data_17775 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17775 _Entry.PDB_ID 2LFR 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 17775 _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 5 5 ILE HA H 280 4.190 4.190 3.823 0.367 17775 2 1 1 . 1 1 5 5 ILE CA C 280 61.650 61.650 64.212 -2.562 17775 3 1 1 . 1 1 5 5 ILE CB C 280 38.520 38.520 37.603 0.917 17775 4 1 1 . 1 1 6 6 THR HA H 281 4.340 4.340 4.023 0.317 17775 5 1 1 . 1 1 6 6 THR CA C 281 62.680 62.680 66.108 -3.428 17775 6 1 1 . 1 1 6 6 THR CB C 281 69.630 69.630 68.281 1.349 17775 7 1 1 . 1 1 8 8 PRO HA H 283 4.230 4.230 4.435 -0.205 17775 8 1 1 . 1 1 8 8 PRO CA C 283 65.940 65.940 65.896 0.044 17775 9 1 1 . 1 1 8 8 PRO CB C 283 30.730 30.730 30.857 -0.127 17775 10 1 1 . 1 1 9 9 ILE N N 284 115.670 115.670 117.935 -2.265 17775 11 1 1 . 1 1 9 9 ILE HA H 284 3.420 3.420 3.867 -0.447 17775 12 1 1 . 1 1 9 9 ILE C C 284 177.820 177.820 178.335 -0.515 17775 13 1 1 . 1 1 9 9 ILE CA C 284 65.540 65.540 64.140 1.400 17775 14 1 1 . 1 1 9 9 ILE CB C 284 36.810 36.810 36.732 0.078 17775 15 1 1 . 1 1 9 9 ILE H H 284 7.300 7.300 7.449 -0.149 17775 16 1 1 . 1 1 10 10 ILE N N 285 121.880 121.880 121.261 0.619 17775 17 1 1 . 1 1 10 10 ILE HA H 285 3.800 3.800 3.808 -0.008 17775 18 1 1 . 1 1 10 10 ILE C C 285 177.690 177.690 179.092 -1.402 17775 19 1 1 . 1 1 10 10 ILE CA C 285 62.880 62.880 63.090 -0.210 17775 20 1 1 . 1 1 10 10 ILE CB C 285 36.560 36.560 36.486 0.074 17775 21 1 1 . 1 1 10 10 ILE H H 285 7.880 7.880 7.700 0.180 17775 22 1 1 . 1 1 11 11 GLU N N 286 120.580 120.580 120.242 0.338 17775 23 1 1 . 1 1 11 11 GLU HA H 286 4.080 4.080 4.008 0.072 17775 24 1 1 . 1 1 11 11 GLU C C 286 180.980 180.980 179.571 1.409 17775 25 1 1 . 1 1 11 11 GLU CA C 286 59.630 59.630 59.903 -0.273 17775 26 1 1 . 1 1 11 11 GLU CB C 286 29.550 29.550 29.758 -0.208 17775 27 1 1 . 1 1 11 11 GLU H H 286 8.450 8.450 8.198 0.252 17775 28 1 1 . 1 1 12 12 LEU N N 287 121.340 121.340 119.619 1.721 17775 29 1 1 . 1 1 12 12 LEU HA H 287 4.010 4.010 4.061 -0.051 17775 30 1 1 . 1 1 12 12 LEU C C 287 178.030 178.030 178.952 -0.922 17775 31 1 1 . 1 1 12 12 LEU CA C 287 58.310 58.310 58.163 0.147 17775 32 1 1 . 1 1 12 12 LEU CB C 287 42.050 42.050 42.038 0.012 17775 33 1 1 . 1 1 12 12 LEU H H 287 8.490 8.490 8.365 0.125 17775 34 1 1 . 1 1 13 13 SER N N 288 117.590 117.590 114.917 2.673 17775 35 1 1 . 1 1 13 13 SER HA H 288 4.190 4.190 4.053 0.137 17775 36 1 1 . 1 1 13 13 SER C C 288 175.660 175.660 176.816 -1.156 17775 37 1 1 . 1 1 13 13 SER CA C 288 61.670 61.670 61.689 -0.019 17775 38 1 1 . 1 1 13 13 SER CB C 288 62.490 62.490 63.023 -0.533 17775 39 1 1 . 1 1 13 13 SER H H 288 8.330 8.330 8.273 0.057 17775 40 1 1 . 1 1 14 14 ASN N N 289 119.150 119.150 121.103 -1.953 17775 41 1 1 . 1 1 14 14 ASN HA H 289 4.450 4.450 4.536 -0.086 17775 42 1 1 . 1 1 14 14 ASN C C 289 178.480 178.480 177.877 0.603 17775 43 1 1 . 1 1 14 14 ASN CA C 289 55.870 55.870 56.158 -0.288 17775 44 1 1 . 1 1 14 14 ASN CB C 289 38.090 38.090 38.316 -0.226 17775 45 1 1 . 1 1 14 14 ASN H H 289 8.650 8.650 8.359 0.291 17775 46 1 1 . 1 1 15 15 THR N N 290 117.650 117.650 117.690 -0.040 17775 47 1 1 . 1 1 15 15 THR HA H 290 3.830 3.830 3.930 -0.100 17775 48 1 1 . 1 1 15 15 THR C C 290 175.030 175.030 176.063 -1.033 17775 49 1 1 . 1 1 15 15 THR CA C 290 67.790 67.790 67.208 0.582 17775 50 1 1 . 1 1 15 15 THR CB C 290 68.660 68.660 68.749 -0.089 17775 51 1 1 . 1 1 15 15 THR H H 290 8.040 8.040 8.045 -0.005 17775 52 1 1 . 1 1 16 16 ALA N N 291 124.470 124.470 124.188 0.282 17775 53 1 1 . 1 1 16 16 ALA HA H 291 3.850 3.850 3.934 -0.084 17775 54 1 1 . 1 1 16 16 ALA C C 291 178.470 178.470 179.169 -0.699 17775 55 1 1 . 1 1 16 16 ALA CA C 291 55.430 55.430 55.173 0.257 17775 56 1 1 . 1 1 16 16 ALA CB C 291 17.820 17.820 18.237 -0.417 17775 57 1 1 . 1 1 16 16 ALA H H 291 8.530 8.530 7.849 0.681 17775 58 1 1 . 1 1 17 17 ASP N N 292 117.560 117.560 119.060 -1.500 17775 59 1 1 . 1 1 17 17 ASP HA H 292 4.360 4.360 4.345 0.015 17775 60 1 1 . 1 1 17 17 ASP C C 292 178.420 178.420 178.833 -0.413 17775 61 1 1 . 1 1 17 17 ASP CA C 292 57.430 57.430 57.648 -0.218 17775 62 1 1 . 1 1 17 17 ASP CB C 292 40.130 40.130 40.369 -0.239 17775 63 1 1 . 1 1 17 17 ASP H H 292 8.290 8.290 8.095 0.195 17775 64 1 1 . 1 1 18 18 LYS N N 293 119.100 119.100 120.014 -0.914 17775 65 1 1 . 1 1 18 18 LYS HA H 293 4.010 4.010 4.010 0.000 17775 66 1 1 . 1 1 18 18 LYS C C 293 180.170 180.170 179.063 1.107 17775 67 1 1 . 1 1 18 18 LYS CA C 293 59.020 59.020 59.609 -0.589 17775 68 1 1 . 1 1 18 18 LYS CB C 293 32.270 32.270 32.495 -0.225 17775 69 1 1 . 1 1 18 18 LYS H H 293 7.690 7.690 7.697 -0.007 17775 70 1 1 . 1 1 19 19 ILE N N 294 122.510 122.510 119.831 2.679 17775 71 1 1 . 1 1 19 19 ILE HA H 294 3.690 3.690 4.068 -0.378 17775 72 1 1 . 1 1 19 19 ILE C C 294 178.920 178.920 178.748 0.172 17775 73 1 1 . 1 1 19 19 ILE CA C 294 64.400 64.400 64.864 -0.464 17775 74 1 1 . 1 1 19 19 ILE CB C 294 38.320 38.320 37.922 0.398 17775 75 1 1 . 1 1 19 19 ILE H H 294 8.220 8.220 7.815 0.405 17775 76 1 1 . 1 1 20 20 ALA N N 295 123.270 123.270 122.140 1.130 17775 77 1 1 . 1 1 20 20 ALA HA H 295 3.850 3.850 4.076 -0.226 17775 78 1 1 . 1 1 20 20 ALA C C 295 179.390 179.390 178.913 0.477 17775 79 1 1 . 1 1 20 20 ALA CA C 295 55.370 55.370 54.832 0.538 17775 80 1 1 . 1 1 20 20 ALA CB C 295 17.880 17.880 18.380 -0.500 17775 81 1 1 . 1 1 20 20 ALA H H 295 8.580 8.580 7.870 0.710 17775 82 1 1 . 1 1 21 21 GLU N N 296 115.530 115.530 116.416 -0.886 17775 83 1 1 . 1 1 21 21 GLU HA H 296 4.160 4.160 4.215 -0.055 17775 84 1 1 . 1 1 21 21 GLU C C 296 176.560 176.560 177.575 -1.015 17775 85 1 1 . 1 1 21 21 GLU CA C 296 56.400 56.400 56.242 0.158 17775 86 1 1 . 1 1 21 21 GLU CB C 296 29.830 29.830 29.658 0.172 17775 87 1 1 . 1 1 21 21 GLU H H 296 7.680 7.680 7.796 -0.116 17775 88 1 1 . 1 1 22 22 GLY N N 297 105.910 105.910 107.991 -2.081 17775 89 1 1 . 1 1 22 22 GLY C C 297 174.160 174.160 174.433 -0.273 17775 90 1 1 . 1 1 22 22 GLY CA C 297 45.040 45.040 44.676 0.364 17775 91 1 1 . 1 1 22 22 GLY H H 297 7.820 7.820 7.966 -0.146 17775 92 1 1 . 1 1 23 23 ASN N N 298 120.260 120.260 121.596 -1.336 17775 93 1 1 . 1 1 23 23 ASN HA H 298 4.960 4.960 4.962 -0.002 17775 94 1 1 . 1 1 23 23 ASN C C 298 174.560 174.560 176.040 -1.480 17775 95 1 1 . 1 1 23 23 ASN CA C 298 51.800 51.800 51.804 -0.004 17775 96 1 1 . 1 1 23 23 ASN CB C 298 36.750 36.750 37.341 -0.591 17775 97 1 1 . 1 1 23 23 ASN H H 298 8.070 8.070 8.197 -0.127 17775 98 1 1 . 1 1 24 24 LEU N N 299 119.750 119.750 122.706 -2.956 17775 99 1 1 . 1 1 24 24 LEU HA H 299 3.950 3.950 4.039 -0.089 17775 100 1 1 . 1 1 24 24 LEU C C 299 176.390 176.390 178.186 -1.796 17775 101 1 1 . 1 1 24 24 LEU CA C 299 56.250 56.250 57.757 -1.507 17775 102 1 1 . 1 1 24 24 LEU CB C 299 41.260 41.260 41.625 -0.365 17775 103 1 1 . 1 1 24 24 LEU H H 299 7.850 7.850 7.495 0.355 17775 104 1 1 . 1 1 25 25 GLU N N 300 114.210 114.210 117.140 -2.930 17775 105 1 1 . 1 1 25 25 GLU HA H 300 4.230 4.230 4.209 0.021 17775 106 1 1 . 1 1 25 25 GLU C C 300 176.050 176.050 175.934 0.116 17775 107 1 1 . 1 1 25 25 GLU CA C 300 55.640 55.640 56.328 -0.688 17775 108 1 1 . 1 1 25 25 GLU CB C 300 29.410 29.410 29.144 0.266 17775 109 1 1 . 1 1 25 25 GLU H H 300 7.840 7.840 8.488 -0.648 17775 110 1 1 . 1 1 26 26 ALA N N 301 124.010 124.010 124.304 -0.294 17775 111 1 1 . 1 1 26 26 ALA HA H 301 3.880 3.880 4.135 -0.255 17775 112 1 1 . 1 1 26 26 ALA C C 301 175.390 175.390 177.133 -1.743 17775 113 1 1 . 1 1 26 26 ALA CA C 301 52.890 52.890 52.577 0.313 17775 114 1 1 . 