 -5.735 17838 7927 1 10 . 1 1 69 69 TYR HA H 338 4.470 4.470 4.865 -0.395 17838 7928 1 10 . 1 1 69 69 TYR C C 338 174.390 174.390 173.514 0.876 17838 7929 1 10 . 1 1 69 69 TYR CA C 338 57.740 57.740 56.722 1.018 17838 7930 1 10 . 1 1 69 69 TYR CB C 338 40.530 40.530 41.694 -1.163 17838 7931 1 10 . 1 1 69 69 TYR H H 338 8.060 8.060 8.028 0.032 17838 7932 1 10 . 1 1 70 70 TYR N N 339 122.140 122.140 127.084 -4.944 17838 7933 1 10 . 1 1 70 70 TYR HA H 339 4.400 4.400 3.994 0.406 17838 7934 1 10 . 1 1 70 70 TYR C C 339 175.190 175.190 173.867 1.323 17838 7935 1 10 . 1 1 70 70 TYR CA C 339 59.040 59.040 58.643 0.397 17838 7936 1 10 . 1 1 70 70 TYR CB C 339 40.290 40.290 41.723 -1.433 17838 7937 1 10 . 1 1 70 70 TYR H H 339 8.080 8.080 7.821 0.259 17838 7938 1 10 . 1 1 71 71 ASN N N 340 120.260 120.260 119.654 0.606 17838 7939 1 10 . 1 1 71 71 ASN HA H 340 4.080 4.080 4.605 -0.525 17838 7940 1 10 . 1 1 71 71 ASN C C 340 173.510 173.510 174.021 -0.511 17838 7941 1 10 . 1 1 71 71 ASN CA C 340 53.960 53.960 53.985 -0.025 17838 7942 1 10 . 1 1 71 71 ASN CB C 340 37.450 37.450 37.866 -0.416 17838 7943 1 10 . 1 1 71 71 ASN H H 340 8.130 8.130 7.886 0.244 17838 7944 1 10 . 1 1 72 72 GLU N N 341 117.370 117.370 123.297 -5.927 17838 7945 1 10 . 1 1 72 72 GLU HA H 341 4.300 4.300 4.605 -0.305 17838 7946 1 10 . 1 1 72 72 GLU C C 341 173.000 173.000 174.899 -1.899 17838 7947 1 10 . 1 1 72 72 GLU CA C 341 55.470 55.470 54.865 0.605 17838 7948 1 10 . 1 1 72 72 GLU CB C 341 33.320 33.320 34.025 -0.705 17838 7949 1 10 . 1 1 72 72 GLU H H 341 7.530 7.530 7.867 -0.337 17838 7950 1 10 . 1 1 73 73 SER N N 342 117.330 117.330 117.974 -0.644 17838 7951 1 10 . 1 1 73 73 SER HA H 342 4.740 4.740 4.771 -0.031 17838 7952 1 10 . 1 1 73 73 SER C C 342 172.930 172.930 173.651 -0.721 17838 7953 1 10 . 1 1 73 73 SER CA C 342 56.810 56.810 57.503 -0.693 17838 7954 1 10 . 1 1 73 73 SER CB C 342 64.720 64.720 63.462 1.258 17838 7955 1 10 . 1 1 73 73 SER H H 342 8.010 8.010 8.566 -0.556 17838 7956 1 10 . 1 1 74 74 PHE N N 343 123.520 123.520 127.310 -3.790 17838 7957 1 10 . 1 1 74 74 PHE HA H 343 4.480 4.480 4.684 -0.204 17838 7958 1 10 . 1 1 74 74 PHE C C 343 173.480 173.480 175.160 -1.680 17838 7959 1 10 . 1 1 74 74 PHE CA C 343 57.280 57.280 56.840 0.440 17838 7960 1 10 . 1 1 74 74 PHE CB C 343 43.130 43.130 38.777 4.353 17838 7961 1 10 . 1 1 74 74 PHE H H 343 8.780 8.780 8.981 -0.201 17838 7962 1 10 . 1 1 75 75 SER N N 344 116.700 116.700 120.714 -4.014 17838 7963 1 10 . 1 1 75 75 SER HA H 344 5.480 5.480 5.858 -0.378 17838 7964 1 10 . 1 1 75 75 SER C C 344 172.170 172.170 173.876 -1.706 17838 7965 1 10 . 1 1 75 75 SER CA C 344 57.210 57.210 57.507 -0.297 17838 7966 1 10 . 1 1 75 75 SER CB C 344 66.140 66.140 64.751 1.389 17838 7967 1 10 . 1 1 75 75 SER H H 344 8.430 8.430 8.728 -0.298 17838 7968 1 10 . 1 1 76 76 PHE N N 345 119.990 119.990 123.098 -3.108 17838 7969 1 10 . 1 1 76 76 PHE HA H 345 4.800 4.800 4.737 0.063 17838 7970 1 10 . 1 1 76 76 PHE C C 345 173.440 173.440 173.376 0.064 17838 7971 1 10 . 1 1 76 76 PHE CA C 345 56.080 56.080 55.953 0.127 17838 7972 1 10 . 1 1 76 76 PHE CB C 345 43.520 43.520 42.581 0.939 17838 7973 1 10 . 1 1 76 76 PHE H H 345 9.440 9.440 8.794 0.646 17838 7974 1 10 . 1 1 77 77 GLU N N 346 124.120 124.120 129.481 -5.361 17838 7975 1 10 . 1 1 77 77 GLU HA H 346 4.890 4.890 4.302 0.588 17838 7976 1 10 . 1 1 77 77 GLU C C 346 175.510 175.510 175.066 0.444 17838 7977 1 10 . 1 1 77 77 GLU CA C 346 55.880 55.880 55.764 0.116 17838 7978 1 10 . 1 1 77 77 GLU CB C 346 29.220 29.220 28.736 0.484 17838 7979 1 10 . 1 1 77 77 GLU H H 346 9.000 9.000 8.773 0.227 17838 7980 1 10 . 1 1 78 78 VAL N N 347 125.140 125.140 118.871 6.269 17838 7981 1 10 . 1 1 78 78 VAL HA H 347 4.390 4.390 4.454 -0.064 17838 7982 1 10 . 1 1 78 78 VAL CA C 347 59.350 59.350 58.068 1.282 17838 7983 1 10 . 1 1 78 78 VAL CB C 347 35.710 35.710 34.222 1.488 17838 7984 1 10 . 1 1 78 78 VAL H H 347 8.470 8.470 7.630 0.840 17838 7985 1 10 . 1 1 79 79 PRO HA H 348 4.550 4.550 4.862 -0.312 17838 7986 1 10 . 1 1 79 79 PRO C C 348 177.330 177.330 177.986 -0.656 17838 7987 1 10 . 1 1 79 79 PRO CA C 348 62.850 62.850 62.765 0.085 17838 7988 1 10 . 1 1 79 79 PRO CB C 348 32.870 32.870 32.249 0.621 17838 7989 1 10 . 1 1 80 80 PHE N N 349 125.590 125.590 118.705 6.885 17838 7990 1 10 . 1 1 80 80 PHE HA H 349 4.610 4.610 3.871 0.739 17838 7991 1 10 . 1 1 80 80 PHE C C 349 177.630 177.630 176.079 1.551 17838 7992 1 10 . 1 1 80 80 PHE CA C 349 61.050 61.050 60.276 0.773 17838 7993 1 10 . 1 1 80 80 PHE CB C 349 38.960 38.960 38.313 0.647 17838 7994 1 10 . 1 1 80 80 PHE H H 349 9.250 9.250 8.847 0.403 17838 7995 1 10 . 1 1 81 81 GLU N N 350 116.260 116.260 116.808 -0.548 17838 7996 1 10 . 1 1 81 81 GLU HA H 350 3.870 3.870 3.771 0.099 17838 7997 1 10 . 1 1 81 81 GLU C C 350 176.960 176.960 177.226 -0.266 17838 7998 1 10 . 1 1 81 81 GLU CA C 350 58.870 58.870 57.013 1.857 17838 7999 1 10 . 1 1 81 81 GLU CB C 350 28.590 28.590 28.464 0.126 17838 8000 1 10 . 1 1 81 81 GLU H H 350 9.120 9.120 7.718 1.402 17838 8001 1 10 . 1 1 82 82 GLN N N 351 116.390 116.390 118.447 -2.057 17838 8002 1 10 . 1 1 82 82 GLN HA H 351 4.300 4.300 4.158 0.142 17838 8003 1 10 . 1 1 82 82 GLN C C 351 177.670 177.670 177.980 -0.310 17838 8004 1 10 . 1 1 82 82 GLN CA C 351 55.020 55.020 57.275 -2.255 17838 8005 1 10 . 1 1 82 82 GLN CB C 351 30.360 30.360 29.625 0.735 17838 8006 1 10 . 1 1 82 82 GLN H H 351 8.080 8.080 7.334 0.746 17838 8007 1 10 . 1 1 83 83 ILE N N 352 120.350 120.350 121.086 -0.736 17838 8008 1 10 . 1 1 83 83 ILE HA H 352 3.900 3.900 3.838 0.062 17838 8009 1 10 . 1 1 83 83 ILE C C 352 174.820 174.820 175.558 -0.738 17838 8010 1 10 . 1 1 83 83 ILE CA C 352 60.850 60.850 63.986 -3.136 17838 8011 1 10 . 1 1 83 83 ILE CB C 352 38.610 38.610 38.088 0.522 17838 8012 1 10 . 1 1 83 83 ILE H H 352 7.110 7.110 8.119 -1.009 17838 8013 1 10 . 1 1 84 84 GLN N N 353 116.230 116.230 114.573 1.657 17838 8014 1 10 . 1 1 84 84 GLN HA H 353 4.290 4.290 4.646 -0.356 17838 8015 1 10 . 1 1 84 84 GLN C C 353 176.520 176.520 175.569 0.951 17838 8016 1 10 . 1 1 84 84 GLN CA C 353 57.040 57.040 56.033 1.007 17838 8017 1 10 . 1 1 84 84 GLN CB C 353 27.700 27.700 27.674 0.026 17838 8018 1 10 . 1 1 84 84 GLN H H 353 8.110 8.110 8.484 -0.374 17838 8019 1 10 . 1 1 85 85 LYS N N 354 114.900 114.900 116.871 -1.971 17838 8020 1 10 . 1 1 85 85 LYS HA H 354 4.010 4.010 4.357 -0.347 17838 8021 1 10 . 1 1 85 85 LYS C C 354 175.920 175.920 175.618 0.302 17838 8022 1 10 . 1 1 85 85 LYS CA C 354 55.090 55.090 55.991 -0.901 17838 8023 1 10 . 1 1 85 85 LYS CB C 354 33.610 33.610 33.609 0.001 17838 8024 1 10 . 1 1 85 85 LYS H H 354 7.750 7.750 7.815 -0.065 17838 8025 1 10 . 1 1 86 86 VAL N N 355 112.960 112.960 114.034 -1.074 17838 8026 1 10 . 1 1 86 86 VAL HA H 355 4.810 4.810 4.521 0.289 17838 8027 1 10 . 1 1 86 86 VAL C C 355 174.780 174.780 173.798 0.982 17838 8028 1 10 . 1 1 86 86 VAL CA C 355 60.450 60.450 59.502 0.948 17838 8029 1 10 . 1 1 86 86 VAL CB C 355 34.320 34.320 34.898 -0.578 17838 8030 1 10 . 1 1 86 86 VAL H H 355 6.900 6.900 7.276 -0.376 17838 8031 1 10 . 1 1 87 87 GLN N N 356 118.230 118.230 119.598 -1.368 17838 8032 1 10 . 1 1 87 87 GLN HA H 356 4.370 4.370 4.798 -0.428 17838 8033 1 10 . 1 1 87 87 GLN C C 356 174.390 174.390 173.957 0.433 17838 8034 1 10 . 1 1 87 87 GLN CA C 356 54.410 54.410 55.123 -0.713 17838 8035 1 10 . 1 1 87 87 GLN CB C 356 30.820 30.820 31.950 -1.130 17838 8036 1 10 . 1 1 87 87 GLN H H 356 8.560 8.560 7.994 0.566 17838 8037 1 10 . 1 1 88 88 VAL N N 357 122.080 122.080 126.938 -4.858 17838 8038 1 10 . 1 1 88 88 VAL HA H 357 4.580 4.580 4.568 0.012 17838 8039 1 10 . 1 1 88 88 VAL C C 357 173.860 173.860 173.560 0.300 17838 8040 1 10 . 1 1 88 88 VAL CA C 357 61.190 61.190 60.796 0.394 17838 8041 1 10 . 1 1 88 88 VAL CB C 357 31.950 31.950 33.951 -2.001 17838 8042 1 10 . 1 1 88 88 VAL H H 357 8.300 8.300 9.088 -0.788 17838 8043 1 10 . 1 1 89 89 VAL N N 358 127.800 127.800 127.739 0.061 17838 8044 1 10 . 1 1 89 89 VAL HA H 358 4.270 4.270 5.172 -0.902 17838 8045 1 10 . 1 1 89 89 VAL C C 358 174.840 174.840 174.179 0.661 17838 8046 1 10 . 1 1 89 89 VAL CA C 358 61.240 61.240 59.203 2.037 17838 8047 1 10 . 1 1 89 89 VAL CB C 358 33.020 33.020 35.579 -2.559 17838 8048 1 10 . 1 1 89 89 VAL H H 358 9.010 9.010 9.130 -0.120 17838 8049 1 10 . 1 1 90 90 VAL N N 359 129.800 129.800 129.308 0.492 17838 8050 1 10 . 1 1 90 90 VAL HA H 359 4.490 4.490 4.190 0.300 17838 8051 1 10 . 1 1 90 90 VAL C C 359 173.580 173.580 175.351 -1.771 17838 8052 1 10 . 1 1 90 90 VAL CA C 359 61.480 61.480 61.266 0.214 17838 8053 1 10 . 1 1 90 90 VAL CB C 359 33.530 33.530 31.182 2.348 17838 8054 1 10 . 1 1 90 90 VAL H H 359 9.120 9.120 8.951 0.169 17838 8055 1 10 . 1 1 91 91 THR N N 360 122.290 122.290 122.535 -0.245 17838 8056 1 10 . 1 1 91 91 THR HA H 360 4.770 4.770 4.529 0.241 17838 8057 1 10 . 1 1 91 91 THR C C 360 173.010 173.010 174.224 -1.214 17838 8058 1 10 . 1 1 91 91 THR CA C 360 61.360 61.360 61.468 -0.108 17838 8059 1 10 . 1 1 91 91 THR CB C 360 70.860 70.860 68.457 2.402 17838 8060 1 10 . 1 1 91 91 THR H H 360 8.750 8.750 9.016 -0.266 17838 8061 1 10 . 1 1 92 92 VAL N N 361 125.180 125.180 128.209 -3.029 17838 8062 1 10 . 1 1 92 92 VAL HA H 361 4.670 4.670 4.316 0.354 17838 8063 1 10 . 1 1 92 92 VAL C C 361 174.220 174.220 174.349 -0.129 17838 8064 1 10 . 1 1 92 92 VAL CA C 361 61.000 61.000 62.551 -1.551 17838 8065 1 10 . 1 1 92 92 VAL CB C 361 31.960 31.960 32.519 -0.559 17838 8066 1 10 . 1 1 92 92 VAL H H 361 8.580 8.580 8.255 0.325 17838 8067 1 10 . 1 1 93 93 LEU N N 362 127.950 127.950 126.890 1.060 17838 8068 1 10 . 1 1 93 93 LEU HA H 362 4.750 4.750 4.638 0.112 17838 8069 1 10 . 1 1 93 93 LEU C C 362 173.470 173.470 174.428 -0.958 17838 8070 1 10 . 1 1 93 93 LEU CA C 362 55.470 55.470 53.964 1.506 17838 8071 1 10 . 1 1 93 93 LEU CB C 362 44.440 44.440 46.828 -2.388 17838 8072 1 10 . 1 1 93 93 LEU H H 362 8.860 8.860 7.958 0.902 17838 8073 1 10 . 1 1 94 94 ASP N N 363 116.580 116.580 117.901 -1.321 17838 8074 1 10 . 1 1 94 94 ASP HA H 363 4.810 4.810 5.219 -0.409 17838 8075 1 10 . 1 1 94 94 ASP C C 363 175.870 175.870 174.503 1.367 17838 8076 1 10 . 1 1 94 94 ASP CA C 363 52.020 52.020 52.505 -0.485 17838 8077 1 10 . 1 1 94 94 ASP CB C 363 44.160 44.160 44.546 -0.386 17838 8078 1 10 . 1 1 94 94 ASP H H 363 8.380 8.380 8.146 0.234 17838 8079 1 10 . 1 1 95 95 TYR N N 364 127.590 127.590 120.836 6.754 17838 8080 1 10 . 1 1 95 95 TYR HA H 364 4.310 4.310 4.710 -0.400 17838 8081 1 10 . 1 1 95 95 TYR C C 364 175.260 175.260 174.874 0.386 17838 8082 1 10 . 1 1 95 95 TYR CA C 364 59.750 59.750 55.033 4.717 17838 8083 1 10 . 1 1 95 95 TYR CB C 364 39.300 39.300 38.207 1.093 17838 8084 1 10 . 1 1 95 95 TYR H H 364 9.380 9.380 8.717 0.663 17838 8085 1 10 . 1 1 96 96 ASP N N 365 131.500 131.500 122.996 8.504 17838 8086 1 10 . 1 1 96 96 ASP HA H 365 4.590 4.590 4.342 0.248 17838 8087 1 10 . 1 1 96 96 ASP C C 365 172.480 172.480 175.710 -3.230 17838 8088 1 10 . 1 1 96 96 ASP CA C 365 52.630 52.630 55.977 -3.347 17838 8089 1 10 . 1 1 96 96 ASP CB C 365 41.910 41.910 41.003 0.907 17838 8090 1 10 . 1 1 96 96 ASP H H 365 7.800 7.800 8.179 -0.379 17838 8091 1 10 . 1 1 97 97 LYS N N 366 120.720 120.720 124.004 -3.284 17838 8092 1 10 . 