1 1 26 26 ALA CB C 301 18.570 18.570 18.834 -0.264 17775 115 1 1 . 1 1 26 26 ALA H H 301 6.770 6.770 7.244 -0.474 17775 116 1 1 . 1 1 27 27 GLU N N 302 120.120 120.120 123.641 -3.521 17775 117 1 1 . 1 1 27 27 GLU HA H 302 4.080 4.080 4.164 -0.084 17775 118 1 1 . 1 1 27 27 GLU C C 302 176.510 176.510 176.172 0.338 17775 119 1 1 . 1 1 27 27 GLU CA C 302 55.150 55.150 56.270 -1.120 17775 120 1 1 . 1 1 27 27 GLU CB C 302 30.160 30.160 30.508 -0.348 17775 121 1 1 . 1 1 27 27 GLU H H 302 7.880 7.880 8.403 -0.523 17775 122 1 1 . 1 1 28 28 VAL N N 303 129.020 129.020 125.317 3.703 17775 123 1 1 . 1 1 28 28 VAL HA H 303 4.230 4.230 4.133 0.097 17775 124 1 1 . 1 1 28 28 VAL CA C 303 60.440 60.440 61.069 -0.629 17775 125 1 1 . 1 1 28 28 VAL CB C 303 31.760 31.760 31.765 -0.004 17775 126 1 1 . 1 1 28 28 VAL H H 303 8.890 8.890 8.125 0.765 17775 127 1 1 . 1 1 29 29 PRO HA H 304 4.400 4.400 4.545 -0.145 17775 128 1 1 . 1 1 29 29 PRO CA C 304 62.790 62.790 61.815 0.975 17775 129 1 1 . 1 1 29 29 PRO CB C 304 32.120 32.120 32.964 -0.844 17775 130 1 1 . 1 1 30 30 HIS N N 305 103.640 103.640 112.971 -9.331 17775 131 1 1 . 1 1 30 30 HIS HA H 305 4.210 4.210 4.175 0.035 17775 132 1 1 . 1 1 30 30 HIS C C 305 175.590 175.590 175.984 -0.394 17775 133 1 1 . 1 1 30 30 HIS CA C 305 57.950 57.950 57.288 0.661 17775 134 1 1 . 1 1 30 30 HIS CB C 305 27.910 27.910 27.075 0.835 17775 135 1 1 . 1 1 30 30 HIS H H 305 7.780 7.780 8.407 -0.627 17775 136 1 1 . 1 1 31 31 GLN N N 306 114.840 114.840 117.905 -3.065 17775 137 1 1 . 1 1 31 31 GLN HA H 306 3.990 3.990 4.125 -0.135 17775 138 1 1 . 1 1 31 31 GLN C C 306 176.290 176.290 176.336 -0.046 17775 139 1 1 . 1 1 31 31 GLN CA C 306 58.680 58.680 58.437 0.243 17775 140 1 1 . 1 1 31 31 GLN CB C 306 30.630 30.630 28.785 1.845 17775 141 1 1 . 1 1 31 31 GLN H H 306 8.010 8.010 8.660 -0.650 17775 142 1 1 . 1 1 32 32 ASN N N 307 113.230 113.230 113.659 -0.429 17775 143 1 1 . 1 1 32 32 ASN HA H 307 4.640 4.640 4.626 0.014 17775 144 1 1 . 1 1 32 32 ASN C C 307 175.610 175.610 175.697 -0.087 17775 145 1 1 . 1 1 32 32 ASN CA C 307 52.800 52.800 53.269 -0.469 17775 146 1 1 . 1 1 32 32 ASN CB C 307 37.630 37.630 38.067 -0.437 17775 147 1 1 . 1 1 32 32 ASN H H 307 8.360 8.360 8.100 0.260 17775 148 1 1 . 1 1 33 33 ARG N N 308 119.580 119.580 121.264 -1.684 17775 149 1 1 . 1 1 33 33 ARG HA H 308 4.140 4.140 4.278 -0.138 17775 150 1 1 . 1 1 33 33 ARG CA C 308 56.950 56.950 56.527 0.423 17775 151 1 1 . 1 1 33 33 ARG CB C 308 33.030 33.030 30.976 2.054 17775 152 1 1 . 1 1 33 33 ARG H H 308 7.160 7.160 7.456 -0.296 17775 153 1 1 . 1 1 34 34 ALA HA H 309 4.530 4.530 4.304 0.226 17775 154 1 1 . 1 1 34 34 ALA C C 309 176.610 176.610 177.011 -0.401 17775 155 1 1 . 1 1 34 34 ALA CA C 309 51.650 51.650 52.527 -0.877 17775 156 1 1 . 1 1 34 34 ALA CB C 309 18.830 18.830 19.259 -0.428 17775 157 1 1 . 1 1 35 35 ASP N N 310 117.680 117.680 119.045 -1.365 17775 158 1 1 . 1 1 35 35 ASP HA H 310 4.660 4.660 4.634 0.026 17775 159 1 1 . 1 1 35 35 ASP C C 310 176.740 176.740 177.099 -0.359 17775 160 1 1 . 1 1 35 35 ASP CA C 310 52.240 52.240 53.010 -0.770 17775 161 1 1 . 1 1 35 35 ASP CB C 310 41.580 41.580 40.606 0.974 17775 162 1 1 . 1 1 35 35 ASP H H 310 7.460 7.460 7.713 -0.253 17775 163 1 1 . 1 1 36 36 GLU N N 311 118.110 118.110 117.356 0.754 17775 164 1 1 . 1 1 36 36 GLU HA H 311 3.870 3.870 4.055 -0.185 17775 165 1 1 . 1 1 36 36 GLU C C 311 177.440 177.440 178.460 -1.020 17775 166 1 1 . 1 1 36 36 GLU CA C 311 60.460 60.460 59.828 0.631 17775 167 1 1 . 1 1 36 36 GLU CB C 311 27.660 27.660 29.391 -1.731 17775 168 1 1 . 1 1 36 36 GLU H H 311 9.910 9.910 8.650 1.260 17775 169 1 1 . 1 1 37 37 ILE N N 312 118.790 118.790 119.432 -0.642 17775 170 1 1 . 1 1 37 37 ILE HA H 312 3.570 3.570 3.878 -0.308 17775 171 1 1 . 1 1 37 37 ILE C C 312 177.460 177.460 178.168 -0.708 17775 172 1 1 . 1 1 37 37 ILE CA C 312 63.170 63.170 62.787 0.383 17775 173 1 1 . 1 1 37 37 ILE CB C 312 35.770 35.770 36.638 -0.868 17775 174 1 1 . 1 1 37 37 ILE H H 312 7.420 7.420 7.588 -0.168 17775 175 1 1 . 1 1 38 38 GLY N N 313 108.320 108.320 109.247 -0.927 17775 176 1 1 . 1 1 38 38 GLY C C 313 176.200 176.200 176.183 0.017 17775 177 1 1 . 1 1 38 38 GLY CA C 313 47.090 47.090 47.357 -0.267 17775 178 1 1 . 1 1 38 38 GLY H H 313 7.510 7.510 7.910 -0.400 17775 179 1 1 . 1 1 39 39 ILE N N 314 121.890 121.890 122.619 -0.729 17775 180 1 1 . 1 1 39 39 ILE HA H 314 3.630 3.630 3.689 -0.059 17775 181 1 1 . 1 1 39 39 ILE C C 314 179.070 179.070 177.562 1.508 17775 182 1 1 . 1 1 39 39 ILE CA C 314 64.750 64.750 65.041 -0.291 17775 183 1 1 . 1 1 39 39 ILE CB C 314 37.610 37.610 37.988 -0.378 17775 184 1 1 . 1 1 39 39 ILE H H 314 7.390 7.390 7.701 -0.311 17775 185 1 1 . 1 1 40 40 LEU N N 315 121.370 121.370 121.288 0.082 17775 186 1 1 . 1 1 40 40 LEU HA H 315 4.120 4.120 4.054 0.066 17775 187 1 1 . 1 1 40 40 LEU C C 315 178.560 178.560 178.164 0.396 17775 188 1 1 . 1 1 40 40 LEU CA C 315 57.620 57.620 57.813 -0.193 17775 189 1 1 . 1 1 40 40 LEU CB C 315 41.490 41.490 41.635 -0.145 17775 190 1 1 . 1 1 40 40 LEU H H 315 7.770 7.770 7.695 0.075 17775 191 1 1 . 1 1 41 41 ALA N N 316 123.480 123.480 121.869 1.611 17775 192 1 1 . 1 1 41 41 ALA HA H 316 3.840 3.840 3.964 -0.124 17775 193 1 1 . 1 1 41 41 ALA C C 316 179.700 179.700 179.611 0.089 17775 194 1 1 . 1 1 41 41 ALA CA C 316 56.180 56.180 55.374 0.806 17775 195 1 1 . 1 1 41 41 ALA CB C 316 19.870 19.870 18.402 1.468 17775 196 1 1 . 1 1 41 41 ALA H H 316 9.020 9.020 8.125 0.895 17775 197 1 1 . 1 1 42 42 LYS N N 317 116.890 116.890 118.333 -1.443 17775 198 1 1 . 1 1 42 42 LYS HA H 317 3.900 3.900 3.973 -0.073 17775 199 1 1 . 1 1 42 42 LYS C C 317 179.730 179.730 179.087 0.643 17775 200 1 1 . 1 1 42 42 LYS CA C 317 60.430 60.430 59.633 0.798 17775 201 1 1 . 1 1 42 42 LYS H H 317 8.320 8.320 7.975 0.345 17775 202 1 1 . 1 1 43 43 SER N N 318 119.130 119.130 115.590 3.540 17775 203 1 1 . 1 1 43 43 SER HA H 318 4.340 4.340 4.196 0.144 17775 204 1 1 . 1 1 43 43 SER C C 318 177.430 177.430 176.706 0.724 17775 205 1 1 . 1 1 43 43 SER CA C 318 62.630 62.630 61.869 0.761 17775 206 1 1 . 1 1 43 43 SER CB C 318 63.050 63.050 62.957 0.093 17775 207 1 1 . 1 1 43 43 SER H H 318 8.060 8.060 7.810 0.250 17775 208 1 1 . 1 1 44 44 ILE N N 319 124.020 124.020 123.199 0.821 17775 209 1 1 . 1 1 44 44 ILE HA H 319 3.640 3.640 3.691 -0.051 17775 210 1 1 . 1 1 44 44 ILE C C 319 177.190 177.190 177.864 -0.674 17775 211 1 1 . 1 1 44 44 ILE CA C 319 65.020 65.020 65.148 -0.128 17775 212 1 1 . 1 1 44 44 ILE CB C 319 36.790 36.790 37.652 -0.862 17775 213 1 1 . 1 1 44 44 ILE H H 319 8.250 8.250 7.685 0.565 17775 214 1 1 . 1 1 45 45 GLU N N 320 123.090 123.090 120.602 2.488 17775 215 1 1 . 1 1 45 45 GLU HA H 320 4.600 4.600 3.962 0.638 17775 216 1 1 . 1 1 45 45 GLU C C 320 178.190 178.190 178.718 -0.528 17775 217 1 1 . 1 1 45 45 GLU CA C 320 58.430 58.430 59.433 -1.003 17775 218 1 1 . 1 1 45 45 GLU CB C 320 27.700 27.700 29.249 -1.549 17775 219 1 1 . 1 1 45 45 GLU H H 320 8.390 8.390 8.023 0.367 17775 220 1 1 . 1 1 46 46 ARG N N 321 119.760 119.760 119.131 0.629 17775 221 1 1 . 1 1 46 46 ARG HA H 321 3.930 3.930 4.051 -0.121 17775 222 1 1 . 1 1 46 46 ARG C C 321 179.950 179.950 179.079 0.871 17775 223 1 1 . 1 1 46 46 ARG CA C 321 60.440 60.440 59.340 1.100 17775 224 1 1 . 1 1 46 46 ARG CB C 321 29.770 29.770 30.156 -0.386 17775 225 1 1 . 1 1 46 46 ARG H H 321 8.000 8.000 7.811 0.189 17775 226 1 1 . 1 1 47 47 LEU N N 322 121.360 121.360 119.333 2.027 17775 227 1 1 . 1 1 47 47 LEU HA H 322 4.020 4.020 4.034 -0.014 17775 228 1 1 . 