1 1 97 97 LYS HA H 366 3.840 3.840 3.993 -0.153 17838 8093 1 10 . 1 1 97 97 LYS C C 366 176.440 176.440 175.857 0.583 17838 8094 1 10 . 1 1 97 97 LYS CA C 366 58.400 58.400 57.192 1.208 17838 8095 1 10 . 1 1 97 97 LYS CB C 366 33.030 33.030 30.783 2.247 17838 8096 1 10 . 1 1 97 97 LYS H H 366 8.030 8.030 8.840 -0.810 17838 8097 1 10 . 1 1 98 98 ILE N N 367 117.460 117.460 114.841 2.619 17838 8098 1 10 . 1 1 98 98 ILE HA H 367 4.080 4.080 3.825 0.255 17838 8099 1 10 . 1 1 98 98 ILE C C 367 176.200 176.200 175.602 0.598 17838 8100 1 10 . 1 1 98 98 ILE CA C 367 60.910 60.910 62.121 -1.211 17838 8101 1 10 . 1 1 98 98 ILE CB C 367 38.440 38.440 36.475 1.965 17838 8102 1 10 . 1 1 98 98 ILE H H 367 7.790 7.790 8.590 -0.800 17838 8103 1 10 . 1 1 99 99 GLY N N 368 113.730 113.730 111.100 2.630 17838 8104 1 10 . 1 1 99 99 GLY C C 368 173.460 173.460 172.816 0.644 17838 8105 1 10 . 1 1 99 99 GLY CA C 368 44.190 44.190 45.387 -1.197 17838 8106 1 10 . 1 1 99 99 GLY H H 368 8.160 8.160 7.907 0.253 17838 8107 1 10 . 1 1 100 100 LYS N N 369 119.980 119.980 121.681 -1.701 17838 8108 1 10 . 1 1 100 100 LYS HA H 369 4.260 4.260 4.672 -0.412 17838 8109 1 10 . 1 1 100 100 LYS C C 369 175.270 175.270 174.720 0.550 17838 8110 1 10 . 1 1 100 100 LYS CA C 369 56.030 56.030 55.594 0.436 17838 8111 1 10 . 1 1 100 100 LYS CB C 369 33.090 33.090 33.849 -0.759 17838 8112 1 10 . 1 1 100 100 LYS H H 369 8.020 8.020 8.312 -0.292 17838 8113 1 10 . 1 1 101 101 ASN N N 370 124.530 124.530 124.113 0.417 17838 8114 1 10 . 1 1 101 101 ASN HA H 370 5.040 5.040 4.951 0.089 17838 8115 1 10 . 1 1 101 101 ASN CA C 370 52.230 52.230 51.884 0.346 17838 8116 1 10 . 1 1 101 101 ASN CB C 370 38.490 38.490 41.335 -2.845 17838 8117 1 10 . 1 1 101 101 ASN H H 370 8.730 8.730 8.541 0.189 17838 8118 1 10 . 1 1 102 102 ASP N N 371 123.520 123.520 118.703 4.817 17838 8119 1 10 . 1 1 102 102 ASP HA H 371 4.590 4.590 4.658 -0.068 17838 8120 1 10 . 1 1 102 102 ASP CA C 371 53.980 53.980 53.663 0.317 17838 8121 1 10 . 1 1 102 102 ASP CB C 371 42.940 42.940 42.508 0.432 17838 8122 1 10 . 1 1 102 102 ASP H H 371 8.550 8.550 8.331 0.219 17838 8123 1 10 . 1 1 103 103 ALA N N 372 124.120 124.120 122.111 2.009 17838 8124 1 10 . 1 1 103 103 ALA HA H 372 4.210 4.210 4.193 0.017 17838 8125 1 10 . 1 1 103 103 ALA C C 372 177.140 177.140 176.213 0.927 17838 8126 1 10 . 1 1 103 103 ALA CA C 372 52.910 52.910 53.142 -0.231 17838 8127 1 10 . 1 1 103 103 ALA CB C 372 17.740 17.740 17.119 0.621 17838 8128 1 10 . 1 1 103 103 ALA H H 372 8.870 8.870 8.534 0.336 17838 8129 1 10 . 1 1 104 104 ILE N N 373 123.110 123.110 117.334 5.776 17838 8130 1 10 . 1 1 104 104 ILE HA H 373 3.850 3.850 4.375 -0.525 17838 8131 1 10 . 1 1 104 104 ILE C C 373 176.450 176.450 176.427 0.023 17838 8132 1 10 . 1 1 104 104 ILE CA C 373 64.670 64.670 60.376 4.294 17838 8133 1 10 . 1 1 104 104 ILE CB C 373 38.900 38.900 39.704 -0.804 17838 8134 1 10 . 1 1 104 104 ILE H H 373 9.490 9.490 7.887 1.603 17838 8135 1 10 . 1 1 105 105 GLY N N 374 99.210 99.210 107.512 -8.302 17838 8136 1 10 . 1 1 105 105 GLY C C 374 170.160 170.160 171.658 -1.498 17838 8137 1 10 . 1 1 105 105 GLY CA C 374 46.130 46.130 45.155 0.975 17838 8138 1 10 . 1 1 105 105 GLY H H 374 7.310 7.310 7.869 -0.559 17838 8139 1 10 . 1 1 106 106 LYS N N 375 119.580 119.580 121.148 -1.568 17838 8140 1 10 . 1 1 106 106 LYS HA H 375 5.520 5.520 5.377 0.143 17838 8141 1 10 . 1 1 106 106 LYS C C 375 173.600 173.600 174.630 -1.030 17838 8142 1 10 . 1 1 106 106 LYS CA C 375 55.130 55.130 55.360 -0.230 17838 8143 1 10 . 1 1 106 106 LYS CB C 375 39.040 39.040 36.719 2.321 17838 8144 1 10 . 1 1 106 106 LYS H H 375 9.600 9.600 8.376 1.224 17838 8145 1 10 . 1 1 107 107 VAL N N 376 116.620 116.620 122.558 -5.938 17838 8146 1 10 . 1 1 107 107 VAL HA H 376 4.670 4.670 3.831 0.839 17838 8147 1 10 . 1 1 107 107 VAL C C 376 172.040 172.040 172.942 -0.902 17838 8148 1 10 . 1 1 107 107 VAL CA C 376 60.670 60.670 59.447 1.223 17838 8149 1 10 . 1 1 107 107 VAL CB C 376 35.220 35.220 35.452 -0.232 17838 8150 1 10 . 1 1 107 107 VAL H H 376 8.910 8.910 7.766 1.144 17838 8151 1 10 . 1 1 108 108 PHE N N 377 120.920 120.920 124.441 -3.521 17838 8152 1 10 . 1 1 108 108 PHE HA H 377 5.690 5.690 5.308 0.382 17838 8153 1 10 . 1 1 108 108 PHE CA C 377 55.460 55.460 55.081 0.379 17838 8154 1 10 . 1 1 108 108 PHE CB C 377 44.420 44.420 40.214 4.206 17838 8155 1 10 . 1 1 108 108 PHE H H 377 8.560 8.560 7.775 0.785 17838 8156 1 10 . 1 1 109 109 VAL N N 378 108.500 108.500 116.573 -8.073 17838 8157 1 10 . 1 1 109 109 VAL HA H 378 4.150 4.150 4.603 -0.453 17838 8158 1 10 . 1 1 109 109 VAL CA C 378 58.140 58.140 59.808 -1.668 17838 8159 1 10 . 1 1 109 109 VAL CB C 378 33.750 33.750 33.935 -0.185 17838 8160 1 10 . 1 1 109 109 VAL H H 378 8.320 8.320 8.848 -0.528 17838 8161 1 10 . 1 1 110 110 GLY CA C 379 41.340 41.340 44.641 -3.301 17838 8162 1 10 . 1 1 111 111 TYR HA H 380 4.010 4.010 4.100 -0.090 17838 8163 1 10 . 1 1 111 111 TYR CA C 380 59.880 59.880 60.691 -0.811 17838 8164 1 10 . 1 1 111 111 TYR CB C 380 37.860 37.860 39.032 -1.172 17838 8165 1 10 . 1 1 112 112 ASN HA H 381 4.250 4.250 4.203 0.047 17838 8166 1 10 . 1 1 112 112 ASN CA C 381 54.170 54.170 52.523 1.647 17838 8167 1 10 . 1 1 112 112 ASN CB C 381 37.810 37.810 36.116 1.694 17838 8168 1 10 . 1 1 113 113 SER HA H 382 4.140 4.140 4.579 -0.439 17838 8169 1 10 . 1 1 113 113 SER C C 382 172.760 172.760 174.449 -1.689 17838 8170 1 10 . 1 1 113 113 SER CA C 382 58.610 58.610 56.908 1.702 17838 8171 1 10 . 1 1 113 113 SER CB C 382 64.620 64.620 64.953 -0.333 17838 8172 1 10 . 1 1 114 114 THR N N 383 106.230 106.230 118.040 -11.810 17838 8173 1 10 . 1 1 114 114 THR HA H 383 4.730 4.730 4.418 0.312 17838 8174 1 10 . 1 1 114 114 THR C C 383 176.030 176.030 176.095 -0.065 17838 8175 1 10 . 1 1 114 114 THR CA C 383 60.120 60.120 62.503 -2.383 17838 8176 1 10 . 1 1 114 114 THR CB C 383 72.950 72.950 69.656 3.294 17838 8177 1 10 . 1 1 114 114 THR H H 383 7.710 7.710 8.336 -0.626 17838 8178 1 10 . 1 1 115 115 GLY N N 384 108.400 108.400 109.646 -1.246 17838 8179 1 10 . 1 1 115 115 GLY C C 384 175.920 175.920 176.486 -0.566 17838 8180 1 10 . 1 1 115 115 GLY CA C 384 47.150 47.150 47.444 -0.294 17838 8181 1 10 . 1 1 115 115 GLY H H 384 8.840 8.840 8.622 0.218 17838 8182 1 10 . 1 1 116 116 ALA N N 385 129.610 129.610 124.240 5.370 17838 8183 1 10 . 1 1 116 116 ALA HA H 385 4.110 4.110 4.116 -0.006 17838 8184 1 10 . 1 1 116 116 ALA C C 385 179.670 179.670 180.198 -0.528 17838 8185 1 10 . 1 1 116 116 ALA CA C 385 54.310 54.310 54.980 -0.670 17838 8186 1 10 . 1 1 116 116 ALA CB C 385 18.100 18.100 18.566 -0.466 17838 8187 1 10 . 1 1 116 116 ALA H H 385 9.310 9.310 8.259 1.051 17838 8188 1 10 . 1 1 117 117 GLU N N 386 121.720 121.720 119.096 2.624 17838 8189 1 10 . 1 1 117 117 GLU HA H 386 4.110 4.110 4.180 -0.070 17838 8190 1 10 . 1 1 117 117 GLU C C 386 175.960 175.960 179.126 -3.166 17838 8191 1 10 . 1 1 117 117 GLU CA C 386 62.450 62.450 59.556 2.894 17838 8192 1 10 . 1 1 117 117 GLU CB C 386 29.830 29.830 29.182 0.648 17838 8193 1 10 . 1 1 117 117 GLU H H 386 8.140 8.140 8.108 0.032 17838 8194 1 10 . 1 1 118 118 LEU N N 387 122.820 122.820 122.146 0.674 17838 8195 1 10 . 1 1 118 118 LEU HA H 387 4.140 4.140 4.225 -0.085 17838 8196 1 10 . 1 1 118 118 LEU C C 387 179.580 179.580 178.657 0.923 17838 8197 1 10 . 1 1 118 118 LEU CA C 387 56.900 56.900 57.971 -1.071 17838 8198 1 10 . 1 1 118 118 LEU CB C 387 40.270 40.270 41.779 -1.509 17838 8199 1 10 . 1 1 118 118 LEU H H 387 6.570 6.570 8.476 -1.906 17838 8200 1 10 . 1 1 119 119 ARG N N 388 119.950 119.950 119.021 0.929 17838 8201 1 10 . 1 1 119 119 ARG HA H 388 4.090 4.090 3.950 0.140 17838 8202 1 10 . 1 1 119 119 ARG C C 388 177.240 177.240 178.428 -1.188 17838 8203 1 10 . 1 1 119 119 ARG CA C 388 59.220 59.220 60.025 -0.805 17838 8204 1 10 . 1 1 119 119 ARG CB C 388 29.990 29.990 30.086 -0.096 17838 8205 1 10 . 1 1 119 119 ARG H H 388 8.120 8.120 8.464 -0.344 17838 8206 1 10 . 1 1 120 120 HIS N N 389 118.040 118.040 119.495 -1.455 17838 8207 1 10 . 1 1 120 120 HIS HA H 389 4.560 4.560 4.807 -0.247 17838 8208 1 10 . 1 1 120 120 HIS CA C 389 57.520 57.520 58.056 -0.536 17838 8209 1 10 . 1 1 120 120 HIS CB C 389 32.980 32.980 29.695 3.285 17838 8210 1 10 . 1 1 120 120 HIS H H 389 7.510 7.510 7.823 -0.313 17838 8211 1 10 . 1 1 121 121 TRP N N 390 118.700 118.700 121.190 -2.490 17838 8212 1 10 . 1 1 121 121 TRP HA H 390 4.010 4.010 4.285 -0.275 17838 8213 1 10 . 1 1 121 121 TRP C C 390 176.900 176.900 178.044 -1.144 17838 8214 1 10 . 1 1 121 121 TRP CA C 390 60.240 60.240 61.113 -0.873 17838 8215 1 10 . 1 1 121 121 TRP CB C 390 30.800 30.800 29.771 1.029 17838 8216 1 10 . 1 1 121 121 TRP H H 390 7.650 7.650 8.577 -0.927 17838 8217 1 10 . 1 1 122 122 SER N N 391 113.110 113.110 113.503 -0.393 17838 8218 1 10 . 1 1 122 122 SER HA H 391 4.010 4.010 4.473 -0.463 17838 8219 1 10 . 1 1 122 122 SER C C 391 177.460 177.460 175.692 1.768 17838 8220 1 10 . 1 1 122 122 SER CA C 391 61.970 61.970 60.812 1.158 17838 8221 1 10 . 1 1 122 122 SER CB C 391 62.490 62.490 62.937 -0.447 17838 8222 1 10 . 1 1 122 122 SER H H 391 9.060 9.060 8.367 0.693 17838 8223 1 10 . 1 1 123 123 ASP N N 392 123.980 123.980 120.148 3.832 17838 8224 1 10 . 1 1 123 123 ASP HA H 392 4.380 4.380 4.658 -0.278 17838 8225 1 10 . 1 1 123 123 ASP C C 392 178.830 178.830 176.683 2.147 17838 8226 1 10 . 1 1 123 123 ASP CA C 392 57.570 57.570 55.447 2.123 17838 8227 1 10 . 1 1 123 123 ASP CB C 392 40.040 40.040 41.858 -1.818 17838 8228 1 10 . 1 1 123 123 ASP H H 392 8.870 8.870 8.136 0.734 17838 8229 1 10 . 1 1 124 124 MET N N 393 121.910 121.910 118.114 3.796 17838 8230 1 10 . 1 1 124 124 MET HA H 393 3.970 3.970 4.579 -0.609 17838 8231 1 10 . 1 1 124 124 MET C C 393 179.000 179.000 176.425 2.575 17838 8232 1 10 . 1 1 124 124 MET CA C 393 59.350 59.350 55.852 3.498 17838 8233 1 10 . 1 1 124 124 MET CB C 393 32.590 32.590 34.861 -2.271 17838 8234 1 10 . 1 1 124 124 MET H H 393 7.960 7.960 7.690 0.270 17838 8235 1 10 . 1 1 125 125 LEU N N 394 118.500 118.500 116.956 1.544 17838 8236 1 10 . 1 1 125 125 LEU HA H 394 3.890 3.890 4.756 -0.866 17838 8237 1 10 . 1 1 125 125 LEU C C 394 178.170 178.170 176.759 1.411 17838 8238 1 10 . 1 1 125 125 LEU CA C 394 56.880 56.880 54.573 2.307 17838 8239 1 10 . 1 1 125 125 LEU CB C 394 41.730 41.730 40.964 0.766 17838 8240 1 10 . 1 1 125 125 LEU H H 394 7.610 7.610 7.428 0.182 17838 8241 1 10 . 1 1 126 126 ALA N N 395 118.600 118.600 119.469 -0.869 17838 8242 1 10 . 1 1 126 126 ALA HA H 395 4.220 4.220 4.042 0.178 17838 8243 1 10 . 1 1 126 126 ALA C C 395 176.770 176.770 176.839 -0.069 17838 8244 1 10 . 1 1 126 126 ALA CA C 395 52.850 52.850 53.160 -0.310 17838 8245 1 10 . 1 1 126 126 ALA CB C 395 19.460 19.460 19.383 0.077 17838 8246 1 10 . 1 1 126 126 ALA H H 395 7.850 7.850 7.974 -0.124 17838 8247 1 10 . 1 1 127 127 ASN N N 396 115.840 115.840 114.055 1.785 17838 8248 1 10 . 1 1 127 127 ASN HA H 396 5.100 5.100 5.045 0.055 17838 8249 1 10 . 1 1 127 127 ASN CA C 396 51.110 51.110 53.811 -2.701 17838 8250 1 10 . 1 1 127 127 ASN CB C 396 40.740 40.740 38.466 2.274 17838 8251 1 10 . 1 1 127 127 ASN H H 396 7.150 7.150 7.806 -0.656 17838 8252 1 10 . 1 1 128 128 PRO HA H 397 4.750 4.750 4.517 0.233 17838 8253 1 10 . 