1 1 47 47 LEU C C 322 178.040 178.040 178.729 -0.689 17775 229 1 1 . 1 1 47 47 LEU CA C 322 58.550 58.550 58.001 0.549 17775 230 1 1 . 1 1 47 47 LEU CB C 322 41.650 41.650 41.512 0.138 17775 231 1 1 . 1 1 47 47 LEU H H 322 7.870 7.870 7.833 0.037 17775 232 1 1 . 1 1 48 48 ARG N N 323 121.390 121.390 119.328 2.062 17775 233 1 1 . 1 1 48 48 ARG HA H 323 3.690 3.690 3.925 -0.235 17775 234 1 1 . 1 1 48 48 ARG C C 323 178.120 178.120 178.302 -0.182 17775 235 1 1 . 1 1 48 48 ARG CA C 323 60.630 60.630 59.716 0.914 17775 236 1 1 . 1 1 48 48 ARG CB C 323 30.230 30.230 29.950 0.280 17775 237 1 1 . 1 1 48 48 ARG H H 323 8.730 8.730 7.847 0.883 17775 238 1 1 . 1 1 49 49 ARG N N 324 116.720 116.720 119.138 -2.418 17775 239 1 1 . 1 1 49 49 ARG HA H 324 3.840 3.840 3.998 -0.158 17775 240 1 1 . 1 1 49 49 ARG C C 324 179.060 179.060 178.412 0.648 17775 241 1 1 . 1 1 49 49 ARG CA C 324 59.930 59.930 59.800 0.130 17775 242 1 1 . 1 1 49 49 ARG CB C 324 29.830 29.830 30.124 -0.294 17775 243 1 1 . 1 1 49 49 ARG H H 324 8.550 8.550 7.976 0.574 17775 244 1 1 . 1 1 50 50 SER N N 325 117.600 117.600 116.115 1.485 17775 245 1 1 . 1 1 50 50 SER HA H 325 4.120 4.120 4.155 -0.035 17775 246 1 1 . 1 1 50 50 SER C C 325 176.050 176.050 176.614 -0.564 17775 247 1 1 . 1 1 50 50 SER CA C 325 62.630 62.630 62.108 0.522 17775 248 1 1 . 1 1 50 50 SER CB C 325 62.950 62.950 63.099 -0.148 17775 249 1 1 . 1 1 50 50 SER H H 325 8.170 8.170 7.685 0.485 17775 250 1 1 . 1 1 51 51 LEU N N 326 123.730 123.730 122.052 1.678 17775 251 1 1 . 1 1 51 51 LEU HA H 326 3.990 3.990 3.961 0.029 17775 252 1 1 . 1 1 51 51 LEU C C 326 177.380 177.380 178.445 -1.065 17775 253 1 1 . 1 1 51 51 LEU CA C 326 58.580 58.580 58.019 0.561 17775 254 1 1 . 1 1 51 51 LEU CB C 326 42.190 42.190 41.738 0.452 17775 255 1 1 . 1 1 51 51 LEU H H 326 8.190 8.190 7.778 0.412 17775 256 1 1 . 1 1 52 52 LYS N N 327 119.170 119.170 119.202 -0.032 17775 257 1 1 . 1 1 52 52 LYS HA H 327 3.860 3.860 3.874 -0.014 17775 258 1 1 . 1 1 52 52 LYS C C 327 179.050 179.050 178.968 0.082 17775 259 1 1 . 1 1 52 52 LYS CA C 327 59.700 59.700 59.659 0.041 17775 260 1 1 . 1 1 52 52 LYS CB C 327 32.020 32.020 32.176 -0.156 17775 261 1 1 . 1 1 52 52 LYS H H 327 8.580 8.580 7.948 0.632 17775 262 1 1 . 1 1 53 53 GLN N N 328 118.180 118.180 118.949 -0.769 17775 263 1 1 . 1 1 53 53 GLN HA H 328 4.080 4.080 4.046 0.034 17775 264 1 1 . 1 1 53 53 GLN C C 328 177.960 177.960 178.649 -0.689 17775 265 1 1 . 1 1 53 53 GLN CA C 328 58.690 58.690 59.126 -0.436 17775 266 1 1 . 1 1 53 53 GLN CB C 328 28.450 28.450 28.892 -0.442 17775 267 1 1 . 1 1 53 53 GLN H H 328 8.080 8.080 7.910 0.170 17775 268 1 1 . 1 1 54 54 LEU N N 329 118.740 118.740 119.618 -0.878 17775 269 1 1 . 1 1 54 54 LEU HA H 329 4.150 4.150 3.984 0.166 17775 270 1 1 . 1 1 54 54 LEU C C 329 179.580 179.580 178.743 0.837 17775 271 1 1 . 1 1 54 54 LEU CA C 329 58.080 58.080 57.820 0.260 17775 272 1 1 . 1 1 54 54 LEU CB C 329 42.620 42.620 41.755 0.865 17775 273 1 1 . 1 1 54 54 LEU H H 329 7.680 7.680 7.921 -0.241 17775 274 1 1 . 1 1 55 55 ALA N N 330 123.330 123.330 122.182 1.148 17775 275 1 1 . 1 1 55 55 ALA HA H 330 4.050 4.050 3.907 0.143 17775 276 1 1 . 1 1 55 55 ALA C C 330 180.530 180.530 179.423 1.107 17775 277 1 1 . 1 1 55 55 ALA CA C 330 55.630 55.630 55.495 0.136 17775 278 1 1 . 1 1 55 55 ALA CB C 330 18.320 18.320 17.978 0.342 17775 279 1 1 . 1 1 55 55 ALA H H 330 8.390 8.390 7.963 0.427 17775 280 1 1 . 1 1 56 56 ASP N N 331 121.350 121.350 119.163 2.187 17775 281 1 1 . 1 1 56 56 ASP HA H 331 4.420 4.420 4.387 0.033 17775 282 1 1 . 1 1 56 56 ASP C C 331 179.100 179.100 178.520 0.580 17775 283 1 1 . 1 1 56 56 ASP CA C 331 57.430 57.430 57.132 0.298 17775 284 1 1 . 1 1 56 56 ASP CB C 331 39.630 39.630 40.203 -0.573 17775 285 1 1 . 1 1 56 56 ASP H H 331 8.820 8.820 7.973 0.847 17775 286 1 1 . 1 1 57 57 ASP N N 332 121.570 121.570 120.628 0.942 17775 287 1 1 . 1 1 57 57 ASP HA H 332 4.490 4.490 4.375 0.115 17775 288 1 1 . 1 1 57 57 ASP C C 332 179.080 179.080 178.510 0.570 17775 289 1 1 . 1 1 57 57 ASP CA C 332 57.380 57.380 57.243 0.137 17775 290 1 1 . 1 1 57 57 ASP CB C 332 40.440 40.440 40.539 -0.099 17775 291 1 1 . 1 1 57 57 ASP H H 332 8.420 8.420 8.127 0.293 17775 292 1 1 . 1 1 58 58 ARG N N 333 120.250 120.250 119.713 0.537 17775 293 1 1 . 1 1 58 58 ARG HA H 333 3.940 3.940 3.980 -0.040 17775 294 1 1 . 1 1 58 58 ARG C C 333 177.770 177.770 178.686 -0.916 17775 295 1 1 . 1 1 58 58 ARG CA C 333 58.790 58.790 59.667 -0.877 17775 296 1 1 . 1 1 58 58 ARG CB C 333 30.300 30.300 30.422 -0.122 17775 297 1 1 . 1 1 58 58 ARG H H 333 7.900 7.900 7.835 0.065 17775 298 1 1 . 1 1 59 59 THR N N 334 115.160 115.160 114.527 0.633 17775 299 1 1 . 1 1 59 59 THR HA H 334 3.960 3.960 4.075 -0.115 17775 300 1 1 . 1 1 59 59 THR C C 334 176.690 176.690 176.592 0.098 17775 301 1 1 . 1 1 59 59 THR CA C 334 66.430 66.430 66.100 0.330 17775 302 1 1 . 1 1 59 59 THR CB C 334 68.720 68.720 68.271 0.449 17775 303 1 1 . 1 1 59 59 THR H H 334 7.940 7.940 7.697 0.243 17775 304 1 1 . 1 1 60 60 LEU N N 335 123.040 123.040 122.349 0.691 17775 305 1 1 . 1 1 60 60 LEU HA H 335 4.070 4.070 3.972 0.098 17775 306 1 1 . 1 1 60 60 LEU C C 335 180.040 180.040 179.123 0.917 17775 307 1 1 . 1 1 60 60 LEU CA C 335 57.690 57.690 57.610 0.080 17775 308 1 1 . 1 1 60 60 LEU CB C 335 41.810 41.810 41.677 0.133 17775 309 1 1 . 1 1 60 60 LEU H H 335 7.860 7.860 7.615 0.245 17775 310 1 1 . 1 1 61 61 LEU N N 336 121.600 121.600 120.203 1.397 17775 311 1 1 . 1 1 61 61 LEU HA H 336 4.020 4.020 3.872 0.148 17775 312 1 1 . 1 1 61 61 LEU C C 336 179.360 179.360 178.441 0.919 17775 313 1 1 . 1 1 61 61 LEU CA C 336 57.900 57.900 58.249 -0.349 17775 314 1 1 . 1 1 61 61 LEU CB C 336 41.970 41.970 41.852 0.118 17775 315 1 1 . 1 1 61 61 LEU H H 336 8.180 8.180 7.904 0.276 17775 316 1 1 . 1 1 62 62 MET N N 337 116.900 116.900 118.277 -1.377 17775 317 1 1 . 1 1 62 62 MET HA H 337 4.110 4.110 3.864 0.246 17775 318 1 1 . 1 1 62 62 MET C C 337 179.750 179.750 178.031 1.719 17775 319 1 1 . 1 1 62 62 MET CA C 337 57.850 57.850 59.003 -1.153 17775 320 1 1 . 1 1 62 62 MET CB C 337 32.200 32.200 32.449 -0.249 17775 321 1 1 . 1 1 62 62 MET H H 337 8.160 8.160 7.700 0.460 17775 322 1 1 . 1 1 63 63 ALA N N 338 122.990 122.990 120.162 2.828 17775 323 1 1 . 1 1 63 63 ALA HA H 338 4.110 4.110 4.009 0.101 17775 324 1 1 . 1 1 63 63 ALA C C 338 180.420 180.420 179.521 0.899 17775 325 1 1 . 1 1 63 63 ALA CA C 338 55.270 55.270 55.184 0.086 17775 326 1 1 . 1 1 63 63 ALA CB C 338 17.960 17.960 18.061 -0.102 17775 327 1 1 . 1 1 63 63 ALA H H 338 8.090 8.090 7.739 0.351 17775 328 1 1 . 1 1 64 64 GLY N N 339 106.980 106.980 106.893 0.087 17775 329 1 1 . 1 1 64 64 GLY C C 339 175.240 175.240 176.163 -0.923 17775 330 1 1 . 1 1 64 64 GLY CA C 339 47.190 47.190 47.238 -0.048 17775 331 1 1 . 1 1 64 64 GLY H H 339 8.070 8.070 7.920 0.150 17775 332 1 1 . 1 1 65 65 VAL N N 340 120.660 120.660 121.574 -0.914 17775 333 1 1 . 1 1 65 65 VAL HA H 340 3.780 3.780 3.640 0.140 17775 334 1 1 . 1 1 65 65 VAL C C 340 176.960 176.960 177.773 -0.813 17775 335 1 1 . 1 1 65 65 VAL CA C 340 65.620 65.620 65.918 -0.298 17775 336 1 1 . 1 1 65 65 VAL CB C 340 31.690 31.690 31.244 0.447 17775 337 1 1 . 1 1 65 65 VAL H H 340 8.100 8.100 7.578 0.522 17775 338 1 1 . 1 1 66 66 SER N N 341 112.150 112.150 115.138 -2.988 17775 339 1 1 . 1 1 66 66 SER HA H 341 4.000 4.000 3.986 0.014 17775 340 1 1 . 1 1 66 66 SER C C 341 175.860 175.860 176.682 -0.822 17775 341 1 1 . 1 1 66 66 SER CA C 341 61.240 61.240 61.601 -0.361 17775 342 1 1 . 