1 1 128 128 PRO C C 397 177.390 177.390 177.281 0.109 17838 8254 1 10 . 1 1 128 128 PRO CA C 397 63.910 63.910 63.210 0.700 17838 8255 1 10 . 1 1 128 128 PRO CB C 397 32.250 32.250 32.210 0.040 17838 8256 1 10 . 1 1 129 129 ARG N N 398 111.560 111.560 119.170 -7.610 17838 8257 1 10 . 1 1 129 129 ARG HA H 398 3.530 3.530 4.801 -1.271 17838 8258 1 10 . 1 1 129 129 ARG C C 398 174.880 174.880 175.560 -0.680 17838 8259 1 10 . 1 1 129 129 ARG CA C 398 58.750 58.750 54.683 4.067 17838 8260 1 10 . 1 1 129 129 ARG CB C 398 29.040 29.040 30.112 -1.072 17838 8261 1 10 . 1 1 129 129 ARG H H 398 8.300 8.300 8.524 -0.224 17838 8262 1 10 . 1 1 130 130 ARG N N 399 120.840 120.840 121.259 -0.419 17838 8263 1 10 . 1 1 130 130 ARG HA H 399 4.800 4.800 4.581 0.219 17838 8264 1 10 . 1 1 130 130 ARG CA C 399 53.050 53.050 52.485 0.565 17838 8265 1 10 . 1 1 130 130 ARG CB C 399 31.420 31.420 29.405 2.014 17838 8266 1 10 . 1 1 130 130 ARG H H 399 7.980 7.980 8.177 -0.197 17838 8267 1 10 . 1 1 131 131 PRO HA H 400 4.810 4.810 4.568 0.242 17838 8268 1 10 . 1 1 131 131 PRO C C 400 176.610 176.610 175.376 1.234 17838 8269 1 10 . 1 1 131 131 PRO CA C 400 61.490 61.490 62.371 -0.881 17838 8270 1 10 . 1 1 131 131 PRO CB C 400 43.560 43.560 31.012 12.548 17838 8271 1 10 . 1 1 132 132 ILE N N 401 123.900 123.900 124.349 -0.449 17838 8272 1 10 . 1 1 132 132 ILE HA H 401 4.530 4.530 4.189 0.341 17838 8273 1 10 . 1 1 132 132 ILE C C 401 176.480 176.480 175.530 0.950 17838 8274 1 10 . 1 1 132 132 ILE CA C 401 58.360 58.360 59.700 -1.340 17838 8275 1 10 . 1 1 132 132 ILE CB C 401 39.250 39.250 36.613 2.637 17838 8276 1 10 . 1 1 132 132 ILE H H 401 9.000 9.000 8.084 0.916 17838 8277 1 10 . 1 1 133 133 ALA N N 402 137.830 137.830 132.035 5.795 17838 8278 1 10 . 1 1 133 133 ALA HA H 402 4.920 4.920 4.823 0.097 17838 8279 1 10 . 1 1 133 133 ALA C C 402 175.260 175.260 176.813 -1.553 17838 8280 1 10 . 1 1 133 133 ALA CA C 402 51.090 51.090 51.660 -0.570 17838 8281 1 10 . 1 1 133 133 ALA CB C 402 20.360 20.360 20.025 0.335 17838 8282 1 10 . 1 1 133 133 ALA H H 402 9.560 9.560 8.619 0.941 17838 8283 1 10 . 1 1 134 134 GLN N N 403 119.730 119.730 123.877 -4.147 17838 8284 1 10 . 1 1 134 134 GLN HA H 403 4.020 4.020 4.777 -0.757 17838 8285 1 10 . 1 1 134 134 GLN C C 403 173.700 173.700 174.255 -0.555 17838 8286 1 10 . 1 1 134 134 GLN CA C 403 55.050 55.050 54.237 0.813 17838 8287 1 10 . 1 1 134 134 GLN CB C 403 32.660 32.660 31.881 0.779 17838 8288 1 10 . 1 1 134 134 GLN H H 403 7.620 7.620 8.672 -1.052 17838 8289 1 10 . 1 1 135 135 TRP N N 404 123.420 123.420 120.616 2.804 17838 8290 1 10 . 1 1 135 135 TRP HA H 404 4.510 4.510 5.291 -0.781 17838 8291 1 10 . 1 1 135 135 TRP C C 404 176.280 176.280 175.096 1.184 17838 8292 1 10 . 1 1 135 135 TRP CA C 404 57.880 57.880 55.379 2.501 17838 8293 1 10 . 1 1 135 135 TRP CB C 404 30.110 30.110 32.038 -1.929 17838 8294 1 10 . 1 1 135 135 TRP H H 404 8.310 8.310 8.583 -0.273 17838 8295 1 10 . 1 1 136 136 HIS N N 405 117.210 117.210 121.246 -4.036 17838 8296 1 10 . 1 1 136 136 HIS HA H 405 4.810 4.810 4.405 0.405 17838 8297 1 10 . 1 1 136 136 HIS C C 405 173.490 173.490 173.624 -0.134 17838 8298 1 10 . 1 1 136 136 HIS CA C 405 55.160 55.160 55.555 -0.395 17838 8299 1 10 . 1 1 136 136 HIS CB C 405 33.410 33.410 33.915 -0.505 17838 8300 1 10 . 1 1 136 136 HIS H H 405 9.470 9.470 8.410 1.060 17838 8301 1 10 . 1 1 137 137 THR N N 406 122.780 122.780 115.905 6.875 17838 8302 1 10 . 1 1 137 137 THR HA H 406 4.840 4.840 4.583 0.257 17838 8303 1 10 . 1 1 137 137 THR C C 406 174.350 174.350 174.036 0.314 17838 8304 1 10 . 1 1 137 137 THR CA C 406 62.650 62.650 62.381 0.269 17838 8305 1 10 . 1 1 137 137 THR CB C 406 70.330 70.330 69.531 0.799 17838 8306 1 10 . 1 1 137 137 THR H H 406 9.430 9.430 7.885 1.545 17838 8307 1 10 . 1 1 138 138 LEU N N 407 124.890 124.890 121.979 2.911 17838 8308 1 10 . 1 1 138 138 LEU HA H 407 3.910 3.910 4.465 -0.555 17838 8309 1 10 . 1 1 138 138 LEU C C 407 175.480 175.480 176.947 -1.467 17838 8310 1 10 . 1 1 138 138 LEU CA C 407 55.950 55.950 53.786 2.164 17838 8311 1 10 . 1 1 138 138 LEU CB C 407 43.050 43.050 44.931 -1.881 17838 8312 1 10 . 1 1 138 138 LEU H H 407 8.730 8.730 7.804 0.926 17838 8313 1 10 . 1 1 139 139 GLN N N 408 119.630 119.630 120.871 -1.241 17838 8314 1 10 . 1 1 139 139 GLN HA H 408 4.680 4.680 4.617 0.063 17838 8315 1 10 . 1 1 139 139 GLN C C 408 175.100 175.100 175.254 -0.154 17838 8316 1 10 . 1 1 139 139 GLN CA C 408 53.830 53.830 54.477 -0.647 17838 8317 1 10 . 1 1 139 139 GLN CB C 408 32.150 32.150 30.047 2.103 17838 8318 1 10 . 1 1 139 139 GLN H H 408 8.470 8.470 8.600 -0.130 17838 8319 1 10 . 1 1 140 140 VAL N N 409 119.820 119.820 113.076 6.744 17838 8320 1 10 . 1 1 140 140 VAL HA H 409 3.850 3.850 4.572 -0.722 17838 8321 1 10 . 1 1 140 140 VAL C C 409 178.020 178.020 176.752 1.268 17838 8322 1 10 . 1 1 140 140 VAL CA C 409 63.130 63.130 59.320 3.810 17838 8323 1 10 . 1 1 140 140 VAL CB C 409 32.500 32.500 34.579 -2.079 17838 8324 1 10 . 1 1 140 140 VAL H H 409 8.410 8.410 8.086 0.324 17838 8325 1 10 . 1 1 141 141 GLU N N 410 127.170 127.170 120.685 6.485 17838 8326 1 10 . 1 1 141 141 GLU HA H 410 3.490 3.490 4.067 -0.577 17838 8327 1 10 . 1 1 141 141 GLU C C 410 176.850 176.850 178.946 -2.096 17838 8328 1 10 . 1 1 141 141 GLU CA C 410 60.610 60.610 59.698 0.912 17838 8329 1 10 . 1 1 141 141 GLU CB C 410 29.530 29.530 29.072 0.459 17838 8330 1 10 . 1 1 141 141 GLU H H 410 8.940 8.940 9.045 -0.105 17838 8331 1 10 . 1 1 142 142 GLU N N 411 115.780 115.780 118.225 -2.445 17838 8332 1 10 . 1 1 142 142 GLU HA H 411 3.950 3.950 4.086 -0.136 17838 8333 1 10 . 1 1 142 142 GLU C C 411 179.050 179.050 179.094 -0.044 17838 8334 1 10 . 1 1 142 142 GLU CA C 411 59.920 59.920 59.455 0.465 17838 8335 1 10 . 1 1 142 142 GLU CB C 411 28.940 28.940 29.069 -0.129 17838 8336 1 10 . 1 1 142 142 GLU H H 411 9.070 9.070 8.886 0.184 17838 8337 1 10 . 1 1 143 143 GLU N N 412 118.520 118.520 118.241 0.279 17838 8338 1 10 . 1 1 143 143 GLU HA H 412 4.050 4.050 4.211 -0.161 17838 8339 1 10 . 1 1 143 143 GLU C C 412 178.870 178.870 178.863 0.007 17838 8340 1 10 . 1 1 143 143 GLU CA C 412 58.590 58.590 58.684 -0.094 17838 8341 1 10 . 1 1 143 143 GLU CB C 412 29.190 29.190 29.684 -0.494 17838 8342 1 10 . 1 1 143 143 GLU H H 412 7.080 7.080 7.511 -0.431 17838 8343 1 10 . 1 1 144 144 VAL N N 413 121.110 121.110 120.519 0.591 17838 8344 1 10 . 1 1 144 144 VAL HA H 413 3.680 3.680 4.033 -0.353 17838 8345 1 10 . 1 1 144 144 VAL C C 413 177.970 177.970 176.940 1.030 17838 8346 1 10 . 1 1 144 144 VAL CA C 413 66.140 66.140 64.178 1.962 17838 8347 1 10 . 1 1 144 144 VAL CB C 413 31.620 31.620 32.185 -0.565 17838 8348 1 10 . 1 1 144 144 VAL H H 413 7.550 7.550 7.905 -0.355 17838 8349 1 10 . 1 1 145 145 ASP N N 414 120.040 120.040 121.029 -0.989 17838 8350 1 10 . 1 1 145 145 ASP HA H 414 4.020 4.020 4.343 -0.323 17838 8351 1 10 . 1 1 145 145 ASP C C 414 178.910 178.910 176.795 2.115 17838 8352 1 10 . 1 1 145 145 ASP CA C 414 57.620 57.620 57.599 0.021 17838 8353 1 10 . 1 1 145 145 ASP CB C 414 38.690 38.690 40.809 -2.119 17838 8354 1 10 . 1 1 145 145 ASP H H 414 8.660 8.660 8.202 0.458 17838 8355 1 10 . 1 1 146 146 ALA N N 415 121.010 121.010 116.745 4.265 17838 8356 1 10 . 1 1 146 146 ALA HA H 415 4.020 4.020 4.361 -0.341 17838 8357 1 10 . 1 1 146 146 ALA C C 415 179.930 179.930 176.887 3.043 17838 8358 1 10 . 1 1 146 146 ALA CA C 415 54.820 54.820 52.193 2.627 17838 8359 1 10 . 1 1 146 146 ALA CB C 415 17.910 17.910 18.824 -0.914 17838 8360 1 10 . 1 1 146 146 ALA H H 415 7.270 7.270 7.642 -0.372 17838 8361 1 10 . 1 1 147 147 MET N N 416 116.980 116.980 116.306 0.674 17838 8362 1 10 . 1 1 147 147 MET HA H 416 4.150 4.150 4.403 -0.253 17838 8363 1 10 . 1 1 147 147 MET C C 416 177.990 177.990 176.903 1.087 17838 8364 1 10 . 1 1 147 147 MET CA C 416 57.600 57.600 55.223 2.377 17838 8365 1 10 . 1 1 147 147 MET CB C 416 33.140 33.140 34.553 -1.413 17838 8366 1 10 . 1 1 147 147 MET H H 416 7.410 7.410 7.737 -0.327 17838 8367 1 10 . 1 1 148 148 LEU N N 417 118.550 118.550 117.390 1.160 17838 8368 1 10 . 1 1 148 148 LEU HA H 417 3.540 3.540 4.470 -0.930 17838 8369 1 10 . 1 1 148 148 LEU C C 417 176.810 176.810 176.161 0.649 17838 8370 1 10 . 1 1 148 148 LEU CA C 417 55.670 55.670 55.311 0.359 17838 8371 1 10 . 1 1 148 148 LEU CB C 417 42.650 42.650 41.322 1.328 17838 8372 1 10 . 1 1 148 148 LEU H H 417 7.560 7.560 7.609 -0.049 17838 8373 1 10 . 1 1 149 149 ALA N N 418 119.940 119.940 122.123 -2.183 17838 8374 1 10 . 1 1 149 149 ALA HA H 418 4.010 4.010 4.491 -0.481 17838 8375 1 10 . 1 1 149 149 ALA C C 418 177.010 177.010 176.272 0.738 17838 8376 1 10 . 1 1 149 149 ALA CA C 418 52.310 52.310 50.884 1.426 17838 8377 1 10 . 1 1 149 149 ALA CB C 418 18.700 18.700 20.034 -1.334 17838 8378 1 10 . 1 1 149 149 ALA H H 418 7.080 7.080 7.425 -0.345 17838 8379 1 10 . 1 1 150 150 VAL N N 419 118.810 118.810 121.871 -3.061 17838 8380 1 10 . 1 1 150 150 VAL HA H 419 3.840 3.840 3.651 0.189 17838 8381 1 10 . 1 1 150 150 VAL C C 419 175.760 175.760 175.002 0.758 17838 8382 1 10 . 1 1 150 150 VAL CA C 419 62.930 62.930 63.455 -0.525 17838 8383 1 10 . 1 1 150 150 VAL CB C 419 32.450 32.450 31.830 0.620 17838 8384 1 10 . 1 1 150 150 VAL H H 419 7.560 7.560 8.573 -1.013 17838 8385 1 10 . 1 1 151 151 LYS N N 420 126.620 126.620 123.394 3.226 17838 8386 1 10 . 1 1 151 151 LYS HA H 420 4.260 4.260 4.423 -0.163 17838 8387 1 10 . 1 1 151 151 LYS C C 420 175.210 175.210 174.846 0.364 17838 8388 1 10 . 1 1 151 151 LYS CA C 420 56.050 56.050 56.295 -0.245 17838 8389 1 10 . 1 1 151 151 LYS CB C 420 33.050 33.050 34.054 -1.004 17838 8390 1 10 . 1 1 151 151 LYS H H 420 8.290 8.290 8.141 0.149 17838 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 139 4.025 0.050 4.039 17838 2 1 1 "Average Difference" HA 158 0.426 0.038 0.426 17838 3 1 1 "Average Difference" C 132 1.217 0.108 1.216 17838 4 1 1 "Average Difference" CA 149 1.478 -0.094 1.480 17838 5 1 1 "Average Difference" CB 140 2.115 -0.468 2.070 17838 6 1 1 "Average Difference" HN 139 0.643 -0.098 0.638 17838 7 1 2 "Average Difference" N 139 4.012 0.227 4.020 17838 8 1 2 "Average Difference" HA 158 0.423 0.022 0.424 17838 9 1 2 "Average Difference" C 132 1.248 0.113 1.248 17838 10 1 2 "Average Difference" CA 149 1.419 -0.110 1.419 17838 11 1 2 "Average Difference" CB 140 2.005 -0.409 1.970 17838 12 1 2 "Average Difference" HN 139 0.617 -0.104 0.611 17838 13 1 3 "Average Difference" N 139 3.952 0.051 3.966 17838 14 1 3 "Average Difference" HA 158 0.418 0.041 0.417 17838 15 1 3 "Average Difference" C 132 1.266 0.154 1.261 17838 16 1 3 "Average Difference" CA 149 1.486 -0.126 1.486 17838 17 1 3 "Average Difference" CB 140 2.024 -0.471 1.976 17838 18 1 3 "Average Difference" HN 139 0.605 -0.102 0.599 17838 19 1 4 "Average Difference" N 139 4.039 0.181 4.050 17838 20 1 4 "Average Difference" HA 158 0.430 0.029 0.430 17838 21 1 4 "Average Difference" C 132 1.275 0.103 1.276 17838 22 1 4 "Average Difference" CA 149 1.472 -0.099 1.473 17838 23 1 4 "Average Difference" CB 140 2.037 -0.456 1.992 17838 24 1 4 "Average Difference" HN 139 0.631 -0.111 0.623 17838 25 1 5 "Average Difference" N 139 3.917 0.157 3.928 17838 26 1 5 "Average Difference" HA 158 0.426 0.036 0.426 17838 27 1 5 "Average Difference" C 132 1.266 0.077 1.268 17838 28 1 5 "Average Difference" CA 149 1.422 -0.114 1.422 17838 29 1 5 "Average Difference" CB 140 1.997 -0.380 1.968 17838 30 1 5 "Average Difference" HN 139 0.620 -0.132 0.608 17838 31 1 6 "Average Difference" N 139 4.017 0.045 4.031 17838 32 1 6 "Average Difference" HA 158 0.420 0.025 0.420 17838 33 1 6 "Average Difference" C 132 1.268 0.155 1.264 17838 34 1 6 "Average Difference" CA 149 1.423 -0.113 1.424 17838 35 1 6 "Average Difference" CB 140 1.966 -0.414 1.929 17838 36 1 6 "Average Difference" HN 139 0.612 -0.083 0.608 17838 37 1 7 "Average Difference" N 139 4.054 0.095 4.068 17838 38 1 7 "Average Difference" HA 158 0.426 0.036 0.426 17838 39 1 7 "Average Difference" C 132 1.218 0.177 1.210 17838 40 1 7 "Average Difference" CA 149 1.430 -0.016 1.435 17838 41 1 7 "Average Difference" CB 140 2.092 -0.413 2.058 17838 42 1 7 "Average Difference" HN 139 0.597 -0.084 0.594 17838 43 1 8 "Average Difference" N 139 4.265 -0.078 4.279 17838 44 1 8 "Average Difference" HA 158 0.407 0.033 0.407 17838 45 1 8 "Average Difference" C 132 1.266 0.134 1.264 17838 46 1 8 "Average Difference" CA 149 1.467 -0.127 1.466 17838 47 1 8 "Average Difference" CB 140 2.087 -0.480 2.038 17838 48 1 8 "Average Difference" HN 139 0.600 -0.118 0.590 17838 49 1 9 "Average Difference" N 139 4.056 0.279 4.061 17838 50 1 9 "Average Difference" HA 158 0.416 0.006 0.417 17838 51 1 9 "Average Difference" C 132 1.275 0.187 1.266 17838 52 1 9 "Average Difference" CA 149 1.485 -0.023 1.489 17838 53 1 9 "Average Difference" CB 140 2.013 -0.500 1.957 17838 54 1 9 "Average Difference" HN 139 0.633 -0.118 0.624 17838 55 1 10 "Average Difference" N 139 4.026 0.049 4.040 17838 56 1 10 "Average Difference" HA 158 0.430 0.031 0.431 17838 57 1 10 "Average Difference" C 132 1.214 0.111 1.214 17838 58 1 10 "Average Difference" CA 149 1.457 -0.142 1.455 17838 59 1 10 "Average Difference" CB 140 2.037 -0.358 2.013 17838 60 1 10 "Average Difference" HN 139 0.626 -0.112 0.618 17838 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 17838 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 3 3 LYS N N 272 123.800 123.800 121.144 2.656 17838 2 1 . 1 1 3 3 LYS HA H 272 4.190 4.190 3.997 0.193 17838 3 1 . 1 1 3 3 LYS C C 272 176.410 176.410 175.402 1.008 17838 4 1 . 1 1 3 3 LYS CA C 272 56.160 56.160 57.069 -0.909 17838 5 1 . 1 1 3 3 LYS CB C 272 31.950 31.950 31.487 0.463 17838 6 1 . 1 1 3 3 LYS H H 272 8.470 8.470 8.663 -0.193 17838 7 1 . 1 1 4 4 LEU N N 273 125.150 125.150 118.392 6.758 17838 8 1 . 1 1 4 4 LEU HA H 273 4.200 4.200 4.497 -0.297 17838 9 1 . 1 1 4 4 LEU C C 273 175.130 175.130 176.371 -1.241 17838 10 1 . 1 1 4 4 LEU CA C 273 55.940 55.940 54.935 1.005 17838 11 1 . 1 1 4 4 LEU CB C 273 43.330 43.330 42.789 0.542 17838 12 1 . 1 1 4 4 LEU H H 273 8.610 8.610 8.234 0.376 17838 13 1 . 1 1 5 5 GLY N N 274 102.380 102.380 105.143 -2.763 17838 14 1 . 1 1 5 5 GLY C C 274 171.630 171.630 172.208 -0.577 17838 15 1 . 1 1 5 5 GLY CA C 274 44.480 44.480 44.813 -0.333 17838 16 1 . 1 1 5 5 GLY H H 274 7.170 7.170 7.714 -0.544 17838 17 1 . 1 1 6 6 ASP N N 275 116.430 116.430 125.078 -8.648 17838 18 1 . 1 1 6 6 ASP HA H 275 5.760 5.760 5.375 0.385 17838 19 1 . 1 1 6 6 ASP C C 275 174.880 174.880 174.201 0.679 17838 20 1 . 1 1 6 6 ASP CA C 275 53.160 53.160 54.175 -1.015 17838 21 1 . 1 1 6 6 ASP CB C 275 45.720 45.720 43.453 2.267 17838 22 1 . 1 1 6 6 ASP H H 275 8.500 8.500 8.347 0.153 17838 23 1 . 1 1 7 7 ILE N N 276 118.640 118.640 123.475 -4.835 17838 24 1 . 1 1 7 7 ILE HA H 276 5.220 5.220 4.455 0.765 17838 25 1 . 1 1 7 7 ILE C C 276 173.900 173.900 174.096 -0.196 17838 26 1 . 1 1 7 7 ILE CA C 276 58.730 58.730 60.227 -1.497 17838 27 1 . 1 1 7 7 ILE CB C 276 43.680 43.680 43.077 0.603 17838 28 1 . 1 1 7 7 ILE H H 276 9.930 9.930 8.538 1.392 17838 29 1 . 1 1 8 8 CYS N N 277 128.550 128.550 126.758 1.792 17838 30 1 . 1 1 8 8 CYS HA H 277 4.560 4.560 4.985 -0.425 17838 31 1 . 1 1 8 8 CYS C C 277 173.900 173.900 173.697 0.203 17838 32 1 . 1 1 8 8 CYS CA C 277 56.340 56.340 56.598 -0.258 17838 33 1 . 1 1 8 8 CYS CB C 277 25.930 25.930 27.475 -1.545 17838 34 1 . 1 1 8 8 CYS H H 277 8.920 8.920 8.884 0.036 17838 35 1 . 1 1 9 9 PHE N N 278 121.320 121.320 124.996 -3.676 17838 36 1 . 1 1 9 9 PHE HA H 278 5.330 5.330 5.189 0.141 17838 37 1 . 1 1 9 9 PHE C C 278 173.180 173.180 174.459 -1.279 17838 38 1 . 1 1 9 9 PHE CA C 278 54.720 54.720 54.676 0.044 17838 39 1 . 1 1 9 9 PHE CB C 278 43.080 43.080 40.529 2.551 17838 40 1 . 1 1 9 9 PHE H H 278 7.650 7.650 7.541 0.109 17838 41 1 . 1 1 10 10 SER N N 279 116.160 116.160 117.463 -1.303 17838 42 1 . 1 1 10 10 SER HA H 279 5.870 5.870 5.028 0.842 17838 43 1 . 1 1 10 10 SER C C 279 172.820 172.820 173.863 -1.043 17838 44 1 . 1 1 10 10 SER CA C 279 54.990 54.990 57.839 -2.849 17838 45 1 . 1 1 10 10 SER CB C 279 66.260 66.260 63.885 2.375 17838 46 1 . 1 1 10 10 SER H H 279 9.920 9.920 9.230 0.690 17838 47 1 . 1 1 11 11 LEU N N 280 121.460 121.460 126.901 -5.441 17838 48 1 . 1 1 11 11 LEU HA H 280 5.100 5.100 4.579 0.521 17838 49 1 . 1 1 11 11 LEU C C 280 174.900 174.900 175.679 -0.779 17838 50 1 . 1 1 11 11 LEU CA C 280 53.020 53.020 54.447 -1.427 17838 51 1 . 1 1 11 11 LEU CB C 280 46.790 46.790 40.831 5.959 17838 52 1 . 1 1 11 11 LEU H H 280 8.270 8.270 8.079 0.191 17838 53 1 . 1 1 12 12 ARG N N 281 120.480 120.480 120.594 -0.114 17838 54 1 . 1 1 12 12 ARG HA H 281 4.740 4.740 4.649 0.091 17838 55 1 . 1 1 12 12 ARG C C 281 173.410 173.410 173.374 0.036 17838 56 1 . 1 1 12 12 ARG CA C 281 54.810 54.810 54.879 -0.069 17838 57 1 . 1 1 12 12 ARG CB C 281 34.560 34.560 33.257 1.303 17838 58 1 . 1 1 12 12 ARG H H 281 8.240 8.240 8.055 0.185 17838 59 1 . 1 1 13 13 TYR N N 282 127.490 127.490 121.152 6.338 17838 60 1 . 1 1 13 13 TYR HA H 282 5.490 5.490 4.783 0.707 17838 61 1 . 1 1 13 13 TYR C C 282 174.270 174.270 173.717 0.553 17838 62 1 . 1 1 13 13 TYR CA C 282 56.410 56.410 56.181 0.229 17838 63 1 . 1 1 13 13 TYR CB C 282 39.740 39.740 42.912 -3.172 17838 64 1 . 1 1 13 13 TYR H H 282 9.370 9.370 8.401 0.969 17838 65 1 . 1 1 14 14 VAL N N 283 127.660 127.660 124.350 3.310 17838 66 1 . 1 1 14 14 VAL HA H 283 4.240 4.240 4.373 -0.133 17838 67 1 . 1 1 14 14 VAL CA C 283 58.700 58.700 59.018 -0.318 17838 68 1 . 1 1 14 14 VAL CB C 283 32.450 32.450 32.188 0.262 17838 69 1 . 1 1 14 14 VAL H H 283 7.480 7.480 7.926 -0.446 17838 70 1 . 1 1 15 15 PRO HA H 284 3.780 3.780 4.319 -0.539 17838 71 1 . 1 1 15 15 PRO C C 284 178.150 178.150 177.264 0.886 17838 72 1 . 1 1 15 15 PRO CA C 284 65.540 65.540 64.601 0.939 17838 73 1 . 1 1 15 15 PRO CB C 284 32.360 32.360 31.609 0.751 17838 74 1 . 1 1 16 16 THR N N 285 109.040 109.040 111.747 -2.707 17838 75 1 . 1 1 16 16 THR HA H 285 3.850 3.850 4.229 -0.379 17838 76 1 . 1 1 16 16 THR C C 285 174.880 174.880 174.600 0.280 17838 77 1 . 1 1 16 16 THR CA C 285 64.490 64.490 63.514 0.976 17838 78 1 . 1 1 16 16 THR CB C 285 68.150 68.150 68.339 -0.189 17838 79 1 . 1 1 16 16 THR H H 285 7.690 7.690 7.831 -0.141 17838 80 1 . 1 1 17 17 ALA N N 286 119.760 119.760 122.307 -2.547 17838 81 1 . 1 1 17 17 ALA HA H 286 4.380 4.380 4.509 -0.129 17838 82 1 . 1 1 17 17 ALA C C 286 177.040 177.040 177.323 -0.283 17838 83 1 . 1 1 17 17 ALA CA C 286 51.450 51.450 52.047 -0.597 17838 84 1 . 1 1 17 17 ALA CB C 286 20.320 20.320 20.717 -0.397 17838 85 1 . 1 1 17 17 ALA H H 286 6.520 6.520 7.325 -0.805 17838 86 1 . 1 1 18 18 GLY N N 287 109.040 109.040 108.962 0.078 17838 87 1 . 1 1 18 18 GLY C C 287 173.990 173.990 173.044 0.946 17838 88 1 . 1 1 18 18 GLY CA C 287 47.150 47.150 45.261 1.889 17838 89 1 . 1 1 18 18 GLY H H 287 7.690 7.690 8.248 -0.557 17838 90 1 . 1 1 19 19 LYS N N 288 117.030 117.030 116.027 1.003 17838 91 1 . 1 1 19 19 LYS HA H 288 4.890 4.890 4.989 -0.099 17838 92 1 . 1 1 19 19 LYS C C 288 173.910 173.910 174.332 -0.422 17838 93 1 . 1 1 19 19 LYS CA C 288 55.100 55.100 54.435 0.665 17838 94 1 . 1 1 19 19 LYS CB C 288 35.520 35.520 36.014 -0.494 17838 95 1 . 1 1 19 19 LYS H H 288 6.630 6.630 7.210 -0.580 17838 96 1 . 1 1 20 20 LEU N N 289 131.970 131.970 122.016 9.954 17838 97 1 . 1 1 20 20 LEU HA H 289 5.480 5.480 4.597 0.883 17838 98 1 . 1 1 20 20 LEU C C 289 174.750 174.750 176.560 -1.810 17838 99 1 . 1 1 20 20 LEU CA C 289 53.620 53.620 55.382 -1.762 17838 100 1 . 1 1 20 20 LEU CB C 289 45.840 45.840 43.723 2.118 17838 101 1 . 1 1 20 20 LEU H H 289 9.260 9.260 9.065 0.196 17838 102 1 . 1 1 21 21 THR N N 290 124.180 124.180 118.920 5.260 17838 103 1 . 1 1 21 21 THR HA H 290 5.260 5.260 4.880 0.380 17838 104 1 . 1 1 21 21 THR C C 290 173.650 173.650 173.723 -0.073 17838 105 1 . 1 1 21 21 THR CA C 290 62.070 62.070 61.971 0.099 17838 106 1 . 1 1 21 21 THR CB C 290 70.920 70.920 69.186 1.734 17838 107 1 . 1 1 21 21 THR H H 290 9.770 9.770 8.261 1.509 17838 108 1 . 1 1 22 22 VAL N N 291 129.970 129.970 127.997 1.972 17838 109 1 . 1 1 22 22 VAL HA H 291 5.010 5.010 4.318 0.691 17838 110 1 . 1 1 22 22 VAL C C 291 174.510 174.510 175.407 -0.897 17838 111 1 . 1 1 22 22 VAL CA C 291 59.970 59.970 62.279 -2.309 17838 112 1 . 1 1 22 22 VAL CB C 291 34.900 34.900 32.234 2.666 17838 113 1 . 1 1 22 22 VAL H H 291 9.510 9.510 8.689 0.821 17838 114 1 . 1 1 23 23 VAL N N 292 125.670 125.670 126.531 -0.861 17838 115 1 . 1 1 23 23 VAL HA H 292 4.830 4.830 5.132 -0.302 17838 116 1 . 1 1 23 23 VAL C C 292 177.610 177.610 175.620 1.990 17838 117 1 . 1 1 23 23 VAL CA C 292 60.370 60.370 60.313 0.057 17838 118 1 . 1 1 23 23 VAL CB C 292 32.230 32.230 32.467 -0.237 17838 119 1 . 1 1 23 23 VAL H H 292 8.650 8.650 8.427 0.223 17838 120 1 . 1 1 24 24 ILE N N 293 125.630 125.630 128.443 -2.813 17838 121 1 . 1 1 24 24 ILE HA H 293 4.010 4.010 4.359 -0.349 17838 122 1 . 1 1 24 24 ILE C C 293 175.140 175.140 175.959 -0.819 17838 123 1 . 1 1 24 24 ILE CA C 293 58.560 58.560 61.565 -3.005 17838 124 1 . 1 1 24 24 ILE CB C 293 34.580 34.580 37.732 -3.152 17838 125 1 . 1 1 24 24 ILE H H 293 9.100 9.100 8.649 0.451 17838 126 1 . 1 1 25 25 LEU N N 294 130.570 130.570 129.326 1.244 17838 127 1 . 1 1 25 25 LEU HA H 294 4.110 4.110 4.370 -0.260 17838 128 1 . 1 1 25 25 LEU C C 294 175.250 175.250 176.812 -1.562 17838 129 1 . 1 1 25 25 LEU CA C 294 58.210 58.210 57.051 1.158 17838 130 1 . 1 1 25 25 LEU CB C 294 41.470 41.470 42.570 -1.100 17838 131 1 . 1 1 25 25 LEU H H 294 8.260 8.260 8.410 -0.150 17838 132 1 . 1 1 26 26 GLU N N 295 111.970 111.970 112.111 -0.141 17838 133 1 . 1 1 26 26 GLU HA H 295 5.050 5.050 5.238 -0.188 17838 134 1 . 1 1 26 26 GLU C C 295 172.250 172.250 174.542 -2.292 17838 135 1 . 1 1 26 26 GLU CA C 295 54.970 54.970 54.834 0.136 17838 136 1 . 1 1 26 26 GLU CB C 295 32.990 32.990 33.325 -0.335 17838 137 1 . 1 1 26 26 GLU H H 295 7.490 7.490 7.729 -0.239 17838 138 1 . 1 1 27 27 ALA N N 296 121.530 121.530 120.382 1.148 17838 139 1 . 1 1 27 27 ALA HA H 296 5.550 5.550 4.693 0.857 17838 140 1 . 1 1 27 27 ALA C C 296 174.560 174.560 175.462 -0.902 17838 141 1 . 1 1 27 27 ALA CA C 296 50.780 50.780 51.446 -0.666 17838 142 1 . 1 1 27 27 ALA CB C 296 22.690 22.690 22.570 0.120 17838 143 1 . 1 1 27 27 ALA H H 296 9.170 9.170 8.355 0.815 17838 144 1 . 1 1 28 28 LYS N N 297 116.690 116.690 119.995 -3.305 17838 145 1 . 1 1 28 28 LYS HA H 297 5.380 5.380 4.753 0.627 17838 146 1 . 