1 1 66 66 SER CB C 341 63.260 63.260 63.054 0.206 17775 343 1 1 . 1 1 66 66 SER H H 341 7.810 7.810 7.640 0.170 17775 344 1 1 . 1 1 67 67 HIS N N 342 118.910 118.910 120.614 -1.704 17775 345 1 1 . 1 1 67 67 HIS HA H 342 4.440 4.440 4.231 0.209 17775 346 1 1 . 1 1 67 67 HIS C C 342 177.780 177.780 178.077 -0.297 17775 347 1 1 . 1 1 67 67 HIS CA C 342 59.160 59.160 60.161 -1.001 17775 348 1 1 . 1 1 67 67 HIS CB C 342 30.400 30.400 29.946 0.454 17775 349 1 1 . 1 1 67 67 HIS H H 342 7.830 7.830 7.858 -0.028 17775 350 1 1 . 1 1 68 68 ASP N N 343 120.590 120.590 120.253 0.337 17775 351 1 1 . 1 1 68 68 ASP HA H 343 4.440 4.440 4.399 0.041 17775 352 1 1 . 1 1 68 68 ASP C C 343 178.470 178.470 178.800 -0.330 17775 353 1 1 . 1 1 68 68 ASP CA C 343 57.500 57.500 57.401 0.099 17775 354 1 1 . 1 1 68 68 ASP CB C 343 39.880 39.880 40.418 -0.538 17775 355 1 1 . 1 1 68 68 ASP H H 343 8.580 8.580 7.904 0.676 17775 356 1 1 . 1 1 69 69 LEU N N 344 117.900 117.900 119.541 -1.641 17775 357 1 1 . 1 1 69 69 LEU HA H 344 4.190 4.190 3.943 0.247 17775 358 1 1 . 1 1 69 69 LEU C C 344 177.010 177.010 178.442 -1.432 17775 359 1 1 . 1 1 69 69 LEU CA C 344 56.810 56.810 57.550 -0.740 17775 360 1 1 . 1 1 69 69 LEU CB C 344 43.300 43.300 41.475 1.825 17775 361 1 1 . 1 1 69 69 LEU H H 344 8.300 8.300 7.879 0.421 17775 362 1 1 . 1 1 70 70 ARG N N 345 114.380 114.380 118.360 -3.980 17775 363 1 1 . 1 1 70 70 ARG HA H 345 3.930 3.930 3.920 0.010 17775 364 1 1 . 1 1 70 70 ARG C C 345 178.840 178.840 178.437 0.403 17775 365 1 1 . 1 1 70 70 ARG CA C 345 59.420 59.420 59.615 -0.195 17775 366 1 1 . 1 1 70 70 ARG CB C 345 30.210 30.210 29.817 0.393 17775 367 1 1 . 1 1 70 70 ARG H H 345 7.280 7.280 7.681 -0.401 17775 368 1 1 . 1 1 71 71 THR N N 346 115.370 115.370 115.057 0.313 17775 369 1 1 . 1 1 71 71 THR HA H 346 4.060 4.060 4.175 -0.115 17775 370 1 1 . 1 1 71 71 THR CA C 346 68.800 68.800 68.394 0.406 17775 371 1 1 . 1 1 71 71 THR CB C 346 66.590 66.590 66.377 0.213 17775 372 1 1 . 1 1 71 71 THR H H 346 7.540 7.540 7.680 -0.140 17775 373 1 1 . 1 1 72 72 PRO HA H 347 4.090 4.090 4.248 -0.158 17775 374 1 1 . 1 1 72 72 PRO CA C 347 65.860 65.860 65.823 0.037 17775 375 1 1 . 1 1 72 72 PRO CB C 347 31.380 31.380 31.243 0.137 17775 376 1 1 . 1 1 73 73 LEU N N 348 114.830 114.830 118.994 -4.164 17775 377 1 1 . 1 1 73 73 LEU HA H 348 3.950 3.950 3.909 0.041 17775 378 1 1 . 1 1 73 73 LEU C C 348 179.120 179.120 179.378 -0.258 17775 379 1 1 . 1 1 73 73 LEU CA C 348 58.450 58.450 58.117 0.333 17775 380 1 1 . 1 1 73 73 LEU CB C 348 41.320 41.320 41.634 -0.314 17775 381 1 1 . 1 1 73 73 LEU H H 348 6.970 6.970 7.672 -0.702 17775 382 1 1 . 1 1 74 74 THR N N 349 116.230 116.230 114.455 1.775 17775 383 1 1 . 1 1 74 74 THR HA H 349 3.880 3.880 3.948 -0.068 17775 384 1 1 . 1 1 74 74 THR C C 349 176.100 176.100 176.999 -0.899 17775 385 1 1 . 1 1 74 74 THR CA C 349 66.760 66.760 66.192 0.568 17775 386 1 1 . 1 1 74 74 THR CB C 349 68.770 68.770 68.195 0.575 17775 387 1 1 . 1 1 74 74 THR H H 349 8.090 8.090 7.827 0.263 17775 388 1 1 . 1 1 75 75 ARG N N 350 121.190 121.190 121.143 0.047 17775 389 1 1 . 1 1 75 75 ARG HA H 350 3.970 3.970 4.084 -0.114 17775 390 1 1 . 1 1 75 75 ARG C C 350 180.130 180.130 178.672 1.458 17775 391 1 1 . 1 1 75 75 ARG CA C 350 61.030 61.030 58.929 2.101 17775 392 1 1 . 1 1 75 75 ARG CB C 350 31.080 31.080 29.678 1.402 17775 393 1 1 . 1 1 75 75 ARG H H 350 7.570 7.570 7.629 -0.059 17775 394 1 1 . 1 1 76 76 ILE N N 351 122.150 122.150 119.788 2.362 17775 395 1 1 . 1 1 76 76 ILE HA H 351 3.700 3.700 3.690 0.010 17775 396 1 1 . 1 1 76 76 ILE C C 351 177.070 177.070 177.874 -0.804 17775 397 1 1 . 1 1 76 76 ILE CA C 351 65.560 65.560 65.033 0.527 17775 398 1 1 . 1 1 76 76 ILE CB C 351 37.650 37.650 37.420 0.230 17775 399 1 1 . 1 1 76 76 ILE H H 351 8.060 8.060 7.854 0.206 17775 400 1 1 . 1 1 77 77 ARG N N 352 120.120 120.120 120.670 -0.550 17775 401 1 1 . 1 1 77 77 ARG HA H 352 3.930 3.930 4.016 -0.086 17775 402 1 1 . 1 1 77 77 ARG C C 352 179.580 179.580 178.844 0.736 17775 403 1 1 . 1 1 77 77 ARG CA C 352 59.340 59.340 59.498 -0.158 17775 404 1 1 . 1 1 77 77 ARG CB C 352 29.690 29.690 30.266 -0.576 17775 405 1 1 . 1 1 77 77 ARG H H 352 7.700 7.700 7.565 0.135 17775 406 1 1 . 1 1 78 78 LEU N N 353 119.970 119.970 118.793 1.177 17775 407 1 1 . 1 1 78 78 LEU HA H 353 4.000 4.000 4.272 -0.272 17775 408 1 1 . 1 1 78 78 LEU C C 353 179.600 179.600 179.050 0.550 17775 409 1 1 . 1 1 78 78 LEU CA C 353 57.910 57.910 58.128 -0.218 17775 410 1 1 . 1 1 78 78 LEU CB C 353 41.430 41.430 41.856 -0.426 17775 411 1 1 . 1 1 78 78 LEU H H 353 8.260 8.260 7.722 0.538 17775 412 1 1 . 1 1 79 79 ALA N N 354 122.390 122.390 120.520 1.870 17775 413 1 1 . 1 1 79 79 ALA HA H 354 4.070 4.070 4.085 -0.015 17775 414 1 1 . 1 1 79 79 ALA C C 354 180.620 180.620 180.057 0.563 17775 415 1 1 . 1 1 79 79 ALA CA C 354 55.270 55.270 54.822 0.449 17775 416 1 1 . 1 1 79 79 ALA CB C 354 18.030 18.030 18.577 -0.547 17775 417 1 1 . 1 1 79 79 ALA H H 354 7.850 7.850 7.778 0.072 17775 418 1 1 . 1 1 80 80 THR N N 355 107.540 107.540 110.433 -2.893 17775 419 1 1 . 1 1 80 80 THR HA H 355 3.990 3.990 4.041 -0.051 17775 420 1 1 . 1 1 80 80 THR C C 355 177.250 177.250 176.475 0.775 17775 421 1 1 . 1 1 80 80 THR CA C 355 64.970 64.970 64.841 0.129 17775 422 1 1 . 1 1 80 80 THR CB C 355 69.020 69.020 68.634 0.386 17775 423 1 1 . 1 1 80 80 THR H H 355 7.930 7.930 7.942 -0.012 17775 424 1 1 . 1 1 81 81 GLU N N 356 120.380 120.380 119.510 0.870 17775 425 1 1 . 1 1 81 81 GLU HA H 356 4.090 4.090 4.234 -0.144 17775 426 1 1 . 1 1 81 81 GLU C C 356 177.280 177.280 177.478 -0.198 17775 427 1 1 . 1 1 81 81 GLU CA C 356 58.020 58.020 58.111 -0.091 17775 428 1 1 . 1 1 81 81 GLU CB C 356 29.490 29.490 29.464 0.026 17775 429 1 1 . 1 1 81 81 GLU H H 356 7.380 7.380 7.589 -0.209 17775 430 1 1 . 1 1 82 82 MET N N 357 115.510 115.510 116.726 -1.216 17775 431 1 1 . 1 1 82 82 MET HA H 357 4.480 4.480 4.311 0.169 17775 432 1 1 . 1 1 82 82 MET C C 357 176.140 176.140 176.487 -0.347 17775 433 1 1 . 1 1 82 82 MET CA C 357 54.810 54.810 56.003 -1.193 17775 434 1 1 . 1 1 82 82 MET CB C 357 32.660 32.660 33.461 -0.800 17775 435 1 1 . 1 1 82 82 MET H H 357 7.480 7.480 7.381 0.099 17775 436 1 1 . 1 1 83 83 MET N N 358 119.530 119.530 119.533 -0.003 17775 437 1 1 . 1 1 83 83 MET HA H 358 4.020 4.020 4.272 -0.252 17775 438 1 1 . 1 1 83 83 MET C C 358 175.670 175.670 175.812 -0.142 17775 439 1 1 . 1 1 83 83 MET CA C 358 57.430 57.430 55.782 1.648 17775 440 1 1 . 1 1 83 83 MET CB C 358 33.860 33.860 33.077 0.783 17775 441 1 1 . 1 1 83 83 MET H H 358 7.010 7.010 7.544 -0.534 17775 442 1 1 . 1 1 84 84 SER N N 359 119.110 119.110 118.094 1.016 17775 443 1 1 . 1 1 84 84 SER HA H 359 4.300 4.300 4.598 -0.298 17775 444 1 1 . 1 1 84 84 SER C C 359 176.160 176.160 175.705 0.455 17775 445 1 1 . 1 1 84 84 SER CA C 359 59.170 59.170 57.404 1.766 17775 446 1 1 . 1 1 84 84 SER CB C 359 64.540 64.540 63.989 0.551 17775 447 1 1 . 1 1 84 84 SER H H 359 9.630 9.630 8.177 1.453 17775 448 1 1 . 1 1 85 85 GLU N N 360 124.090 124.090 121.638 2.452 17775 449 1 1 . 1 1 85 85 GLU CA C 360 58.880 58.880 58.860 0.020 17775 450 1 1 . 1 1 85 85 GLU CB C 360 29.560 29.560 29.458 0.102 17775 451 1 1 . 1 1 85 85 GLU H H 360 8.810 8.810 9.011 -0.201 17775 452 1 1 . 1 1 86 86 GLN HA H 361 4.220 4.220 4.177 0.043 17775 453 1 1 . 1 1 86 86 GLN C C 361 176.370 176.370 177.065 -0.695 17775 454 1 1 . 1 1 86 86 GLN CA C 361 58.440 58.440 57.982 0.458 17775 455 1 1 . 1 1 86 86 GLN CB C 361 28.290 28.290 28.777 -0.487 17775 456 1 1 . 