1 1 28 28 LYS C C 297 174.200 174.200 175.504 -1.304 17838 147 1 . 1 1 28 28 LYS CA C 297 54.970 54.970 55.616 -0.646 17838 148 1 . 1 1 28 28 LYS CB C 297 37.660 37.660 32.046 5.614 17838 149 1 . 1 1 28 28 LYS H H 297 9.190 9.190 8.594 0.596 17838 150 1 . 1 1 29 29 ASN N N 298 115.540 115.540 116.344 -0.804 17838 151 1 . 1 1 29 29 ASN HA H 298 4.150 4.150 4.815 -0.665 17838 152 1 . 1 1 29 29 ASN C C 298 173.850 173.850 175.215 -1.365 17838 153 1 . 1 1 29 29 ASN CA C 298 53.600 53.600 53.392 0.208 17838 154 1 . 1 1 29 29 ASN CB C 298 37.000 37.000 40.178 -3.178 17838 155 1 . 1 1 29 29 ASN H H 298 8.640 8.640 8.184 0.456 17838 156 1 . 1 1 30 30 LEU N N 299 114.360 114.360 123.448 -9.088 17838 157 1 . 1 1 30 30 LEU HA H 299 4.500 4.500 4.534 -0.034 17838 158 1 . 1 1 30 30 LEU C C 299 174.750 174.750 175.723 -0.973 17838 159 1 . 1 1 30 30 LEU CA C 299 55.010 55.010 53.922 1.088 17838 160 1 . 1 1 30 30 LEU CB C 299 42.820 42.820 40.203 2.617 17838 161 1 . 1 1 30 30 LEU H H 299 8.210 8.210 7.833 0.377 17838 162 1 . 1 1 31 31 LYS N N 300 119.660 119.660 123.332 -3.672 17838 163 1 . 1 1 31 31 LYS HA H 300 3.900 3.900 4.261 -0.361 17838 164 1 . 1 1 31 31 LYS C C 300 175.130 175.130 175.858 -0.728 17838 165 1 . 1 1 31 31 LYS CA C 300 56.630 56.630 55.716 0.913 17838 166 1 . 1 1 31 31 LYS CB C 300 35.060 35.060 33.772 1.288 17838 167 1 . 1 1 31 31 LYS H H 300 6.830 6.830 7.933 -1.103 17838 168 1 . 1 1 32 32 LYS N N 301 124.550 124.550 122.964 1.586 17838 169 1 . 1 1 32 32 LYS HA H 301 3.760 3.760 4.199 -0.439 17838 170 1 . 1 1 32 32 LYS C C 301 175.590 175.590 176.908 -1.318 17838 171 1 . 1 1 32 32 LYS CA C 301 56.900 56.900 57.598 -0.698 17838 172 1 . 1 1 32 32 LYS CB C 301 32.990 32.990 31.231 1.759 17838 173 1 . 1 1 32 32 LYS H H 301 8.060 8.060 8.586 -0.526 17838 174 1 . 1 1 33 33 MET N N 302 122.790 122.790 119.856 2.934 17838 175 1 . 1 1 33 33 MET HA H 302 4.720 4.720 4.537 0.183 17838 176 1 . 1 1 33 33 MET C C 302 176.510 176.510 176.215 0.295 17838 177 1 . 1 1 33 33 MET CA C 302 53.860 53.860 55.723 -1.863 17838 178 1 . 1 1 33 33 MET CB C 302 32.590 32.590 33.170 -0.580 17838 179 1 . 1 1 33 33 MET H H 302 7.970 7.970 8.165 -0.195 17838 180 1 . 1 1 34 34 ASP N N 303 124.630 124.630 121.873 2.757 17838 181 1 . 1 1 34 34 ASP HA H 303 5.030 5.030 4.690 0.340 17838 182 1 . 1 1 34 34 ASP CA C 303 52.810 52.810 53.723 -0.913 17838 183 1 . 1 1 34 34 ASP CB C 303 41.950 41.950 42.598 -0.648 17838 184 1 . 1 1 34 34 ASP H H 303 8.080 8.080 7.911 0.169 17838 185 1 . 1 1 35 35 VAL N N 304 125.910 125.910 124.996 0.914 17838 186 1 . 1 1 35 35 VAL HA H 304 3.690 3.690 3.936 -0.246 17838 187 1 . 1 1 35 35 VAL C C 304 176.820 176.820 176.580 0.240 17838 188 1 . 1 1 35 35 VAL CA C 304 64.750 64.750 63.238 1.512 17838 189 1 . 1 1 35 35 VAL CB C 304 31.120 31.120 30.829 0.291 17838 190 1 . 1 1 35 35 VAL H H 304 8.760 8.760 8.573 0.187 17838 191 1 . 1 1 36 36 GLY N N 305 115.560 115.560 113.949 1.611 17838 192 1 . 1 1 36 36 GLY C C 305 174.160 174.160 174.171 -0.011 17838 193 1 . 1 1 36 36 GLY CA C 305 45.740 45.740 44.944 0.796 17838 194 1 . 1 1 36 36 GLY H H 305 8.830 8.830 8.242 0.588 17838 195 1 . 1 1 37 37 GLY N N 306 109.040 109.040 107.937 1.103 17838 196 1 . 1 1 37 37 GLY C C 306 173.030 173.030 172.802 0.228 17838 197 1 . 1 1 37 37 GLY CA C 306 45.040 45.040 44.543 0.497 17838 198 1 . 1 1 37 37 GLY H H 306 7.690 7.690 7.947 -0.257 17838 199 1 . 1 1 38 38 LEU N N 307 124.610 124.610 119.347 5.263 17838 200 1 . 1 1 38 38 LEU HA H 307 4.580 4.580 4.699 -0.119 17838 201 1 . 1 1 38 38 LEU CA C 307 53.470 53.470 53.802 -0.332 17838 202 1 . 1 1 38 38 LEU CB C 307 42.060 42.060 45.331 -3.271 17838 203 1 . 1 1 38 38 LEU H H 307 8.410 8.410 8.404 0.006 17838 204 1 . 1 1 39 39 SER N N 308 115.270 115.270 113.740 1.530 17838 205 1 . 1 1 39 39 SER HA H 308 4.490 4.490 4.603 -0.113 17838 206 1 . 1 1 39 39 SER CA C 308 57.250 57.250 57.847 -0.597 17838 207 1 . 1 1 39 39 SER CB C 308 68.290 68.290 65.518 2.772 17838 208 1 . 1 1 39 39 SER H H 308 7.080 7.080 8.345 -1.265 17838 209 1 . 1 1 40 40 ASP N N 309 121.280 121.280 121.656 -0.376 17838 210 1 . 1 1 40 40 ASP HA H 309 5.880 5.880 5.297 0.583 17838 211 1 . 1 1 40 40 ASP CA C 309 52.000 52.000 51.762 0.238 17838 212 1 . 1 1 40 40 ASP CB C 309 42.350 42.350 42.617 -0.267 17838 213 1 . 1 1 40 40 ASP H H 309 9.270 9.270 9.098 0.173 17838 214 1 . 1 1 41 41 PRO HA H 310 5.680 5.680 4.570 1.110 17838 215 1 . 1 1 41 41 PRO C C 310 179.050 179.050 175.763 3.287 17838 216 1 . 1 1 41 41 PRO CA C 310 62.970 62.970 62.566 0.404 17838 217 1 . 1 1 41 41 PRO CB C 310 32.940 32.940 32.505 0.435 17838 218 1 . 1 1 42 42 TYR N N 311 122.860 122.860 123.510 -0.650 17838 219 1 . 1 1 42 42 TYR HA H 311 4.740 4.740 4.678 0.062 17838 220 1 . 1 1 42 42 TYR C C 311 170.780 170.780 173.194 -2.414 17838 221 1 . 1 1 42 42 TYR CA C 311 55.640 55.640 57.883 -2.243 17838 222 1 . 1 1 42 42 TYR CB C 311 41.950 41.950 41.392 0.558 17838 223 1 . 1 1 42 42 TYR H H 311 9.130 9.130 8.294 0.836 17838 224 1 . 1 1 43 43 VAL N N 312 120.460 120.460 122.224 -1.764 17838 225 1 . 1 1 43 43 VAL HA H 312 4.840 4.840 4.970 -0.130 17838 226 1 . 1 1 43 43 VAL C C 312 174.430 174.430 173.504 0.926 17838 227 1 . 1 1 43 43 VAL CA C 312 60.110 60.110 59.054 1.056 17838 228 1 . 1 1 43 43 VAL CB C 312 33.430 33.430 35.977 -2.547 17838 229 1 . 1 1 43 43 VAL H H 312 8.570 8.570 7.895 0.675 17838 230 1 . 1 1 44 44 LYS N N 313 125.500 125.500 117.602 7.898 17838 231 1 . 1 1 44 44 LYS HA H 313 4.840 4.840 4.758 0.082 17838 232 1 . 1 1 44 44 LYS C C 313 174.300 174.300 174.456 -0.157 17838 233 1 . 1 1 44 44 LYS CA C 313 54.680 54.680 54.478 0.202 17838 234 1 . 1 1 44 44 LYS CB C 313 36.140 36.140 36.078 0.062 17838 235 1 . 1 1 44 44 LYS H H 313 9.050 9.050 8.565 0.485 17838 236 1 . 1 1 45 45 ILE N N 314 123.760 123.760 121.407 2.353 17838 237 1 . 1 1 45 45 ILE HA H 314 4.780 4.780 4.423 0.357 17838 238 1 . 1 1 45 45 ILE C C 314 174.700 174.700 173.775 0.925 17838 239 1 . 1 1 45 45 ILE CA C 314 60.050 60.050 59.613 0.437 17838 240 1 . 1 1 45 45 ILE CB C 314 41.800 41.800 41.361 0.439 17838 241 1 . 1 1 45 45 ILE H H 314 8.770 8.770 8.479 0.291 17838 242 1 . 1 1 46 46 HIS N N 315 122.820 122.820 124.367 -1.547 17838 243 1 . 1 1 46 46 HIS HA H 315 5.340 5.340 4.970 0.370 17838 244 1 . 1 1 46 46 HIS C C 315 173.540 173.540 174.231 -0.691 17838 245 1 . 1 1 46 46 HIS CA C 315 54.590 54.590 54.599 -0.009 17838 246 1 . 1 1 46 46 HIS CB C 315 34.280 34.280 32.756 1.524 17838 247 1 . 1 1 46 46 HIS H H 315 9.070 9.070 8.880 0.190 17838 248 1 . 1 1 47 47 LEU N N 316 124.780 124.780 120.284 4.496 17838 249 1 . 1 1 47 47 LEU HA H 316 4.760 4.760 5.031 -0.271 17838 250 1 . 1 1 47 47 LEU C C 316 174.720 174.720 175.309 -0.589 17838 251 1 . 1 1 47 47 LEU CA C 316 53.480 53.480 53.757 -0.277 17838 252 1 . 1 1 47 47 LEU CB C 316 44.010 44.010 43.255 0.755 17838 253 1 . 1 1 47 47 LEU H H 316 8.350 8.350 8.275 0.075 17838 254 1 . 1 1 48 48 MET N N 317 125.550 125.550 121.307 4.243 17838 255 1 . 1 1 48 48 MET HA H 317 5.360 5.360 5.006 0.354 17838 256 1 . 1 1 48 48 MET C C 317 174.720 174.720 175.298 -0.578 17838 257 1 . 1 1 48 48 MET CA C 317 53.490 53.490 53.880 -0.390 17838 258 1 . 1 1 48 48 MET CB C 317 35.800 35.800 33.137 2.663 17838 259 1 . 1 1 48 48 MET H H 317 9.240 9.240 8.985 0.255 17838 260 1 . 1 1 49 49 GLN N N 318 118.130 118.130 123.849 -5.719 17838 261 1 . 1 1 49 49 GLN HA H 318 4.350 4.350 4.513 -0.163 17838 262 1 . 1 1 49 49 GLN C C 318 175.850 175.850 175.930 -0.080 17838 263 1 . 1 1 49 49 GLN CA C 318 56.330 56.330 55.621 0.709 17838 264 1 . 1 1 49 49 GLN CB C 318 32.240 32.240 30.204 2.036 17838 265 1 . 1 1 49 49 GLN H H 318 8.510 8.510 8.516 -0.006 17838 266 1 . 1 1 50 50 ASN N N 319 127.590 127.590 125.267 2.323 17838 267 1 . 1 1 50 50 ASN HA H 319 4.250 4.250 4.371 -0.121 17838 268 1 . 1 1 50 50 ASN C C 319 174.650 174.650 175.062 -0.412 17838 269 1 . 1 1 50 50 ASN CA C 319 54.180 54.180 53.681 0.499 17838 270 1 . 1 1 50 50 ASN CB C 319 37.640 37.640 38.093 -0.453 17838 271 1 . 1 1 50 50 ASN H H 319 9.430 9.430 9.337 0.093 17838 272 1 . 1 1 51 51 GLY N N 320 104.030 104.030 102.851 1.179 17838 273 1 . 1 1 51 51 GLY C C 320 173.160 173.160 173.677 -0.517 17838 274 1 . 1 1 51 51 GLY CA C 320 45.480 45.480 45.474 0.006 17838 275 1 . 1 1 51 51 GLY H H 320 8.950 8.950 8.251 0.699 17838 276 1 . 1 1 52 52 LYS N N 321 120.220 120.220 120.737 -0.517 17838 277 1 . 1 1 52 52 LYS HA H 321 4.400 4.400 4.643 -0.243 17838 278 1 . 1 1 52 52 LYS C C 321 175.370 175.370 175.597 -0.227 17838 279 1 . 1 1 52 52 LYS CA C 321 54.340 54.340 54.276 0.064 17838 280 1 . 1 1 52 52 LYS CB C 321 34.230 34.230 34.999 -0.769 17838 281 1 . 1 1 52 52 LYS H H 321 7.650 7.650 7.615 0.035 17838 282 1 . 1 1 53 53 ARG N N 322 123.540 123.540 124.866 -1.326 17838 283 1 . 1 1 53 53 ARG HA H 322 4.410 4.410 4.358 0.052 17838 284 1 . 1 1 53 53 ARG C C 322 175.650 175.650 175.727 -0.077 17838 285 1 . 1 1 53 53 ARG CA C 322 56.620 56.620 57.080 -0.459 17838 286 1 . 1 1 53 53 ARG CB C 322 29.960 29.960 29.531 0.429 17838 287 1 . 1 1 53 53 ARG H H 322 8.700 8.700 8.761 -0.061 17838 288 1 . 1 1 54 54 LEU N N 323 127.220 127.220 126.298 0.922 17838 289 1 . 1 1 54 54 LEU HA H 323 4.350 4.350 4.372 -0.022 17838 290 1 . 1 1 54 54 LEU C C 323 177.380 177.380 176.703 0.677 17838 291 1 . 1 1 54 54 LEU CA C 323 56.230 56.230 55.822 0.408 17838 292 1 . 1 1 54 54 LEU CB C 323 42.950 42.950 43.374 -0.424 17838 293 1 . 1 1 54 54 LEU H H 323 9.270 9.270 8.599 0.671 17838 294 1 . 1 1 55 55 LYS N N 324 115.210 115.210 117.008 -1.798 17838 295 1 . 1 1 55 55 LYS HA H 324 4.670 4.670 4.635 0.035 17838 296 1 . 1 1 55 55 LYS C C 324 174.480 174.480 174.361 0.119 17838 297 1 . 1 1 55 55 LYS CA C 324 54.460 54.460 54.879 -0.419 17838 298 1 . 1 1 55 55 LYS CB C 324 37.580 37.580 35.958 1.622 17838 299 1 . 1 1 55 55 LYS H H 324 7.410 7.410 7.648 -0.238 17838 300 1 . 1 1 56 56 LYS N N 325 122.420 122.420 120.122 2.298 17838 301 1 . 1 1 56 56 LYS HA H 325 5.320 5.320 4.790 0.530 17838 302 1 . 1 1 56 56 LYS C C 325 174.700 174.700 175.786 -1.086 17838 303 1 . 1 1 56 56 LYS CA C 325 54.970 54.970 55.113 -0.144 17838 304 1 . 1 1 56 56 LYS CB C 325 35.730 35.730 34.659 1.071 17838 305 1 . 1 1 56 56 LYS H H 325 8.470 8.470 8.357 0.113 17838 306 1 . 1 1 57 57 LYS N N 326 122.740 122.740 123.381 -0.641 17838 307 1 . 1 1 57 57 LYS HA H 326 4.630 4.630 4.715 -0.085 17838 308 1 . 1 1 57 57 LYS C C 326 174.330 174.330 174.573 -0.243 17838 309 1 . 1 1 57 57 LYS CA C 326 53.560 53.560 55.261 -1.701 17838 310 1 . 1 1 57 57 LYS CB C 326 37.960 37.960 36.467 1.493 17838 311 1 . 1 1 57 57 LYS H H 326 8.850 8.850 8.811 0.039 17838 312 1 . 1 1 58 58 LYS N N 327 118.070 118.070 121.458 -3.388 17838 313 1 . 1 1 58 58 LYS HA H 327 5.380 5.380 4.658 0.722 17838 314 1 . 1 1 58 58 LYS C C 327 174.810 174.810 175.352 -0.542 17838 315 1 . 1 1 58 58 LYS CA C 327 55.120 55.120 55.288 -0.168 17838 316 1 . 1 1 58 58 LYS CB C 327 36.900 36.900 34.821 2.079 17838 317 1 . 1 1 58 58 LYS H H 327 8.310 8.310 8.430 -0.121 17838 318 1 . 1 1 59 59 THR N N 328 110.590 110.590 115.032 -4.442 17838 319 1 . 1 1 59 59 THR HA H 328 4.850 4.850 4.702 0.148 17838 320 1 . 1 1 59 59 THR C C 328 175.550 175.550 173.508 2.042 17838 321 1 . 1 1 59 59 THR CA C 328 60.950 60.950 60.323 0.628 17838 322 1 . 1 1 59 59 THR CB C 328 73.290 73.290 71.026 2.264 17838 323 1 . 1 1 59 59 THR H H 328 8.650 8.650 7.993 0.657 17838 324 1 . 1 1 60 60 THR N N 329 109.520 109.520 121.911 -12.391 17838 325 1 . 1 1 60 60 THR HA H 329 4.120 4.120 4.537 -0.417 17838 326 1 . 1 1 60 60 THR C C 329 173.570 173.570 173.209 0.361 17838 327 1 . 1 1 60 60 THR CA C 329 62.710 62.710 62.018 0.692 17838 328 1 . 1 1 60 60 THR CB C 329 70.920 70.920 69.381 1.539 17838 329 1 . 1 1 60 60 THR H H 329 9.420 9.420 8.706 0.714 17838 330 1 . 1 1 61 61 ILE N N 330 119.070 119.070 123.607 -4.537 17838 331 1 . 1 1 61 61 ILE HA H 330 4.230 4.230 3.923 0.306 17838 332 1 . 1 1 61 61 ILE C C 330 177.050 177.050 175.231 1.819 17838 333 1 . 1 1 61 61 ILE CA C 330 61.060 61.060 59.660 1.400 17838 334 1 . 1 1 61 61 ILE CB C 330 40.200 40.200 40.166 0.034 17838 335 1 . 1 1 61 61 ILE H H 330 8.060 8.060 8.143 -0.083 17838 336 1 . 1 1 62 62 LYS N N 331 127.440 127.440 124.781 2.659 17838 337 1 . 1 1 62 62 LYS HA H 331 4.620 4.620 4.448 0.172 17838 338 1 . 1 1 62 62 LYS C C 331 174.080 174.080 176.387 -2.307 17838 339 1 . 1 1 62 62 LYS CA C 331 52.170 52.170 55.520 -3.350 17838 340 1 . 1 1 62 62 LYS CB C 331 31.610 31.610 32.927 -1.317 17838 341 1 . 1 1 62 62 LYS H H 331 7.970 7.970 8.718 -0.748 17838 342 1 . 1 1 63 63 LYS N N 332 118.220 118.220 121.848 -3.628 17838 343 1 . 1 1 63 63 LYS HA H 332 4.630 4.630 4.258 0.372 17838 344 1 . 1 1 63 63 LYS C C 332 177.270 177.270 177.098 0.172 17838 345 1 . 1 1 63 63 LYS CA C 332 55.310 55.310 56.452 -1.142 17838 346 1 . 1 1 63 63 LYS CB C 332 33.550 33.550 33.034 0.516 17838 347 1 . 1 1 63 63 LYS H H 332 8.000 8.000 8.470 -0.471 17838 348 1 . 1 1 64 64 ASN N N 333 122.920 122.920 118.499 4.421 17838 349 1 . 1 1 64 64 ASN HA H 333 4.250 4.250 4.473 -0.223 17838 350 1 . 1 1 64 64 ASN C C 333 173.470 173.470 173.810 -0.340 17838 351 1 . 1 1 64 64 ASN CA C 333 54.030 54.030 54.452 -0.422 17838 352 1 . 1 1 64 64 ASN CB C 333 37.910 37.910 37.481 0.428 17838 353 1 . 1 1 64 64 ASN H H 333 9.710 9.710 9.250 0.460 17838 354 1 . 1 1 65 65 THR N N 334 112.090 112.090 110.404 1.686 17838 355 1 . 1 1 65 65 THR HA H 334 4.600 4.600 4.645 -0.045 17838 356 1 . 1 1 65 65 THR C C 334 170.000 170.000 173.645 -3.646 17838 357 1 . 1 1 65 65 THR CA C 334 60.580 60.580 60.443 0.137 17838 358 1 . 1 1 65 65 THR CB C 334 68.600 68.600 71.680 -3.080 17838 359 1 . 1 1 65 65 THR H H 334 8.630 8.630 7.772 0.858 17838 360 1 . 1 1 66 66 LEU N N 335 121.880 121.880 121.444 0.436 17838 361 1 . 1 1 66 66 LEU HA H 335 4.500 4.500 4.728 -0.228 17838 362 1 . 1 1 66 66 LEU C C 335 173.970 173.970 176.198 -2.228 17838 363 1 . 1 1 66 66 LEU CA C 335 52.790 52.790 55.670 -2.879 17838 364 1 . 1 1 66 66 LEU CB C 335 40.560 40.560 42.838 -2.278 17838 365 1 . 1 1 66 66 LEU H H 335 8.530 8.530 8.460 0.070 17838 366 1 . 1 1 67 67 ASN N N 336 115.420 115.420 117.184 -1.764 17838 367 1 . 1 1 67 67 ASN HA H 336 5.500 5.500 5.466 0.034 17838 368 1 . 1 1 67 67 ASN CA C 336 51.190 51.190 50.237 0.953 17838 369 1 . 1 1 67 67 ASN CB C 336 41.620 41.620 39.727 1.893 17838 370 1 . 1 1 67 67 ASN H H 336 8.540 8.540 7.977 0.563 17838 371 1 . 1 1 68 68 PRO HA H 337 4.170 4.170 4.403 -0.233 17838 372 1 . 1 1 68 68 PRO C C 337 173.480 173.480 175.314 -1.834 17838 373 1 . 1 1 68 68 PRO CA C 337 62.710 62.710 63.443 -0.733 17838 374 1 . 1 1 68 68 PRO CB C 337 32.610 32.610 30.868 1.742 17838 375 1 . 1 1 69 69 TYR N N 338 120.550 120.550 126.137 -5.587 17838 376 1 . 1 1 69 69 TYR HA H 338 4.470 4.470 4.875 -0.405 17838 377 1 . 1 1 69 69 TYR C C 338 174.390 174.390 173.578 0.812 17838 378 1 . 1 1 69 69 TYR CA C 338 57.740 57.740 56.780 0.960 17838 379 1 . 1 1 69 69 TYR CB C 338 40.530 40.530 41.703 -1.173 17838 380 1 . 1 1 69 69 TYR H H 338 8.060 8.060 8.091 -0.031 17838 381 1 . 1 1 70 70 TYR N N 339 122.140 122.140 127.303 -5.163 17838 382 1 . 1 1 70 70 TYR HA H 339 4.400 4.400 4.043 0.357 17838 383 1 . 1 1 70 70 TYR C C 339 175.190 175.190 173.919 1.271 17838 384 1 . 1 1 70 70 TYR CA C 339 59.040 59.040 58.597 0.443 17838 385 1 . 1 1 70 70 TYR CB C 339 40.290 40.290 41.702 -1.412 17838 386 1 . 1 1 70 70 TYR H H 339 8.080 8.080 7.845 0.235 17838 387 1 . 1 1 71 71 ASN N N 340 120.260 120.260 119.435 0.825 17838 388 1 . 1 1 71 71 ASN HA H 340 4.080 4.080 4.627 -0.547 17838 389 1 . 1 1 71 71 ASN C C 340 173.510 173.510 174.007 -0.497 17838 390 1 . 1 1 71 71 ASN CA C 340 53.960 53.960 54.036 -0.076 17838 391 1 . 1 1 71 71 ASN CB C 340 37.450 37.450 37.622 -0.172 17838 392 1 . 1 1 71 71 ASN H H 340 8.130 8.130 7.995 0.135 17838 393 1 . 1 1 72 72 GLU N N 341 117.370 117.370 121.842 -4.472 17838 394 1 . 1 1 72 72 GLU HA H 341 4.300 4.300 4.584 -0.284 17838 395 1 . 1 1 72 72 GLU C C 341 173.000 173.000 174.817 -1.817 17838 396 1 . 1 1 72 72 GLU CA C 341 55.470 55.470 55.006 0.464 17838 397 1 . 1 1 72 72 GLU CB C 341 33.320 33.320 33.660 -0.340 17838 398 1 . 1 1 72 72 GLU H H 341 7.530 7.530 7.983 -0.453 17838 399 1 . 1 1 73 73 SER N N 342 117.330 117.330 116.623 0.707 17838 400 1 . 1 1 73 73 SER HA H 342 4.740 4.740 4.975 -0.235 17838 401 1 . 1 1 73 73 SER C C 342 172.930 172.930 173.692 -0.762 17838 402 1 . 1 1 73 73 SER CA C 342 56.810 56.810 57.342 -0.532 17838 403 1 . 1 1 73 73 SER CB C 342 64.720 64.720 63.956 0.764 17838 404 1 . 1 1 73 73 SER H H 342 8.010 8.010 8.462 -0.452 17838 405 1 . 1 1 74 74 PHE N N 343 123.520 123.520 126.081 -2.561 17838 406 1 . 1 1 74 74 PHE HA H 343 4.480 4.480 4.699 -0.219 17838 407 1 . 1 1 74 74 PHE C C 343 173.480 173.480 175.157 -1.677 17838 408 1 . 1 1 74 74 PHE CA C 343 57.280 57.280 57.169 0.111 17838 409 1 . 1 1 74 74 PHE CB C 343 43.130 43.130 39.442 3.688 17838 410 1 . 1 1 74 74 PHE H H 343 8.780 8.780 9.036 -0.256 17838 411 1 . 1 1 75 75 SER N N 344 116.700 116.700 120.223 -3.523 17838 412 1 . 1 1 75 75 SER HA H 344 5.480 5.480 5.459 0.021 17838 413 1 . 1 1 75 75 SER C C 344 172.170 172.170 173.584 -1.414 17838 414 1 . 1 1 75 75 SER CA C 344 57.210 57.210 57.730 -0.520 17838 415 1 . 1 1 75 75 SER CB C 344 66.140 66.140 64.662 1.478 17838 416 1 . 1 1 75 75 SER H H 344 8.430 8.430 8.792 -0.362 17838 417 1 . 1 1 76 76 PHE N N 345 119.990 119.990 123.129 -3.139 17838 418 1 . 1 1 76 76 PHE HA H 345 4.800 4.800 4.746 0.054 17838 419 1 . 1 1 76 76 PHE C C 345 173.440 173.440 173.377 0.064 17838 420 1 . 1 1 76 76 PHE CA C 345 56.080 56.080 56.135 -0.055 17838 421 1 . 1 1 76 76 PHE CB C 345 43.520 43.520 42.292 1.228 17838 422 1 . 1 1 76 76 PHE H H 345 9.440 9.440 8.686 0.754 17838 423 1 . 1 1 77 77 GLU N N 346 124.120 124.120 128.865 -4.745 17838 424 1 . 1 1 77 77 GLU HA H 346 4.890 4.890 4.364 0.526 17838 425 1 . 1 1 77 77 GLU C C 346 175.510 175.510 174.925 0.585 17838 426 1 . 1 1 77 77 GLU CA C 346 55.880 55.880 55.572 0.308 17838 427 1 . 1 1 77 77 GLU CB C 346 29.220 29.220 28.584 0.636 17838 428 1 . 1 1 77 77 GLU H H 346 9.000 9.000 8.773 0.227 17838 429 1 . 1 1 78 78 VAL N N 347 125.140 125.140 118.412 6.728 17838 430 1 . 1 1 78 78 VAL HA H 347 4.390 4.390 4.448 -0.058 17838 431 1 . 1 1 78 78 VAL CA C 347 59.350 59.350 58.105 1.245 17838 432 1 . 1 1 78 78 VAL CB C 347 35.710 35.710 33.835 1.875 17838 433 1 . 1 1 78 78 VAL H H 347 8.470 8.470 7.600 0.870 17838 434 1 . 1 1 79 79 PRO HA H 348 4.550 4.550 4.611 -0.060 17838 435 1 . 1 1 79 79 PRO C C 348 177.330 177.330 178.070 -0.740 17838 436 1 . 1 1 79 79 PRO CA C 348 62.850 62.850 62.896 -0.047 17838 437 1 . 1 1 79 79 PRO CB C 348 32.870 32.870 31.910 0.960 17838 438 1 . 1 1 80 80 PHE N N 349 125.590 125.590 119.341 6.249 17838 439 1 . 1 1 80 80 PHE HA H 349 4.610 4.610 3.871 0.739 17838 440 1 . 1 1 80 80 PHE C C 349 177.630 177.630 176.463 1.167 17838 441 1 . 1 1 80 80 PHE CA C 349 61.050 61.050 60.343 0.707 17838 442 1 . 1 1 80 80 PHE CB C 349 38.960 38.960 37.797 1.163 17838 443 1 . 1 1 80 80 PHE H H 349 9.250 9.250 8.293 0.957 17838 444 1 . 1 1 81 81 GLU N N 350 116.260 116.260 117.351 -1.091 17838 445 1 . 1 1 81 81 GLU HA H 350 3.870 3.870 4.010 -0.140 17838 446 1 . 1 1 81 81 GLU C C 350 176.960 176.960 177.080 -0.120 17838 447 1 . 1 1 81 81 GLU CA C 350 58.870 58.870 57.365 1.505 17838 448 1 . 1 1 81 81 GLU CB C 350 28.590 28.590 28.266 0.324 17838 449 1 . 1 1 81 81 GLU H H 350 9.120 9.120 7.955 1.165 17838 450 1 . 1 1 82 82 GLN N N 351 116.390 116.390 118.302 -1.912 17838 451 1 . 1 1 82 82 GLN HA H 351 4.300 4.300 4.258 0.042 17838 452 1 . 1 1 82 82 GLN C C 351 177.670 177.670 177.516 0.154 17838 453 1 . 1 1 82 82 GLN CA C 351 55.020 55.020 56.399 -1.379 17838 454 1 . 1 1 82 82 GLN CB C 351 30.360 30.360 29.368 0.992 17838 455 1 . 1 1 82 82 GLN H H 351 8.080 8.080 7.658 0.422 17838 456 1 . 1 1 83 83 ILE N N 352 120.350 120.350 120.787 -0.438 17838 457 1 . 1 1 83 83 ILE HA H 352 3.900 3.900 3.843 0.057 17838 458 1 . 1 1 83 83 ILE C C 352 174.820 174.820 176.156 -1.336 17838 459 1 . 1 1 83 83 ILE CA C 352 60.850 60.850 64.204 -3.353 17838 460 1 . 1 1 83 83 ILE CB C 352 38.610 38.610 38.127 0.483 17838 461 1 . 1 1 83 83 ILE H H 352 7.110 7.110 7.387 -0.277 17838 462 1 . 1 1 84 84 GLN N N 353 116.230 116.230 114.919 1.311 17838 463 1 . 1 1 84 84 GLN HA H 353 4.290 4.290 4.479 -0.189 17838 464 1 . 1 1 84 84 GLN C C 353 176.520 176.520 175.570 0.950 17838 465 1 . 1 1 84 84 GLN CA C 353 57.040 57.040 56.145 0.895 17838 466 1 . 1 1 84 84 GLN CB C 353 27.700 27.700 27.869 -0.169 17838 467 1 . 1 1 84 84 GLN H H 353 8.110 8.110 8.402 -0.292 17838 468 1 . 1 1 85 85 LYS N N 354 114.900 114.900 116.766 -1.866 17838 469 1 . 1 1 85 85 LYS HA H 354 4.010 4.010 4.329 -0.319 17838 470 1 . 1 1 85 85 LYS C C 354 175.920 175.920 175.457 0.463 17838 471 1 . 1 1 85 85 LYS CA C 354 55.090 55.090 55.839 -0.749 17838 472 1 . 1 1 85 85 LYS CB C 354 33.610 33.610 33.703 -0.093 17838 473 1 . 1 1 85 85 LYS H H 354 7.750 7.750 7.790 -0.040 17838 474 1 . 1 1 86 86 VAL N N 355 112.960 112.960 114.264 -1.304 17838 475 1 . 1 1 86 86 VAL HA H 355 4.810 4.810 4.478 0.332 17838 476 1 . 1 1 86 86 VAL C C 355 174.780 174.780 173.956 0.824 17838 477 1 . 1 1 86 86 VAL CA C 355 60.450 60.450 59.931 0.519 17838 478 1 . 1 1 86 86 VAL CB C 355 34.320 34.320 34.740 -0.420 17838 479 1 . 1 1 86 86 VAL H H 355 6.900 6.900 7.230 -0.330 17838 480 1 . 1 1 87 87 GLN N N 356 118.230 118.230 121.385 -3.155 17838 481 1 . 1 1 87 87 GLN HA H 356 4.370 4.370 4.801 -0.430 17838 482 1 . 1 1 87 87 GLN C C 356 174.390 174.390 174.083 0.307 17838 483 1 . 1 1 87 87 GLN CA C 356 54.410 54.410 55.096 -0.686 17838 484 1 . 1 1 87 87 GLN CB C 356 30.820 30.820 31.251 -0.431 17838 485 1 . 1 1 87 87 GLN H H 356 8.560 8.560 8.332 0.228 17838 486 1 . 1 1 88 88 VAL N N 357 122.080 122.080 127.062 -4.982 17838 487 1 . 1 1 88 88 VAL HA H 357 4.580 4.580 4.650 -0.070 17838 488 1 . 1 1 88 88 VAL C C 357 173.860 173.860 173.689 0.171 17838 489 1 . 1 1 88 88 VAL CA C 357 61.190 61.190 60.639 0.551 17838 490 1 . 1 1 88 88 VAL CB C 357 31.950 31.950 33.820 -1.870 17838 491 1 . 1 1 88 88 VAL H H 357 8.300 8.300 9.059 -0.759 17838 492 1 . 1 1 89 89 VAL N N 358 127.800 127.800 127.641 0.159 17838 493 1 . 1 1 89 89 VAL HA H 358 4.270 4.270 5.070 -0.800 17838 494 1 . 1 1 89 89 VAL C C 358 174.840 174.840 174.248 0.592 17838 495 1 . 1 1 89 89 VAL CA C 358 61.240 61.240 59.313 1.927 17838 496 1 . 1 1 89 89 VAL CB C 358 33.020 33.020 35.308 -2.288 17838 497 1 . 1 1 89 89 VAL H H 358 9.010 9.010 9.157 -0.147 17838 498 1 . 