1 1 87 87 ASP N N 362 118.700 118.700 118.207 0.493 17775 457 1 1 . 1 1 87 87 ASP HA H 362 5.070 5.070 4.515 0.555 17775 458 1 1 . 1 1 87 87 ASP C C 362 176.740 176.740 176.227 0.513 17775 459 1 1 . 1 1 87 87 ASP CA C 362 53.710 53.710 52.915 0.795 17775 460 1 1 . 1 1 87 87 ASP CB C 362 40.980 40.980 40.639 0.341 17775 461 1 1 . 1 1 87 87 ASP H H 362 7.640 7.640 7.514 0.126 17775 462 1 1 . 1 1 88 88 GLY N N 363 110.410 110.410 109.048 1.362 17775 463 1 1 . 1 1 88 88 GLY CA C 363 47.890 47.890 47.464 0.426 17775 464 1 1 . 1 1 88 88 GLY H H 363 7.940 7.940 7.942 -0.002 17775 465 1 1 . 1 1 89 89 TYR HA H 364 4.430 4.430 4.233 0.197 17775 466 1 1 . 1 1 89 89 TYR C C 364 177.600 177.600 177.315 0.285 17775 467 1 1 . 1 1 89 89 TYR CA C 364 59.970 59.970 58.915 1.055 17775 468 1 1 . 1 1 89 89 TYR CB C 364 37.100 37.100 37.132 -0.032 17775 469 1 1 . 1 1 89 89 TYR H H 364 8.470 8.470 8.120 0.350 17775 470 1 1 . 1 1 90 90 LEU N N 365 124.000 124.000 119.841 4.159 17775 471 1 1 . 1 1 90 90 LEU HA H 365 3.920 3.920 4.067 -0.147 17775 472 1 1 . 1 1 90 90 LEU C C 365 178.180 178.180 178.768 -0.588 17775 473 1 1 . 1 1 90 90 LEU CA C 365 57.050 57.050 56.407 0.643 17775 474 1 1 . 1 1 90 90 LEU CB C 365 41.930 41.930 41.614 0.316 17775 475 1 1 . 1 1 90 90 LEU H H 365 7.080 7.080 6.667 0.413 17775 476 1 1 . 1 1 91 91 ALA N N 366 123.150 123.150 122.267 0.883 17775 477 1 1 . 1 1 91 91 ALA HA H 366 3.790 3.790 3.983 -0.193 17775 478 1 1 . 1 1 91 91 ALA C C 366 179.610 179.610 179.528 0.082 17775 479 1 1 . 1 1 91 91 ALA CA C 366 55.910 55.910 54.834 1.075 17775 480 1 1 . 1 1 91 91 ALA CB C 366 18.450 18.450 18.273 0.177 17775 481 1 1 . 1 1 91 91 ALA H H 366 7.880 7.880 7.514 0.366 17775 482 1 1 . 1 1 92 92 GLU N N 367 116.750 116.750 118.034 -1.284 17775 483 1 1 . 1 1 92 92 GLU HA H 367 4.010 4.010 3.878 0.132 17775 484 1 1 . 1 1 92 92 GLU C C 367 177.910 177.910 179.002 -1.092 17775 485 1 1 . 1 1 92 92 GLU CA C 367 59.420 59.420 59.841 -0.421 17775 486 1 1 . 1 1 92 92 GLU CB C 367 29.620 29.620 29.677 -0.057 17775 487 1 1 . 1 1 92 92 GLU H H 367 8.100 8.100 8.205 -0.105 17775 488 1 1 . 1 1 93 93 SER N N 368 115.480 115.480 114.405 1.075 17775 489 1 1 . 1 1 93 93 SER HA H 368 4.060 4.060 4.234 -0.174 17775 490 1 1 . 1 1 93 93 SER C C 368 176.360 176.360 176.474 -0.114 17775 491 1 1 . 1 1 93 93 SER CA C 368 61.610 61.610 61.411 0.199 17775 492 1 1 . 1 1 93 93 SER CB C 368 63.080 63.080 62.872 0.208 17775 493 1 1 . 1 1 93 93 SER H H 368 7.520 7.520 7.564 -0.044 17775 494 1 1 . 1 1 94 94 ILE N N 369 121.710 121.710 123.009 -1.299 17775 495 1 1 . 1 1 94 94 ILE HA H 369 4.000 4.000 3.986 0.014 17775 496 1 1 . 1 1 94 94 ILE C C 369 178.000 178.000 178.093 -0.093 17775 497 1 1 . 1 1 94 94 ILE CA C 369 65.470 65.470 64.632 0.838 17775 498 1 1 . 1 1 94 94 ILE CB C 369 38.030 38.030 37.509 0.521 17775 499 1 1 . 1 1 94 94 ILE H H 369 8.400 8.400 7.360 1.040 17775 500 1 1 . 1 1 95 95 ASN N N 370 117.810 117.810 118.434 -0.624 17775 501 1 1 . 1 1 95 95 ASN HA H 370 4.290 4.290 4.393 -0.103 17775 502 1 1 . 1 1 95 95 ASN C C 370 179.730 179.730 177.254 2.476 17775 503 1 1 . 1 1 95 95 ASN CA C 370 57.340 57.340 56.895 0.445 17775 504 1 1 . 1 1 95 95 ASN CB C 370 38.280 38.280 38.131 0.149 17775 505 1 1 . 1 1 95 95 ASN H H 370 8.270 8.270 8.087 0.183 17775 506 1 1 . 1 1 96 96 LYS N N 371 121.220 121.220 120.483 0.737 17775 507 1 1 . 1 1 96 96 LYS HA H 371 4.090 4.090 3.956 0.134 17775 508 1 1 . 1 1 96 96 LYS C C 371 179.250 179.250 178.531 0.719 17775 509 1 1 . 1 1 96 96 LYS CA C 371 59.650 59.650 59.676 -0.026 17775 510 1 1 . 1 1 96 96 LYS CB C 371 31.730 31.730 32.386 -0.656 17775 511 1 1 . 1 1 96 96 LYS H H 371 7.960 7.960 7.868 0.092 17775 512 1 1 . 1 1 97 97 ASP N N 372 122.870 122.870 119.565 3.305 17775 513 1 1 . 1 1 97 97 ASP HA H 372 4.060 4.060 4.407 -0.347 17775 514 1 1 . 1 1 97 97 ASP C C 372 179.300 179.300 178.825 0.475 17775 515 1 1 . 1 1 97 97 ASP CA C 372 58.400 58.400 57.469 0.931 17775 516 1 1 . 1 1 97 97 ASP CB C 372 41.130 41.130 40.672 0.458 17775 517 1 1 . 1 1 97 97 ASP H H 372 7.920 7.920 7.727 0.193 17775 518 1 1 . 1 1 98 98 ILE N N 373 123.090 123.090 116.477 6.613 17775 519 1 1 . 1 1 98 98 ILE HA H 373 3.620 3.620 3.719 -0.099 17775 520 1 1 . 1 1 98 98 ILE C C 373 178.330 178.330 177.679 0.651 17775 521 1 1 . 1 1 98 98 ILE CA C 373 65.080 65.080 65.004 0.076 17775 522 1 1 . 1 1 98 98 ILE CB C 373 37.260 37.260 37.322 -0.062 17775 523 1 1 . 1 1 98 98 ILE H H 373 8.720 8.720 7.624 1.096 17775 524 1 1 . 1 1 99 99 GLU N N 374 120.550 120.550 120.623 -0.073 17775 525 1 1 . 1 1 99 99 GLU HA H 374 4.120 4.120 3.905 0.215 17775 526 1 1 . 1 1 99 99 GLU C C 374 179.740 179.740 178.893 0.847 17775 527 1 1 . 1 1 99 99 GLU CA C 374 59.570 59.570 59.718 -0.148 17775 528 1 1 . 1 1 99 99 GLU CB C 374 28.910 28.910 29.096 -0.186 17775 529 1 1 . 1 1 99 99 GLU H H 374 8.100 8.100 7.930 0.170 17775 530 1 1 . 1 1 100 100 GLU N N 375 122.040 122.040 120.061 1.979 17775 531 1 1 . 1 1 100 100 GLU HA H 375 4.140 4.140 4.036 0.104 17775 532 1 1 . 1 1 100 100 GLU C C 375 178.810 178.810 178.919 -0.109 17775 533 1 1 . 1 1 100 100 GLU CA C 375 59.830 59.830 59.292 0.538 17775 534 1 1 . 1 1 100 100 GLU CB C 375 29.220 29.220 29.700 -0.480 17775 535 1 1 . 1 1 100 100 GLU H H 375 8.060 8.060 7.736 0.324 17775 536 1 1 . 1 1 101 101 CYS N N 376 117.330 117.330 117.475 -0.145 17775 537 1 1 . 1 1 101 101 CYS HA H 376 3.960 3.960 4.129 -0.169 17775 538 1 1 . 1 1 101 101 CYS C C 376 176.540 176.540 176.905 -0.365 17775 539 1 1 . 1 1 101 101 CYS CA C 376 64.510 64.510 63.190 1.320 17775 540 1 1 . 1 1 101 101 CYS CB C 376 27.270 27.270 26.298 0.972 17775 541 1 1 . 1 1 101 101 CYS H H 376 8.130 8.130 7.944 0.186 17775 542 1 1 . 1 1 102 102 ASN N N 377 117.140 117.140 118.190 -1.050 17775 543 1 1 . 1 1 102 102 ASN HA H 377 4.290 4.290 4.328 -0.038 17775 544 1 1 . 1 1 102 102 ASN C C 377 176.980 176.980 177.149 -0.169 17775 545 1 1 . 1 1 102 102 ASN CA C 377 56.460 56.460 56.798 -0.338 17775 546 1 1 . 1 1 102 102 ASN CB C 377 38.440 38.440 38.621 -0.181 17775 547 1 1 . 1 1 102 102 ASN H H 377 8.430 8.430 7.884 0.546 17775 548 1 1 . 1 1 103 103 ALA N N 378 123.350 123.350 122.993 0.357 17775 549 1 1 . 1 1 103 103 ALA HA H 378 4.130 4.130 4.061 0.069 17775 550 1 1 . 1 1 103 103 ALA C C 378 180.510 180.510 179.637 0.873 17775 551 1 1 . 1 1 103 103 ALA CA C 378 55.120 55.120 55.127 -0.007 17775 552 1 1 . 1 1 103 103 ALA CB C 378 17.960 17.960 18.556 -0.596 17775 553 1 1 . 1 1 103 103 ALA H H 378 8.130 8.130 7.787 0.343 17775 554 1 1 . 1 1 104 104 ILE N N 379 120.880 120.880 119.328 1.552 17775 555 1 1 . 1 1 104 104 ILE HA H 379 3.680 3.680 3.694 -0.014 17775 556 1 1 . 1 1 104 104 ILE C C 379 178.260 178.260 178.512 -0.252 17775 557 1 1 . 1 1 104 104 ILE CA C 379 64.860 64.860 65.664 -0.804 17775 558 1 1 . 1 1 104 104 ILE CB C 379 38.080 38.080 38.043 0.037 17775 559 1 1 . 1 1 104 104 ILE H H 379 8.010 8.010 7.622 0.388 17775 560 1 1 . 1 1 105 105 ILE N N 380 119.970 119.970 119.696 0.274 17775 561 1 1 . 1 1 105 105 ILE HA H 380 3.430 3.430 3.729 -0.299 17775 562 1 1 . 1 1 105 105 ILE C C 380 177.660 177.660 177.996 -0.336 17775 563 1 1 . 1 1 105 105 ILE CA C 380 65.490 65.490 65.945 -0.455 17775 564 1 1 . 1 1 105 105 ILE CB C 380 38.060 38.060 37.614 0.446 17775 565 1 1 . 1 1 105 105 ILE H H 380 8.060 8.060 7.674 0.386 17775 566 1 1 . 1 1 106 106 GLU N N 381 118.640 118.640 120.100 -1.460 17775 567 1 1 . 1 1 106 106 GLU HA H 381 3.970 3.970 3.890 0.080 17775 568 1 1 . 1 1 106 106 GLU C C 381 178.440 178.440 178.762 -0.322 17775 569 1 1 . 