1 1 90 90 VAL N N 359 129.800 129.800 129.853 -0.053 17838 499 1 . 1 1 90 90 VAL HA H 359 4.490 4.490 4.154 0.336 17838 500 1 . 1 1 90 90 VAL C C 359 173.580 173.580 175.346 -1.766 17838 501 1 . 1 1 90 90 VAL CA C 359 61.480 61.480 61.599 -0.119 17838 502 1 . 1 1 90 90 VAL CB C 359 33.530 33.530 31.219 2.311 17838 503 1 . 1 1 90 90 VAL H H 359 9.120 9.120 8.848 0.273 17838 504 1 . 1 1 91 91 THR N N 360 122.290 122.290 123.251 -0.961 17838 505 1 . 1 1 91 91 THR HA H 360 4.770 4.770 4.567 0.203 17838 506 1 . 1 1 91 91 THR C C 360 173.010 173.010 173.866 -0.856 17838 507 1 . 1 1 91 91 THR CA C 360 61.360 61.360 61.493 -0.133 17838 508 1 . 1 1 91 91 THR CB C 360 70.860 70.860 68.901 1.959 17838 509 1 . 1 1 91 91 THR H H 360 8.750 8.750 9.032 -0.282 17838 510 1 . 1 1 92 92 VAL N N 361 125.180 125.180 127.922 -2.742 17838 511 1 . 1 1 92 92 VAL HA H 361 4.670 4.670 4.175 0.495 17838 512 1 . 1 1 92 92 VAL C C 361 174.220 174.220 174.180 0.040 17838 513 1 . 1 1 92 92 VAL CA C 361 61.000 61.000 62.367 -1.367 17838 514 1 . 1 1 92 92 VAL CB C 361 31.960 31.960 32.504 -0.544 17838 515 1 . 1 1 92 92 VAL H H 361 8.580 8.580 8.347 0.233 17838 516 1 . 1 1 93 93 LEU N N 362 127.950 127.950 126.904 1.046 17838 517 1 . 1 1 93 93 LEU HA H 362 4.750 4.750 4.711 0.039 17838 518 1 . 1 1 93 93 LEU C C 362 173.470 173.470 174.227 -0.757 17838 519 1 . 1 1 93 93 LEU CA C 362 55.470 55.470 53.579 1.891 17838 520 1 . 1 1 93 93 LEU CB C 362 44.440 44.440 47.035 -2.595 17838 521 1 . 1 1 93 93 LEU H H 362 8.860 8.860 8.572 0.288 17838 522 1 . 1 1 94 94 ASP N N 363 116.580 116.580 117.984 -1.404 17838 523 1 . 1 1 94 94 ASP HA H 363 4.810 4.810 5.204 -0.394 17838 524 1 . 1 1 94 94 ASP C C 363 175.870 175.870 174.424 1.446 17838 525 1 . 1 1 94 94 ASP CA C 363 52.020 52.020 52.698 -0.677 17838 526 1 . 1 1 94 94 ASP CB C 363 44.160 44.160 44.356 -0.196 17838 527 1 . 1 1 94 94 ASP H H 363 8.380 8.380 8.103 0.277 17838 528 1 . 1 1 95 95 TYR N N 364 127.590 127.590 121.041 6.549 17838 529 1 . 1 1 95 95 TYR HA H 364 4.310 4.310 4.714 -0.404 17838 530 1 . 1 1 95 95 TYR C C 364 175.260 175.260 174.916 0.344 17838 531 1 . 1 1 95 95 TYR CA C 364 59.750 59.750 55.333 4.417 17838 532 1 . 1 1 95 95 TYR CB C 364 39.300 39.300 38.328 0.972 17838 533 1 . 1 1 95 95 TYR H H 364 9.380 9.380 8.664 0.716 17838 534 1 . 1 1 96 96 ASP N N 365 131.500 131.500 122.595 8.905 17838 535 1 . 1 1 96 96 ASP HA H 365 4.590 4.590 4.356 0.234 17838 536 1 . 1 1 96 96 ASP C C 365 172.480 172.480 175.852 -3.371 17838 537 1 . 1 1 96 96 ASP CA C 365 52.630 52.630 55.814 -3.184 17838 538 1 . 1 1 96 96 ASP CB C 365 41.910 41.910 41.120 0.790 17838 539 1 . 1 1 96 96 ASP H H 365 7.800 7.800 8.277 -0.477 17838 540 1 . 1 1 97 97 LYS N N 366 120.720 120.720 123.703 -2.983 17838 541 1 . 1 1 97 97 LYS HA H 366 3.840 3.840 3.977 -0.137 17838 542 1 . 1 1 97 97 LYS C C 366 176.440 176.440 175.940 0.500 17838 543 1 . 1 1 97 97 LYS CA C 366 58.400 58.400 57.236 1.164 17838 544 1 . 1 1 97 97 LYS CB C 366 33.030 33.030 30.734 2.296 17838 545 1 . 1 1 97 97 LYS H H 366 8.030 8.030 8.796 -0.766 17838 546 1 . 1 1 98 98 ILE N N 367 117.460 117.460 114.332 3.128 17838 547 1 . 1 1 98 98 ILE HA H 367 4.080 4.080 3.766 0.314 17838 548 1 . 1 1 98 98 ILE C C 367 176.200 176.200 175.783 0.417 17838 549 1 . 1 1 98 98 ILE CA C 367 60.910 60.910 62.383 -1.473 17838 550 1 . 1 1 98 98 ILE CB C 367 38.440 38.440 35.662 2.779 17838 551 1 . 1 1 98 98 ILE H H 367 7.790 7.790 8.564 -0.774 17838 552 1 . 1 1 99 99 GLY N N 368 113.730 113.730 109.550 4.179 17838 553 1 . 1 1 99 99 GLY C C 368 173.460 173.460 172.929 0.531 17838 554 1 . 1 1 99 99 GLY CA C 368 44.190 44.190 45.359 -1.169 17838 555 1 . 1 1 99 99 GLY H H 368 8.160 8.160 7.770 0.390 17838 556 1 . 1 1 100 100 LYS N N 369 119.980 119.980 121.491 -1.511 17838 557 1 . 1 1 100 100 LYS HA H 369 4.260 4.260 4.670 -0.410 17838 558 1 . 1 1 100 100 LYS C C 369 175.270 175.270 174.587 0.683 17838 559 1 . 1 1 100 100 LYS CA C 369 56.030 56.030 55.749 0.281 17838 560 1 . 1 1 100 100 LYS CB C 369 33.090 33.090 34.532 -1.442 17838 561 1 . 1 1 100 100 LYS H H 369 8.020 8.020 8.210 -0.190 17838 562 1 . 1 1 101 101 ASN N N 370 124.530 124.530 123.724 0.807 17838 563 1 . 1 1 101 101 ASN HA H 370 5.040 5.040 4.983 0.057 17838 564 1 . 1 1 101 101 ASN CA C 370 52.230 52.230 51.862 0.368 17838 565 1 . 1 1 101 101 ASN CB C 370 38.490 38.490 41.703 -3.213 17838 566 1 . 1 1 101 101 ASN H H 370 8.730 8.730 8.635 0.095 17838 567 1 . 1 1 102 102 ASP N N 371 123.520 123.520 118.745 4.775 17838 568 1 . 1 1 102 102 ASP HA H 371 4.590 4.590 4.639 -0.049 17838 569 1 . 1 1 102 102 ASP CA C 371 53.980 53.980 53.517 0.463 17838 570 1 . 1 1 102 102 ASP CB C 371 42.940 42.940 43.209 -0.269 17838 571 1 . 1 1 102 102 ASP H H 371 8.550 8.550 8.325 0.225 17838 572 1 . 1 1 103 103 ALA N N 372 124.120 124.120 121.306 2.814 17838 573 1 . 1 1 103 103 ALA HA H 372 4.210 4.210 4.158 0.052 17838 574 1 . 1 1 103 103 ALA C C 372 177.140 177.140 176.752 0.388 17838 575 1 . 1 1 103 103 ALA CA C 372 52.910 52.910 53.094 -0.184 17838 576 1 . 1 1 103 103 ALA CB C 372 17.740 17.740 17.470 0.270 17838 577 1 . 1 1 103 103 ALA H H 372 8.870 8.870 8.539 0.331 17838 578 1 . 1 1 104 104 ILE N N 373 123.110 123.110 117.189 5.921 17838 579 1 . 1 1 104 104 ILE HA H 373 3.850 3.850 4.318 -0.468 17838 580 1 . 1 1 104 104 ILE C C 373 176.450 176.450 176.224 0.226 17838 581 1 . 1 1 104 104 ILE CA C 373 64.670 64.670 60.544 4.126 17838 582 1 . 1 1 104 104 ILE CB C 373 38.900 38.900 39.511 -0.610 17838 583 1 . 1 1 104 104 ILE H H 373 9.490 9.490 8.011 1.479 17838 584 1 . 1 1 105 105 GLY N N 374 99.210 99.210 106.953 -7.743 17838 585 1 . 1 1 105 105 GLY C C 374 170.160 170.160 171.781 -1.621 17838 586 1 . 1 1 105 105 GLY CA C 374 46.130 46.130 45.372 0.758 17838 587 1 . 1 1 105 105 GLY H H 374 7.310 7.310 7.757 -0.447 17838 588 1 . 1 1 106 106 LYS N N 375 119.580 119.580 121.052 -1.472 17838 589 1 . 1 1 106 106 LYS HA H 375 5.520 5.520 5.426 0.094 17838 590 1 . 1 1 106 106 LYS C C 375 173.600 173.600 174.485 -0.885 17838 591 1 . 1 1 106 106 LYS CA C 375 55.130 55.130 55.499 -0.369 17838 592 1 . 1 1 106 106 LYS CB C 375 39.040 39.040 37.337 1.703 17838 593 1 . 1 1 106 106 LYS H H 375 9.600 9.600 8.724 0.876 17838 594 1 . 1 1 107 107 VAL N N 376 116.620 116.620 121.044 -4.423 17838 595 1 . 1 1 107 107 VAL HA H 376 4.670 4.670 4.161 0.509 17838 596 1 . 1 1 107 107 VAL C C 376 172.040 172.040 173.015 -0.975 17838 597 1 . 1 1 107 107 VAL CA C 376 60.670 60.670 59.871 0.799 17838 598 1 . 1 1 107 107 VAL CB C 376 35.220 35.220 35.630 -0.410 17838 599 1 . 1 1 107 107 VAL H H 376 8.910 8.910 7.977 0.933 17838 600 1 . 1 1 108 108 PHE N N 377 120.920 120.920 122.439 -1.519 17838 601 1 . 1 1 108 108 PHE HA H 377 5.690 5.690 5.460 0.230 17838 602 1 . 1 1 108 108 PHE CA C 377 55.460 55.460 54.741 0.719 17838 603 1 . 1 1 108 108 PHE CB C 377 44.420 44.420 40.648 3.772 17838 604 1 . 1 1 108 108 PHE H H 377 8.560 8.560 7.679 0.881 17838 605 1 . 1 1 109 109 VAL N N 378 108.500 108.500 116.359 -7.859 17838 606 1 . 1 1 109 109 VAL HA H 378 4.150 4.150 4.559 -0.409 17838 607 1 . 1 1 109 109 VAL CA C 378 58.140 58.140 59.439 -1.299 17838 608 1 . 1 1 109 109 VAL CB C 378 33.750 33.750 34.443 -0.693 17838 609 1 . 1 1 109 109 VAL H H 378 8.320 8.320 8.764 -0.444 17838 610 1 . 1 1 110 110 GLY CA C 379 41.340 41.340 44.691 -3.351 17838 611 1 . 1 1 111 111 TYR HA H 380 4.010 4.010 4.227 -0.217 17838 612 1 . 1 1 111 111 TYR CA C 380 59.880 59.880 60.687 -0.807 17838 613 1 . 1 1 111 111 TYR CB C 380 37.860 37.860 39.096 -1.236 17838 614 1 . 1 1 112 112 ASN HA H 381 4.250 4.250 4.362 -0.113 17838 615 1 . 1 1 112 112 ASN CA C 381 54.170 54.170 52.480 1.690 17838 616 1 . 1 1 112 112 ASN CB C 381 37.810 37.810 36.429 1.381 17838 617 1 . 1 1 113 113 SER HA H 382 4.140 4.140 4.704 -0.564 17838 618 1 . 1 1 113 113 SER C C 382 172.760 172.760 174.261 -1.501 17838 619 1 . 1 1 113 113 SER CA C 382 58.610 58.610 56.948 1.662 17838 620 1 . 1 1 113 113 SER CB C 382 64.620 64.620 65.281 -0.661 17838 621 1 . 1 1 114 114 THR N N 383 106.230 106.230 117.432 -11.202 17838 622 1 . 1 1 114 114 THR HA H 383 4.730 4.730 4.438 0.292 17838 623 1 . 1 1 114 114 THR C C 383 176.030 176.030 175.962 0.069 17838 624 1 . 1 1 114 114 THR CA C 383 60.120 60.120 62.399 -2.279 17838 625 1 . 1 1 114 114 THR CB C 383 72.950 72.950 69.686 3.264 17838 626 1 . 1 1 114 114 THR H H 383 7.710 7.710 8.326 -0.616 17838 627 1 . 1 1 115 115 GLY N N 384 108.400 108.400 108.501 -0.101 17838 628 1 . 1 1 115 115 GLY C C 384 175.920 175.920 174.914 1.006 17838 629 1 . 1 1 115 115 GLY CA C 384 47.150 47.150 46.633 0.517 17838 630 1 . 1 1 115 115 GLY H H 384 8.840 8.840 8.689 0.151 17838 631 1 . 1 1 116 116 ALA N N 385 129.610 129.610 122.944 6.666 17838 632 1 . 1 1 116 116 ALA HA H 385 4.110 4.110 4.276 -0.166 17838 633 1 . 1 1 116 116 ALA C C 385 179.670 179.670 179.478 0.192 17838 634 1 . 1 1 116 116 ALA CA C 385 54.310 54.310 53.979 0.331 17838 635 1 . 1 1 116 116 ALA CB C 385 18.100 18.100 19.157 -1.057 17838 636 1 . 1 1 116 116 ALA H H 385 9.310 9.310 8.059 1.251 17838 637 1 . 1 1 117 117 GLU N N 386 121.720 121.720 119.817 1.903 17838 638 1 . 1 1 117 117 GLU HA H 386 4.110 4.110 4.221 -0.111 17838 639 1 . 1 1 117 117 GLU C C 386 175.960 175.960 179.103 -3.144 17838 640 1 . 1 1 117 117 GLU CA C 386 62.450 62.450 59.440 3.010 17838 641 1 . 1 1 117 117 GLU CB C 386 29.830 29.830 29.174 0.656 17838 642 1 . 1 1 117 117 GLU H H 386 8.140 8.140 8.188 -0.048 17838 643 1 . 1 1 118 118 LEU N N 387 122.820 122.820 121.818 1.002 17838 644 1 . 1 1 118 118 LEU HA H 387 4.140 4.140 4.241 -0.101 17838 645 1 . 1 1 118 118 LEU C C 387 179.580 179.580 178.652 0.928 17838 646 1 . 1 1 118 118 LEU CA C 387 56.900 56.900 57.926 -1.026 17838 647 1 . 1 1 118 118 LEU CB C 387 40.270 40.270 41.824 -1.555 17838 648 1 . 1 1 118 118 LEU H H 387 6.570 6.570 8.195 -1.625 17838 649 1 . 1 1 119 119 ARG N N 388 119.950 119.950 118.558 1.392 17838 650 1 . 1 1 119 119 ARG HA H 388 4.090 4.090 4.042 0.048 17838 651 1 . 1 1 119 119 ARG C C 388 177.240 177.240 177.864 -0.624 17838 652 1 . 1 1 119 119 ARG CA C 388 59.220 59.220 59.146 0.074 17838 653 1 . 1 1 119 119 ARG CB C 388 29.990 29.990 29.992 -0.002 17838 654 1 . 1 1 119 119 ARG H H 388 8.120 8.120 8.202 -0.082 17838 655 1 . 1 1 120 120 HIS N N 389 118.040 118.040 118.263 -0.223 17838 656 1 . 1 1 120 120 HIS HA H 389 4.560 4.560 4.840 -0.280 17838 657 1 . 1 1 120 120 HIS CA C 389 57.520 57.520 57.311 0.209 17838 658 1 . 1 1 120 120 HIS CB C 389 32.980 32.980 30.639 2.341 17838 659 1 . 1 1 120 120 HIS H H 389 7.510 7.510 7.971 -0.461 17838 660 1 . 1 1 121 121 TRP N N 390 118.700 118.700 121.959 -3.259 17838 661 1 . 1 1 121 121 TRP HA H 390 4.010 4.010 4.383 -0.373 17838 662 1 . 1 1 121 121 TRP C C 390 176.900 176.900 177.744 -0.844 17838 663 1 . 1 1 121 121 TRP CA C 390 60.240 60.240 60.975 -0.735 17838 664 1 . 1 1 121 121 TRP CB C 390 30.800 30.800 29.852 0.948 17838 665 1 . 1 1 121 121 TRP H H 390 7.650 7.650 8.700 -1.050 17838 666 1 . 1 1 122 122 SER N N 391 113.110 113.110 112.816 0.294 17838 667 1 . 1 1 122 122 SER HA H 391 4.010 4.010 4.484 -0.474 17838 668 1 . 1 1 122 122 SER C C 391 177.460 177.460 173.906 3.553 17838 669 1 . 1 1 122 122 SER CA C 391 61.970 61.970 59.522 2.448 17838 670 1 . 1 1 122 122 SER CB C 391 62.490 62.490 62.532 -0.042 17838 671 1 . 1 1 122 122 SER H H 391 9.060 9.060 8.293 0.767 17838 672 1 . 1 1 123 123 ASP N N 392 123.980 123.980 120.232 3.748 17838 673 1 . 1 1 123 123 ASP HA H 392 4.380 4.380 4.708 -0.328 17838 674 1 . 1 1 123 123 ASP C C 392 178.830 178.830 176.433 2.397 17838 675 1 . 1 1 123 123 ASP CA C 392 57.570 57.570 55.388 2.182 17838 676 1 . 1 1 123 123 ASP CB C 392 40.040 40.040 41.973 -1.933 17838 677 1 . 1 1 123 123 ASP H H 392 8.870 8.870 8.080 0.790 17838 678 1 . 1 1 124 124 MET N N 393 121.910 121.910 118.726 3.184 17838 679 1 . 1 1 124 124 MET HA H 393 3.970 3.970 4.577 -0.607 17838 680 1 . 1 1 124 124 MET C C 393 179.000 179.000 176.906 2.094 17838 681 1 . 1 1 124 124 MET CA C 393 59.350 59.350 56.321 3.029 17838 682 1 . 1 1 124 124 MET CB C 393 32.590 32.590 34.456 -1.865 17838 683 1 . 1 1 124 124 MET H H 393 7.960 7.960 8.169 -0.209 17838 684 1 . 1 1 125 125 LEU N N 394 118.500 118.500 115.411 3.089 17838 685 1 . 1 1 125 125 LEU HA H 394 3.890 3.890 4.823 -0.933 17838 686 1 . 1 1 125 125 LEU C C 394 178.170 178.170 177.094 1.076 17838 687 1 . 1 1 125 125 LEU CA C 394 56.880 56.880 54.273 2.607 17838 688 1 . 1 1 125 125 LEU CB C 394 41.730 41.730 40.818 0.912 17838 689 1 . 1 1 125 125 LEU H H 394 7.610 7.610 7.304 0.306 17838 690 1 . 1 1 126 126 ALA N N 395 118.600 118.600 120.120 -1.520 17838 691 1 . 1 1 126 126 ALA HA H 395 4.220 4.220 4.015 0.205 17838 692 1 . 1 1 126 126 ALA C C 395 176.770 176.770 176.734 0.036 17838 693 1 . 1 1 126 126 ALA CA C 395 52.850 52.850 53.605 -0.755 17838 694 1 . 1 1 126 126 ALA CB C 395 19.460 19.460 19.148 0.312 17838 695 1 . 1 1 126 126 ALA H H 395 7.850 7.850 7.929 -0.079 17838 696 1 . 1 1 127 127 ASN N N 396 115.840 115.840 114.603 1.237 17838 697 1 . 1 1 127 127 ASN HA H 396 5.100 5.100 4.871 0.229 17838 698 1 . 1 1 127 127 ASN CA C 396 51.110 51.110 53.309 -2.199 17838 699 1 . 1 1 127 127 ASN CB C 396 40.740 40.740 38.543 2.197 17838 700 1 . 1 1 127 127 ASN H H 396 7.150 7.150 7.922 -0.772 17838 701 1 . 1 1 128 128 PRO HA H 397 4.750 4.750 4.486 0.264 17838 702 1 . 1 1 128 128 PRO C C 397 177.390 177.390 176.573 0.817 17838 703 1 . 1 1 128 128 PRO CA C 397 63.910 63.910 63.187 0.723 17838 704 1 . 1 1 128 128 PRO CB C 397 32.250 32.250 32.219 0.030 17838 705 1 . 1 1 129 129 ARG N N 398 111.560 111.560 117.500 -5.940 17838 706 1 . 1 1 129 129 ARG HA H 398 3.530 3.530 4.766 -1.236 17838 707 1 . 1 1 129 129 ARG C C 398 174.880 174.880 175.505 -0.625 17838 708 1 . 1 1 129 129 ARG CA C 398 58.750 58.750 54.895 3.855 17838 709 1 . 1 1 129 129 ARG CB C 398 29.040 29.040 30.368 -1.328 17838 710 1 . 1 1 129 129 ARG H H 398 8.300 8.300 8.500 -0.200 17838 711 1 . 1 1 130 130 ARG N N 399 120.840 120.840 122.072 -1.232 17838 712 1 . 1 1 130 130 ARG HA H 399 4.800 4.800 4.565 0.235 17838 713 1 . 1 1 130 130 ARG CA C 399 53.050 53.050 52.608 0.442 17838 714 1 . 1 1 130 130 ARG CB C 399 31.420 31.420 29.607 1.813 17838 715 1 . 1 1 130 130 ARG H H 399 7.980 7.980 8.194 -0.214 17838 716 1 . 1 1 131 131 PRO HA H 400 4.810 4.810 4.605 0.205 17838 717 1 . 1 1 131 131 PRO C C 400 176.610 176.610 175.468 1.142 17838 718 1 . 1 1 131 131 PRO CA C 400 61.490 61.490 62.337 -0.847 17838 719 1 . 1 1 131 131 PRO CB C 400 43.560 43.560 31.244 12.316 17838 720 1 . 1 1 132 132 ILE N N 401 123.900 123.900 125.033 -1.133 17838 721 1 . 1 1 132 132 ILE HA H 401 4.530 4.530 4.206 0.324 17838 722 1 . 1 1 132 132 ILE C C 401 176.480 176.480 175.291 1.190 17838 723 1 . 1 1 132 132 ILE CA C 401 58.360 58.360 59.433 -1.073 17838 724 1 . 1 1 132 132 ILE CB C 401 39.250 39.250 37.183 2.067 17838 725 1 . 1 1 132 132 ILE H H 401 9.000 9.000 7.852 1.148 17838 726 1 . 1 1 133 133 ALA N N 402 137.830 137.830 131.370 6.460 17838 727 1 . 1 1 133 133 ALA HA H 402 4.920 4.920 4.798 0.122 17838 728 1 . 1 1 133 133 ALA C C 402 175.260 175.260 176.560 -1.300 17838 729 1 . 1 1 133 133 ALA CA C 402 51.090 51.090 51.495 -0.405 17838 730 1 . 1 1 133 133 ALA CB C 402 20.360 20.360 20.054 0.306 17838 731 1 . 1 1 133 133 ALA H H 402 9.560 9.560 8.611 0.949 17838 732 1 . 1 1 134 134 GLN N N 403 119.730 119.730 122.673 -2.943 17838 733 1 . 1 1 134 134 GLN HA H 403 4.020 4.020 4.563 -0.543 17838 734 1 . 1 1 134 134 GLN C C 403 173.700 173.700 174.416 -0.715 17838 735 1 . 1 1 134 134 GLN CA C 403 55.050 55.050 54.174 0.876 17838 736 1 . 1 1 134 134 GLN CB C 403 32.660 32.660 31.893 0.767 17838 737 1 . 1 1 134 134 GLN H H 403 7.620 7.620 8.598 -0.978 17838 738 1 . 1 1 135 135 TRP N N 404 123.420 123.420 122.193 1.227 17838 739 1 . 1 1 135 135 TRP HA H 404 4.510 4.510 5.135 -0.625 17838 740 1 . 1 1 135 135 TRP C C 404 176.280 176.280 175.258 1.022 17838 741 1 . 1 1 135 135 TRP CA C 404 57.880 57.880 55.238 2.642 17838 742 1 . 1 1 135 135 TRP CB C 404 30.110 30.110 30.710 -0.601 17838 743 1 . 1 1 135 135 TRP H H 404 8.310 8.310 7.911 0.399 17838 744 1 . 1 1 136 136 HIS N N 405 117.210 117.210 122.831 -5.620 17838 745 1 . 1 1 136 136 HIS HA H 405 4.810 4.810 4.817 -0.007 17838 746 1 . 1 1 136 136 HIS C C 405 173.490 173.490 174.342 -0.852 17838 747 1 . 1 1 136 136 HIS CA C 405 55.160 55.160 55.539 -0.379 17838 748 1 . 1 1 136 136 HIS CB C 405 33.410 33.410 33.660 -0.250 17838 749 1 . 1 1 136 136 HIS H H 405 9.470 9.470 8.578 0.892 17838 750 1 . 1 1 137 137 THR N N 406 122.780 122.780 118.829 3.951 17838 751 1 . 1 1 137 137 THR HA H 406 4.840 4.840 4.474 0.366 17838 752 1 . 1 1 137 137 THR C C 406 174.350 174.350 174.121 0.229 17838 753 1 . 1 1 137 137 THR CA C 406 62.650 62.650 62.954 -0.304 17838 754 1 . 1 1 137 137 THR CB C 406 70.330 70.330 69.238 1.091 17838 755 1 . 1 1 137 137 THR H H 406 9.430 9.430 8.068 1.362 17838 756 1 . 1 1 138 138 LEU N N 407 124.890 124.890 123.914 0.976 17838 757 1 . 1 1 138 138 LEU HA H 407 3.910 3.910 4.505 -0.595 17838 758 1 . 1 1 138 138 LEU C C 407 175.480 175.480 176.310 -0.830 17838 759 1 . 1 1 138 138 LEU CA C 407 55.950 55.950 53.807 2.143 17838 760 1 . 1 1 138 138 LEU CB C 407 43.050 43.050 44.632 -1.582 17838 761 1 . 1 1 138 138 LEU H H 407 8.730 8.730 8.478 0.252 17838 762 1 . 1 1 139 139 GLN N N 408 119.630 119.630 119.601 0.029 17838 763 1 . 1 1 139 139 GLN HA H 408 4.680 4.680 4.709 -0.029 17838 764 1 . 1 1 139 139 GLN C C 408 175.100 175.100 175.413 -0.313 17838 765 1 . 1 1 139 139 GLN CA C 408 53.830 53.830 53.881 -0.051 17838 766 1 . 1 1 139 139 GLN CB C 408 32.150 32.150 31.645 0.505 17838 767 1 . 1 1 139 139 GLN H H 408 8.470 8.470 8.685 -0.215 17838 768 1 . 1 1 140 140 VAL N N 409 119.820 119.820 116.232 3.588 17838 769 1 . 1 1 140 140 VAL HA H 409 3.850 3.850 4.332 -0.482 17838 770 1 . 1 1 140 140 VAL C C 409 178.020 178.020 177.130 0.890 17838 771 1 . 1 1 140 140 VAL CA C 409 63.130 63.130 61.027 2.103 17838 772 1 . 1 1 140 140 VAL CB C 409 32.500 32.500 33.190 -0.690 17838 773 1 . 1 1 140 140 VAL H H 409 8.410 8.410 8.310 0.100 17838 774 1 . 1 1 141 141 GLU N N 410 127.170 127.170 120.840 6.329 17838 775 1 . 1 1 141 141 GLU HA H 410 3.490 3.490 4.007 -0.518 17838 776 1 . 1 1 141 141 GLU C C 410 176.850 176.850 178.690 -1.840 17838 777 1 . 1 1 141 141 GLU CA C 410 60.610 60.610 59.721 0.890 17838 778 1 . 1 1 141 141 GLU CB C 410 29.530 29.530 28.949 0.581 17838 779 1 . 1 1 141 141 GLU H H 410 8.940 8.940 8.938 0.002 17838 780 1 . 1 1 142 142 GLU N N 411 115.780 115.780 118.847 -3.067 17838 781 1 . 1 1 142 142 GLU HA H 411 3.950 3.950 4.077 -0.127 17838 782 1 . 1 1 142 142 GLU C C 411 179.050 179.050 178.994 0.056 17838 783 1 . 1 1 142 142 GLU CA C 411 59.920 59.920 59.377 0.543 17838 784 1 . 1 1 142 142 GLU CB C 411 28.940 28.940 28.976 -0.036 17838 785 1 . 1 1 142 142 GLU H H 411 9.070 9.070 8.772 0.298 17838 786 1 . 1 1 143 143 GLU N N 412 118.520 118.520 118.296 0.224 17838 787 1 . 1 1 143 143 GLU HA H 412 4.050 4.050 4.232 -0.182 17838 788 1 . 1 1 143 143 GLU C C 412 178.870 178.870 178.512 0.358 17838 789 1 . 1 1 143 143 GLU CA C 412 58.590 58.590 58.544 0.046 17838 790 1 . 1 1 143 143 GLU CB C 412 29.190 29.190 29.730 -0.540 17838 791 1 . 1 1 143 143 GLU H H 412 7.080 7.080 7.689 -0.609 17838 792 1 . 1 1 144 144 VAL N N 413 121.110 121.110 120.377 0.733 17838 793 1 . 1 1 144 144 VAL HA H 413 3.680 3.680 4.025 -0.345 17838 794 1 . 1 1 144 144 VAL C C 413 177.970 177.970 177.466 0.503 17838 795 1 . 1 1 144 144 VAL CA C 413 66.140 66.140 64.412 1.728 17838 796 1 . 1 1 144 144 VAL CB C 413 31.620 31.620 32.112 -0.492 17838 797 1 . 1 1 144 144 VAL H H 413 7.550 7.550 7.528 0.022 17838 798 1 . 1 1 145 145 ASP N N 414 120.040 120.040 121.231 -1.191 17838 799 1 . 1 1 145 145 ASP HA H 414 4.020 4.020 4.344 -0.324 17838 800 1 . 1 1 145 145 ASP C C 414 178.910 178.910 177.378 1.532 17838 801 1 . 1 1 145 145 ASP CA C 414 57.620 57.620 57.612 0.008 17838 802 1 . 1 1 145 145 ASP CB C 414 38.690 38.690 40.900 -2.210 17838 803 1 . 1 1 145 145 ASP H H 414 8.660 8.660 8.513 0.147 17838 804 1 . 1 1 146 146 ALA N N 415 121.010 121.010 118.961 2.049 17838 805 1 . 1 1 146 146 ALA HA H 415 4.020 4.020 4.419 -0.399 17838 806 1 . 1 1 146 146 ALA C C 415 179.930 179.930 177.842 2.088 17838 807 1 . 1 1 146 146 ALA CA C 415 54.820 54.820 52.837 1.983 17838 808 1 . 1 1 146 146 ALA CB C 415 17.910 17.910 18.938 -1.028 17838 809 1 . 1 1 146 146 ALA H H 415 7.270 7.270 7.509 -0.239 17838 810 1 . 1 1 147 147 MET N N 416 116.980 116.980 117.085 -0.105 17838 811 1 . 1 1 147 147 MET HA H 416 4.150 4.150 4.438 -0.288 17838 812 1 . 1 1 147 147 MET C C 416 177.990 177.990 176.841 1.149 17838 813 1 . 1 1 147 147 MET CA C 416 57.600 57.600 55.276 2.324 17838 814 1 . 1 1 147 147 MET CB C 416 33.140 33.140 34.044 -0.904 17838 815 1 . 1 1 147 147 MET H H 416 7.410 7.410 7.654 -0.244 17838 816 1 . 1 1 148 148 LEU N N 417 118.550 118.550 117.145 1.405 17838 817 1 . 1 1 148 148 LEU HA H 417 3.540 3.540 4.565 -1.025 17838 818 1 . 1 1 148 148 LEU C C 417 176.810 176.810 176.715 0.095 17838 819 1 . 1 1 148 148 LEU CA C 417 55.670 55.670 55.899 -0.229 17838 820 1 . 1 1 148 148 LEU CB C 417 42.650 42.650 41.265 1.385 17838 821 1 . 1 1 148 148 LEU H H 417 7.560 7.560 7.717 -0.157 17838 822 1 . 1 1 149 149 ALA N N 418 119.940 119.940 122.866 -2.926 17838 823 1 . 1 1 149 149 ALA HA H 418 4.010 4.010 4.305 -0.295 17838 824 1 . 1 1 149 149 ALA C C 418 177.010 177.010 176.873 0.137 17838 825 1 . 1 1 149 149 ALA CA C 418 52.310 52.310 51.280 1.030 17838 826 1 . 1 1 149 149 ALA CB C 418 18.700 18.700 18.071 0.629 17838 827 1 . 1 1 149 149 ALA H H 418 7.080 7.080 7.573 -0.493 17838 828 1 . 1 1 150 150 VAL N N 419 118.810 118.810 120.868 -2.058 17838 829 1 . 1 1 150 150 VAL HA H 419 3.840 3.840 3.730 0.110 17838 830 1 . 1 1 150 150 VAL C C 419 175.760 175.760 175.844 -0.084 17838 831 1 . 1 1 150 150 VAL CA C 419 62.930 62.930 63.461 -0.531 17838 832 1 . 1 1 150 150 VAL CB C 419 32.450 32.450 30.919 1.531 17838 833 1 . 1 1 150 150 VAL H H 419 7.560 7.560 8.027 -0.467 17838 834 1 . 1 1 151 151 LYS N N 420 126.620 126.620 122.693 3.928 17838 835 1 . 1 1 151 151 LYS HA H 420 4.260 4.260 4.229 0.031 17838 836 1 . 1 1 151 151 LYS C C 420 175.210 175.210 175.664 -0.454 17838 837 1 . 1 1 151 151 LYS CA C 420 56.050 56.050 56.721 -0.671 17838 838 1 . 1 1 151 151 LYS CB C 420 33.050 33.050 33.502 -0.452 17838 839 1 . 1 1 151 151 LYS H H 420 8.290 8.290 8.548 -0.258 17838 stop_ save_