1 1 106 106 GLU CA C 381 59.260 59.260 59.739 -0.479 17775 570 1 1 . 1 1 106 106 GLU CB C 381 29.570 29.570 29.559 0.011 17775 571 1 1 . 1 1 106 106 GLU H H 381 8.140 8.140 8.036 0.104 17775 572 1 1 . 1 1 107 107 GLN N N 382 117.770 117.770 119.129 -1.359 17775 573 1 1 . 1 1 107 107 GLN HA H 382 4.040 4.040 4.026 0.014 17775 574 1 1 . 1 1 107 107 GLN C C 382 177.550 177.550 178.492 -0.942 17775 575 1 1 . 1 1 107 107 GLN CA C 382 58.170 58.170 59.028 -0.858 17775 576 1 1 . 1 1 107 107 GLN CB C 382 28.770 28.770 28.524 0.246 17775 577 1 1 . 1 1 107 107 GLN H H 382 7.710 7.710 7.867 -0.157 17775 578 1 1 . 1 1 108 108 PHE N N 383 118.750 118.750 119.021 -0.271 17775 579 1 1 . 1 1 108 108 PHE HA H 383 4.490 4.490 4.188 0.302 17775 580 1 1 . 1 1 108 108 PHE C C 383 176.570 176.570 178.199 -1.629 17775 581 1 1 . 1 1 108 108 PHE CA C 383 59.360 59.360 62.530 -3.170 17775 582 1 1 . 1 1 108 108 PHE CB C 383 38.760 38.760 38.862 -0.102 17775 583 1 1 . 1 1 108 108 PHE H H 383 7.880 7.880 7.796 0.084 17775 584 1 1 . 1 1 109 109 ILE N N 384 118.200 118.200 120.151 -1.951 17775 585 1 1 . 1 1 109 109 ILE HA H 384 3.720 3.720 3.839 -0.119 17775 586 1 1 . 1 1 109 109 ILE C C 384 177.450 177.450 178.006 -0.556 17775 587 1 1 . 1 1 109 109 ILE CA C 384 64.280 64.280 64.936 -0.656 17775 588 1 1 . 1 1 109 109 ILE CB C 384 37.870 37.870 37.849 0.021 17775 589 1 1 . 1 1 109 109 ILE H H 384 7.950 7.950 7.803 0.147 17775 590 1 1 . 1 1 110 110 ASP N N 385 119.750 119.750 119.797 -0.047 17775 591 1 1 . 1 1 110 110 ASP HA H 385 4.440 4.440 4.371 0.069 17775 592 1 1 . 1 1 110 110 ASP C C 385 177.620 177.620 178.394 -0.774 17775 593 1 1 . 1 1 110 110 ASP CA C 385 56.500 56.500 57.346 -0.846 17775 594 1 1 . 1 1 110 110 ASP CB C 385 40.860 40.860 40.650 0.210 17775 595 1 1 . 1 1 110 110 ASP H H 385 7.840 7.840 8.106 -0.266 17775 596 1 1 . 1 1 111 111 TYR N N 386 118.370 118.370 118.812 -0.442 17775 597 1 1 . 1 1 111 111 TYR HA H 386 4.430 4.430 4.338 0.092 17775 598 1 1 . 1 1 111 111 TYR C C 386 176.320 176.320 176.269 0.051 17775 599 1 1 . 1 1 111 111 TYR CA C 386 58.940 58.940 60.847 -1.907 17775 600 1 1 . 1 1 111 111 TYR CB C 386 38.440 38.440 39.581 -1.141 17775 601 1 1 . 1 1 111 111 TYR H H 386 7.760 7.760 7.853 -0.093 17775 602 1 1 . 1 1 112 112 LEU N N 387 119.730 119.730 119.371 0.359 17775 603 1 1 . 1 1 112 112 LEU HA H 387 4.230 4.230 4.688 -0.458 17775 604 1 1 . 1 1 112 112 LEU C C 387 175.900 175.900 175.353 0.547 17775 605 1 1 . 1 1 112 112 LEU CA C 387 55.090 55.090 53.733 1.357 17775 606 1 1 . 1 1 112 112 LEU CB C 387 42.670 42.670 42.772 -0.102 17775 607 1 1 . 1 1 112 112 LEU H H 387 7.660 7.660 7.805 -0.145 17775 608 1 2 . 1 1 5 5 ILE HA H 280 4.190 4.190 3.864 0.326 17775 609 1 2 . 1 1 5 5 ILE CA C 280 61.650 61.650 63.067 -1.417 17775 610 1 2 . 1 1 5 5 ILE CB C 280 38.520 38.520 36.663 1.857 17775 611 1 2 . 1 1 6 6 THR HA H 281 4.340 4.340 3.974 0.366 17775 612 1 2 . 1 1 6 6 THR CA C 281 62.680 62.680 66.624 -3.944 17775 613 1 2 . 1 1 6 6 THR CB C 281 69.630 69.630 68.423 1.207 17775 614 1 2 . 1 1 8 8 PRO HA H 283 4.230 4.230 4.444 -0.214 17775 615 1 2 . 1 1 8 8 PRO CA C 283 65.940 65.940 65.786 0.154 17775 616 1 2 . 1 1 8 8 PRO CB C 283 30.730 30.730 30.862 -0.132 17775 617 1 2 . 1 1 9 9 ILE N N 284 115.670 115.670 118.815 -3.145 17775 618 1 2 . 1 1 9 9 ILE HA H 284 3.420 3.420 3.852 -0.432 17775 619 1 2 . 1 1 9 9 ILE C C 284 177.820 177.820 178.300 -0.480 17775 620 1 2 . 1 1 9 9 ILE CA C 284 65.540 65.540 63.746 1.794 17775 621 1 2 . 1 1 9 9 ILE CB C 284 36.810 36.810 36.865 -0.055 17775 622 1 2 . 1 1 9 9 ILE H H 284 7.300 7.300 7.100 0.200 17775 623 1 2 . 1 1 10 10 ILE N N 285 121.880 121.880 120.818 1.062 17775 624 1 2 . 1 1 10 10 ILE HA H 285 3.800 3.800 3.828 -0.028 17775 625 1 2 . 1 1 10 10 ILE C C 285 177.690 177.690 178.995 -1.305 17775 626 1 2 . 1 1 10 10 ILE CA C 285 62.880 62.880 63.189 -0.309 17775 627 1 2 . 1 1 10 10 ILE CB C 285 36.560 36.560 36.328 0.232 17775 628 1 2 . 1 1 10 10 ILE H H 285 7.880 7.880 7.706 0.174 17775 629 1 2 . 1 1 11 11 GLU N N 286 120.580 120.580 120.369 0.211 17775 630 1 2 . 1 1 11 11 GLU HA H 286 4.080 4.080 4.058 0.022 17775 631 1 2 . 1 1 11 11 GLU C C 286 180.980 180.980 179.548 1.432 17775 632 1 2 . 1 1 11 11 GLU CA C 286 59.630 59.630 59.846 -0.216 17775 633 1 2 . 1 1 11 11 GLU CB C 286 29.550 29.550 29.580 -0.030 17775 634 1 2 . 1 1 11 11 GLU H H 286 8.450 8.450 7.875 0.575 17775 635 1 2 . 1 1 12 12 LEU N N 287 121.340 121.340 119.522 1.818 17775 636 1 2 . 1 1 12 12 LEU HA H 287 4.010 4.010 4.060 -0.050 17775 637 1 2 . 1 1 12 12 LEU C C 287 178.030 178.030 179.015 -0.985 17775 638 1 2 . 1 1 12 12 LEU CA C 287 58.310 58.310 58.106 0.204 17775 639 1 2 . 1 1 12 12 LEU CB C 287 42.050 42.050 41.956 0.094 17775 640 1 2 . 1 1 12 12 LEU H H 287 8.490 8.490 8.006 0.484 17775 641 1 2 . 1 1 13 13 SER N N 288 117.590 117.590 115.050 2.540 17775 642 1 2 . 1 1 13 13 SER HA H 288 4.190 4.190 4.064 0.126 17775 643 1 2 . 1 1 13 13 SER C C 288 175.660 175.660 176.759 -1.099 17775 644 1 2 . 1 1 13 13 SER CA C 288 61.670 61.670 61.853 -0.183 17775 645 1 2 . 1 1 13 13 SER CB C 288 62.490 62.490 62.956 -0.466 17775 646 1 2 . 1 1 13 13 SER H H 288 8.330 8.330 8.235 0.095 17775 647 1 2 . 1 1 14 14 ASN N N 289 119.150 119.150 120.494 -1.344 17775 648 1 2 . 1 1 14 14 ASN HA H 289 4.450 4.450 4.533 -0.083 17775 649 1 2 . 1 1 14 14 ASN C C 289 178.480 178.480 177.889 0.591 17775 650 1 2 . 1 1 14 14 ASN CA C 289 55.870 55.870 56.193 -0.323 17775 651 1 2 . 1 1 14 14 ASN CB C 289 38.090 38.090 38.315 -0.225 17775 652 1 2 . 1 1 14 14 ASN H H 289 8.650 8.650 8.282 0.368 17775 653 1 2 . 1 1 15 15 THR N N 290 117.650 117.650 117.148 0.502 17775 654 1 2 . 1 1 15 15 THR HA H 290 3.830 3.830 3.963 -0.133 17775 655 1 2 . 1 1 15 15 THR C C 290 175.030 175.030 176.026 -0.996 17775 656 1 2 . 1 1 15 15 THR CA C 290 67.790 67.790 67.091 0.699 17775 657 1 2 . 1 1 15 15 THR CB C 290 68.660 68.660 68.745 -0.085 17775 658 1 2 . 1 1 15 15 THR H H 290 8.040 8.040 8.018 0.022 17775 659 1 2 . 1 1 16 16 ALA N N 291 124.470 124.470 124.394 0.076 17775 660 1 2 . 1 1 16 16 ALA HA H 291 3.850 3.850 3.940 -0.090 17775 661 1 2 . 1 1 16 16 ALA C C 291 178.470 178.470 179.228 -0.758 17775 662 1 2 . 1 1 16 16 ALA CA C 291 55.430 55.430 55.206 0.224 17775 663 1 2 . 1 1 16 16 ALA CB C 291 17.820 17.820 18.239 -0.419 17775 664 1 2 . 1 1 16 16 ALA H H 291 8.530 8.530 7.893 0.637 17775 665 1 2 . 1 1 17 17 ASP N N 292 117.560 117.560 119.070 -1.510 17775 666 1 2 . 1 1 17 17 ASP HA H 292 4.360 4.360 4.339 0.021 17775 667 1 2 . 1 1 17 17 ASP C C 292 178.420 178.420 178.797 -0.377 17775 668 1 2 . 1 1 17 17 ASP CA C 292 57.430 57.430 57.670 -0.240 17775 669 1 2 . 1 1 17 17 ASP CB C 292 40.130 40.130 40.354 -0.224 17775 670 1 2 . 1 1 17 17 ASP H H 292 8.290 8.290 7.999 0.291 17775 671 1 2 . 1 1 18 18 LYS N N 293 119.100 119.100 120.072 -0.972 17775 672 1 2 . 1 1 18 18 LYS HA H 293 4.010 4.010 4.302 -0.292 17775 673 1 2 . 1 1 18 18 LYS C C 293 180.170 180.170 179.006 1.164 17775 674 1 2 . 1 1 18 18 LYS CA C 293 59.020 59.020 59.240 -0.220 17775 675 1 2 . 1 1 18 18 LYS CB C 293 32.270 32.270 32.513 -0.243 17775 676 1 2 . 1 1 18 18 LYS H H 293 7.690 7.690 7.546 0.144 17775 677 1 2 . 1 1 19 19 ILE N N 294 122.510 122.510 119.817 2.693 17775 678 1 2 . 1 1 19 19 ILE HA H 294 3.690 3.690 4.040 -0.350 17775 679 1 2 . 1 1 19 19 ILE C C 294 178.920 178.920 178.711 0.209 17775 680 1 2 . 1 1 19 19 ILE CA C 294 64.400 64.400 64.823 -0.423 17775 681 1 2 . 1 1 19 19 ILE CB C 294 38.320 38.320 37.901 0.419 17775 682 1 2 . 1 1 19 19 ILE H H 294 8.220 8.220 7.718 0.502 17775 683 1 2 . 1 1 20 20 ALA N N 295 123.270 123.270 122.195 1.075 17775 684 1 2 . 1 1 20 20 ALA HA H 295 3.850 3.850 4.068 -0.218 17775 685 1 2 . 1 1 20 20 ALA C C 295 179.390 179.390 178.976 0.414 17775 686 1 2 . 1 1 20 20 ALA CA C 295 55.370 55.370 54.846 0.524 17775 687 1 2 . 1 1 20 20 ALA CB C 295 17.880 17.880 18.345 -0.465 17775 688 1 2 . 1 1 20 20 ALA H H 295 8.580 8.580 7.842 0.738 17775 689 1 2 . 1 1 21 21 GLU N N 296 115.530 115.530 116.405 -0.875 17775 690 1 2 . 1 1 21 21 GLU HA H 296 4.160 4.160 4.182 -0.022 17775 691 1 2 . 1 1 21 21 GLU C C 296 176.560 176.560 177.695 -1.135 17775 692 1 2 . 1 1 21 21 GLU CA C 296 56.400 56.400 56.419 -0.019 17775 693 1 2 . 1 1 21 21 GLU CB C 296 29.830 29.830 29.755 0.075 17775 694 1 2 . 1 1 21 21 GLU H H 296 7.680 7.680 7.768 -0.088 17775 695 1 2 . 1 1 22 22 GLY N N 297 105.910 105.910 107.722 -1.812 17775 696 1 2 . 1 1 22 22 GLY C C 297 174.160 174.160 174.356 -0.196 17775 697 1 2 . 1 1 22 22 GLY CA C 297 45.040 45.040 44.644 0.396 17775 698 1 2 . 1 1 22 22 GLY H H 297 7.820 7.820 7.981 -0.161 17775 699 1 2 . 1 1 23 23 ASN N N 298 120.260 120.260 121.137 -0.877 17775 700 1 2 . 1 1 23 23 ASN HA H 298 4.960 4.960 4.988 -0.028 17775 701 1 2 . 1 1 23 23 ASN C C 298 174.560 174.560 175.920 -1.360 17775 702 1 2 . 1 1 23 23 ASN CA C 298 51.800 51.800 51.638 0.162 17775 703 1 2 . 1 1 23 23 ASN CB C 298 36.750 36.750 37.406 -0.656 17775 704 1 2 . 1 1 23 23 ASN H H 298 8.070 8.070 8.098 -0.028 17775 705 1 2 . 1 1 24 24 LEU N N 299 119.750 119.750 122.669 -2.919 17775 706 1 2 . 1 1 24 24 LEU HA H 299 3.950 3.950 4.037 -0.087 17775 707 1 2 . 1 1 24 24 LEU C C 299 176.390 176.390 178.191 -1.801 17775 708 1 2 . 1 1 24 24 LEU CA C 299 56.250 56.250 57.673 -1.423 17775 709 1 2 . 1 1 24 24 LEU CB C 299 41.260 41.260 41.650 -0.390 17775 710 1 2 . 1 1 24 24 LEU H H 299 7.850 7.850 7.529 0.321 17775 711 1 2 . 1 1 25 25 GLU N N 300 114.210 114.210 117.618 -3.408 17775 712 1 2 . 1 1 25 25 GLU HA H 300 4.230 4.230 4.209 0.021 17775 713 1 2 . 1 1 25 25 GLU C C 300 176.050 176.050 176.153 -0.103 17775 714 1 2 . 1 1 25 25 GLU CA C 300 55.640 55.640 56.470 -0.830 17775 715 1 2 . 1 1 25 25 GLU CB C 300 29.410 29.410 29.396 0.014 17775 716 1 2 . 1 1 25 25 GLU H H 300 7.840 7.840 8.491 -0.651 17775 717 1 2 . 1 1 26 26 ALA N N 301 124.010 124.010 124.191 -0.181 17775 718 1 2 . 1 1 26 26 ALA HA H 301 3.880 3.880 4.140 -0.260 17775 719 1 2 . 1 1 26 26 ALA C C 301 175.390 175.390 177.022 -1.632 17775 720 1 2 . 1 1 26 26 ALA CA C 301 52.890 52.890 52.486 0.404 17775 721 1 2 . 1 1 26 26 ALA CB C 301 18.570 18.570 19.042 -0.472 17775 722 1 2 . 1 1 26 26 ALA H H 301 6.770 6.770 7.275 -0.505 17775 723 1 2 . 1 1 27 27 GLU N N 302 120.120 120.120 123.164 -3.044 17775 724 1 2 . 1 1 27 27 GLU HA H 302 4.080 4.080 4.214 -0.134 17775 725 1 2 . 1 1 27 27 GLU C C 302 176.510 176.510 176.314 0.196 17775 726 1 2 . 1 1 27 27 GLU CA C 302 55.150 55.150 56.113 -0.963 17775 727 1 2 . 1 1 27 27 GLU CB C 302 30.160 30.160 30.352 -0.192 17775 728 1 2 . 1 1 27 27 GLU H H 302 7.880 7.880 8.356 -0.476 17775 729 1 2 . 1 1 28 28 VAL N N 303 129.020 129.020 124.785 4.235 17775 730 1 2 . 1 1 28 28 VAL HA H 303 4.230 4.230 4.178 0.052 17775 731 1 2 . 1 1 28 28 VAL CA C 303 60.440 60.440 60.876 -0.436 17775 732 1 2 . 1 1 28 28 VAL CB C 303 31.760 31.760 31.951 -0.192 17775 733 1 2 . 1 1 28 28 VAL H H 303 8.890 8.890 8.184 0.706 17775 734 1 2 . 1 1 29 29 PRO HA H 304 4.400 4.400 4.520 -0.120 17775 735 1 2 . 1 1 29 29 PRO CA C 304 62.790 62.790 62.178 0.612 17775 736 1 2 . 1 1 29 29 PRO CB C 304 32.120 32.120 32.631 -0.511 17775 737 1 2 . 1 1 30 30 HIS N N 305 103.640 103.640 112.795 -9.155 17775 738 1 2 . 1 1 30 30 HIS HA H 305 4.210 4.210 4.215 -0.005 17775 739 1 2 . 1 1 30 30 HIS C C 305 175.590 175.590 177.006 -1.416 17775 740 1 2 . 1 1 30 30 HIS CA C 305 57.950 57.950 57.332 0.618 17775 741 1 2 . 1 1 30 30 HIS CB C 305 27.910 27.910 27.460 0.450 17775 742 1 2 . 1 1 30 30 HIS H H 305 7.780 7.780 8.331 -0.551 17775 743 1 2 . 1 1 31 31 GLN N N 306 114.840 114.840 117.503 -2.663 17775 744 1 2 . 1 1 31 31 GLN HA H 306 3.990 3.990 4.111 -0.121 17775 745 1 2 . 1 1 31 31 GLN C C 306 176.290 176.290 176.456 -0.166 17775 746 1 2 . 1 1 31 31 GLN CA C 306 58.680 58.680 58.487 0.193 17775 747 1 2 . 1 1 31 31 GLN CB C 306 30.630 30.630 28.699 1.931 17775 748 1 2 . 1 1 31 31 GLN H H 306 8.010 8.010 8.465 -0.455 17775 749 1 2 . 1 1 32 32 ASN N N 307 113.230 113.230 114.181 -0.951 17775 750 1 2 . 1 1 32 32 ASN HA H 307 4.640 4.640 4.724 -0.084 17775 751 1 2 . 1 1 32 32 ASN C C 307 175.610 175.610 175.571 0.039 17775 752 1 2 . 1 1 32 32 ASN CA C 307 52.800 52.800 53.439 -0.639 17775 753 1 2 . 1 1 32 32 ASN CB C 307 37.630 37.630 38.303 -0.673 17775 754 1 2 . 1 1 32 32 ASN H H 307 8.360 8.360 8.388 -0.028 17775 755 1 2 . 1 1 33 33 ARG N N 308 119.580 119.580 120.630 -1.050 17775 756 1 2 . 1 1 33 33 ARG HA H 308 4.140 4.140 4.280 -0.140 17775 757 1 2 . 1 1 33 33 ARG CA C 308 56.950 56.950 56.519 0.431 17775 758 1 2 . 1 1 33 33 ARG CB C 308 33.030 33.030 31.024 2.006 17775 759 1 2 . 1 1 33 33 ARG H H 308 7.160 7.160 7.390 -0.230 17775 760 1 2 . 1 1 34 34 ALA HA H 309 4.530 4.530 4.271 0.259 17775 761 1 2 . 1 1 34 34 ALA C C 309 176.610 176.610 177.091 -0.481 17775 762 1 2 . 1 1 34 34 ALA CA C 309 51.650 51.650 52.767 -1.117 17775 763 1 2 . 1 1 34 34 ALA CB C 309 18.830 18.830 19.141 -0.311 17775 764 1 2 . 1 1 35 35 ASP N N 310 117.680 117.680 118.843 -1.163 17775 765 1 2 . 1 1 35 35 ASP HA H 310 4.660 4.660 4.644 0.016 17775 766 1 2 . 1 1 35 35 ASP C C 310 176.740 176.740 177.086 -0.346 17775 767 1 2 . 1 1 35 35 ASP CA C 310 52.240 52.240 52.963 -0.723 17775 768 1 2 . 1 1 35 35 ASP CB C 310 41.580 41.580 40.648 0.932 17775 769 1 2 . 1 1 35 35 ASP H H 310 7.460 7.460 7.709 -0.249 17775 770 1 2 . 1 1 36 36 GLU N N 311 118.110 118.110 117.333 0.777 17775 771 1 2 . 1 1 36 36 GLU HA H 311 3.870 3.870 4.061 -0.191 17775 772 1 2 . 1 1 36 36 GLU C C 311 177.440 177.440 178.431 -0.991 17775 773 1 2 . 1 1 36 36 GLU CA C 311 60.460 60.460 59.822 0.638 17775 774 1 2 . 1 1 36 36 GLU CB C 311 27.660 27.660 29.396 -1.736 17775 775 1 2 . 1 1 36 36 GLU H H 311 9.910 9.910 8.661 1.249 17775 776 1 2 . 1 1 37 37 ILE N N 312 118.790 118.790 119.490 -0.700 17775 777 1 2 . 1 1 37 37 ILE HA H 312 3.570 3.570 3.875 -0.305 17775 778 1 2 . 1 1 37 37 ILE C C 312 177.460 177.460 178.152 -0.692 17775 779 1 2 . 1 1 37 37 ILE CA C 312 63.170 63.170 62.767 0.403 17775 780 1 2 . 1 1 37 37 ILE CB C 312 35.770 35.770 36.611 -0.841 17775 781 1 2 . 1 1 37 37 ILE H H 312 7.420 7.420 7.623 -0.203 17775 782 1 2 . 1 1 38 38 GLY N N 313 108.320 108.320 109.277 -0.957 17775 783 1 2 . 1 1 38 38 GLY C C 313 176.200 176.200 176.195 0.005 17775 784 1 2 . 1 1 38 38 GLY CA C 313 47.090 47.090 47.361 -0.271 17775 785 1 2 . 1 1 38 38 GLY H H 313 7.510 7.510 7.911 -0.401 17775 786 1 2 . 1 1 39 39 ILE N N 314 121.890 121.890 122.530 -0.640 17775 787 1 2 . 1 1 39 39 ILE HA H 314 3.630 3.630 3.695 -0.065 17775 788 1 2 . 1 1 39 39 ILE C C 314 179.070 179.070 177.564 1.506 17775 789 1 2 . 1 1 39 39 ILE CA C 314 64.750 64.750 65.005 -0.255 17775 790 1 2 . 1 1 39 39 ILE CB C 314 37.610 37.610 37.981 -0.371 17775 791 1 2 . 1 1 39 39 ILE H H 314 7.390 7.390 7.708 -0.318 17775 792 1 2 . 1 1 40 40 LEU N N 315 121.370 121.370 121.507 -0.137 17775 793 1 2 . 1 1 40 40 LEU HA H 315 4.120 4.120 4.070 0.050 17775 794 1 2 . 1 1 40 40 LEU C C 315 178.560 178.560 178.201 0.359 17775 795 1 2 . 1 1 40 40 LEU CA C 315 57.620 57.620 57.782 -0.162 17775 796 1 2 . 1 1 40 40 LEU CB C 315 41.490 41.490 41.549 -0.059 17775 797 1 2 . 1 1 40 40 LEU H H 315 7.770 7.770 7.902 -0.132 17775 798 1 2 . 1 1 41 41 ALA N N 316 123.480 123.480 121.639 1.841 17775 799 1 2 . 1 1 41 41 ALA HA H 316 3.840 3.840 3.936 -0.096 17775 800 1 2 . 1 1 41 41 ALA C C 316 179.700 179.700 179.511 0.189 17775 801 1 2 . 1 1 41 41 ALA CA C 316 56.180 56.180 55.493 0.687 17775 802 1 2 . 1 1 41 41 ALA CB C 316 19.870 19.870 18.336 1.534 17775 803 1 2 . 1 1 41 41 ALA H H 316 9.020 9.020 8.070 0.950 17775 804 1 2 . 1 1 42 42 LYS N N 317 116.890 116.890 118.505 -1.615 17775 805 1 2 . 1 1 42 42 LYS HA H 317 3.900 3.900 4.014 -0.114 17775 806 1 2 . 1 1 42 42 LYS C C 317 179.730 179.730 179.203 0.527 17775 807 1 2 . 1 1 42 42 LYS CA C 317 60.430 60.430 59.416 1.014 17775 808 1 2 . 1 1 42 42 LYS H H 317 8.320 8.320 8.004 0.316 17775 809 1 2 . 1 1 43 43 SER N N 318 119.130 119.130 115.652 3.478 17775 810 1 2 . 1 1 43 43 SER HA H 318 4.340 4.340 4.205 0.135 17775 811 1 2 . 1 1 43 43 SER C C 318 177.430 177.430 176.714 0.716 17775 812 1 2 . 1 1 43 43 SER CA C 318 62.630 62.630 61.785 0.846 17775 813 1 2 . 1 1 43 43 SER CB C 318 63.050 63.050 62.956 0.094 17775 814 1 2 . 1 1 43 43 SER H H 318 8.060 8.060 8.000 0.060 17775 815 1 2 . 1 1 44 44 ILE N N 319 124.020 124.020 122.772 1.248 17775 816 1 2 . 1 1 44 44 ILE HA H 319 3.640 3.640 3.670 -0.030 17775 817 1 2 . 1 1 44 44 ILE C C 319 177.190 177.190 177.936 -0.746 17775 818 1 2 . 1 1 44 44 ILE CA C 319 65.020 65.020 65.040 -0.020 17775 819 1 2 . 1 1 44 44 ILE CB C 319 36.790 36.790 37.633 -0.842 17775 820 1 2 . 1 1 44 44 ILE H H 319 8.250 8.250 7.645 0.605 17775 821 1 2 . 1 1 45 45 GLU N N 320 123.090 123.090 120.715 2.375 17775 822 1 2 . 1 1 45 45 GLU HA H 320 4.600 4.600 3.954 0.645 17775 823 1 2 . 1 1 45 45 GLU C C 320 178.190 178.190 178.642 -0.452 17775 824 1 2 . 1 1 45 45 GLU CA C 320 58.430 58.430 59.477 -1.047 17775 825 1 2 . 1 1 45 45 GLU CB C 320 27.700 27.700 29.219 -1.519 17775 826 1 2 . 1 1 45 45 GLU H H 320 8.390 8.390 8.086 0.304 17775 827 1 2 . 1 1 46 46 ARG N N 321 119.760 119.760 119.307 0.453 17775 828 1 2 . 1 1 46 46 ARG HA H 321 3.930 3.930 4.047 -0.117 17775 829 1 2 . 1 1 46 46 ARG C C 321 179.950 179.950 179.054 0.896 17775 830 1 2 . 1 1 46 46 ARG CA C 321 60.440 60.440 59.424 1.016 17775 831 1 2 . 1 1 46 46 ARG CB C 321 29.770 29.770 30.153 -0.383 17775 832 1 2 . 1 1 46 46 ARG H H 321 8.000 8.000 7.825 0.175 17775 833 1 2 . 1 1 47 47 LEU N N 322 121.360 121.360 119.595 1.765 17775 834 1 2 . 1 1 47 47 LEU HA H 322 4.020 4.020 3.953 0.067 17775 835 1 2 . 1 1 47 47 LEU C C 322 178.040 178.040 178.738 -0.698 17775 836 1 2 . 1 1 47 47 LEU CA C 322 58.550 58.550 57.922 0.628 17775 837 1 2 . 1 1 47 47 LEU CB C 322 41.650 41.650 41.454 0.196 17775 838 1 2 . 1 1 47 47 LEU H H 322 7.870 7.870 7.873 -0.003 17775 839 1 2 . 1 1 48 48 ARG N N 323 121.390 121.390 119.528 1.862 17775 840 1 2 . 1 1 48 48 ARG HA H 323 3.690 3.690 3.936 -0.246 17775 841 1 2 . 1 1 48 48 ARG C C 323 178.120 178.120 178.481 -0.361 17775 842 1 2 . 1 1 48 48 ARG CA C 323 60.630 60.630 59.769 0.861 17775 843 1 2 . 1 1 48 48 ARG CB C 323 30.230 30.230 29.981 0.249 17775 844 1 2 . 1 1 48 48 ARG H H 323 8.730 8.730 7.928 0.802 17775 845 1 2 . 1 1 49 49 ARG N N 324 116.720 116.720 118.468 -1.748 17775 846 1 2 . 1 1 49 49 ARG HA H 324 3.840 3.840 3.999 -0.159 17775 847 1 2 . 1 1 49 49 ARG C C 324 179.060 179.060 178.688 0.372 17775 848 1 2 . 1 1 49 49 ARG CA C 324 59.930 59.930 59.842 0.088 17775 849 1 2 . 1 1 49 49 ARG CB C 324 29.830 29.830 30.117 -0.287 17775 850 1 2 . 1 1 49 49 ARG H H 324 8.550 8.550 8.108 0.442 17775 851 1 2 . 1 1 50 50 SER N N 325 117.600 117.600 116.287 1.313 17775 852 1 2 . 1 1 50 50 SER HA H 325 4.120 4.120 4.361 -0.241 17775 853 1 2 . 1 1 50 50 SER C C 325 176.050 176.050 176.649 -0.599 17775 854 1 2 . 1 1 50 50 SER CA C 325 62.630 62.630 62.517 0.114 17775 855 1 2 . 1 1 50 50 SER CB C 325 62.950 62.950 63.141 -0.191 17775 856 1 2 . 1 1 50 50 SER H H 325 8.170 8.170 7.806 0.364 17775 857 1 2 . 1 1 51 51 LEU N N 326 123.730 123.730 121.966 1.764 17775 858 1 2 . 1 1 51 51 LEU HA H 326 3.990 3.990 3.924 0.066 17775 859 1 2 . 1 1 51 51 LEU C C 326 177.380 177.380 178.355 -0.975 17775 860 1 2 . 1 1 51 51 LEU CA C 326 58.580 58.580 58.084 0.496 17775 861 1 2 . 1 1 51 51 LEU CB C 326 42.190 42.190 41.667 0.523 17775 862 1 2 . 1 1 51 51 LEU H H 326 8.190 8.190 7.744 0.446 17775 863 1 2 . 1 1 52 52 LYS N N 327 119.170 119.170 119.345 -0.175 17775 864 1 2 . 1 1 52 52 LYS HA H 327 3.860 3.860 3.851 0.009 17775 865 1 2 . 1 1 52 52 LYS C C 327 179.050 179.050 179.007 0.043 17775 866 1 2 . 1 1 52 52 LYS CA C 327 59.700 59.700 59.861 -0.161 17775 867 1 2 . 1 1 52 52 LYS CB C 327 32.020 32.020 32.326 -0.306 17775 868 1 2 . 1 1 52 52 LYS H H 327 8.580 8.580 8.001 0.579 17775 869 1 2 . 1 1 53 53 GLN N N 328 118.180 118.180 118.780 -0.600 17775 870 1 2 . 1 1 53 53 GLN HA H 328 4.080 4.080 4.020 0.060 17775 871 1 2 . 1 1 53 53 GLN C C 328 177.960 177.960 178.572 -0.612 17775 872 1 2 . 1 1 53 53 GLN CA C 328 58.690 58.690 59.080 -0.390 17775 873 1 2 . 1 1 53 53 GLN CB C 328 28.450 28.450 28.819 -0.369 17775 874 1 2 . 1 1 53 53 GLN H H 328 8.080 8.080 7.949 0.131 17775 875 1 2 . 1 1 54 54 LEU N N 329 118.740 118.740 120.026 -1.286 17775 876 1 2 . 1 1 54 54 LEU HA H 329 4.150 4.150 3.930 0.220 17775 877 1 2 . 1 1 54 54 LEU C C 329 179.580 179.580 178.656 0.924 17775 878 1 2 . 1 1 54 54 LEU CA C 329 58.080 58.080 57.859 0.221 17775 879 1 2 . 1 1 54 54 LEU CB C 329 42.620 42.620 41.656 0.964 17775 880 1 2 . 1 1 54 54 LEU H H 329 7.680 7.680 7.969 -0.289 17775 881 1 2 . 1 1 55 55 ALA N N 330 123.330 123.330 122.018 1.312 17775 882 1 2 . 1 1 55 55 ALA HA H 330 4.050 4.050 3.913 0.137 17775 883 1 2 . 1 1 55 55 ALA C C 330 180.530 180.530 179.502 1.028 17775 884 1 2 . 1 1 55 55 ALA CA C 330 55.630 55.630 55.413 0.218 17775 885 1 2 . 1 1 55 55 ALA CB C 330 18.320 18.320 18.008 0.312 17775 886 1 2 . 1 1 55 55 ALA H H 330 8.390 8.390 7.906 0.484 17775 887 1 2 . 1 1 56 56 ASP N N 331 121.350 121.350 118.937 2.413 17775 888 1 2 . 1 1 56 56 ASP HA H 331 4.420 4.420 4.364 0.056 17775 889 1 2 . 1 1 56 56 ASP C C 331 179.100 179.100 178.437 0.663 17775 890 1 2 . 1 1 56 56 ASP CA C 331 57.430 57.430 57.568 -0.138 17775 891 1 2 . 1 1 56 56 ASP CB C 331 39.630 39.630 40.305 -0.675 17775 892 1 2 . 1 1 56 56 ASP H H 331 8.820 8.820 7.952 0.868 17775 893 1 2 . 1 1 57 57 ASP N N 332 121.570 121.570 120.321 1.249 17775 894 1 2 . 1 1 57 57 ASP HA H 332 4.490 4.490 4.367 0.123 17775 895 1 2 . 1 1 57 57 ASP C C 332 179.080 179.080 178.411 0.669 17775 896 1 2 . 1 1 57 57 ASP CA C 332 57.380 57.380 57.434 -0.054 17775 897 1 2 . 1 1 57 57 ASP CB C 332 40.440 40.440 40.697 -0.257 17775 898 1 2 . 1 1 57 57 ASP H H 332 8.420 8.420 8.185 0.235 17775 899 1 2 . 1 1 58 58 ARG N N 333 120.250 120.250 119.942 0.308 17775 900 1 2 . 1 1 58 58 ARG HA H 333 3.940 3.940 3.945 -0.005 17775 901 1 2 . 1 1 58 58 ARG C C 333 177.770 177.770 178.451 -0.681 17775 902 1 2 . 1 1 58 58 ARG CA C 333 58.790 58.790 59.695 -0.905 17775 903 1 2 . 1 1 58 58 ARG CB C 333 30.300 30.300 30.351 -0.051 17775 904 1 2 . 1 1 58 58 ARG H H 333 7.900 7.900 7.766 0.134 17775 905 1 2 . 1 1 59 59 THR N N 334 115.160 115.160 116.261 -1.101 17775 906 1 2 . 1 1 59 59 THR HA H 334 3.960 3.960 4.055 -0.095 17775 907 1 2 . 1 1 59 59 THR C C 334 176.690 176.690 176.706 -0.016 17775 908 1 2 . 1 1 59 59 THR CA C 334 66.430 66.430 67.305 -0.875 17775 909 1 2 . 1 1 59 59 THR CB C 334 68.720 68.720 68.386 0.334 17775 910 1 2 . 1 1 59 59 THR H H 334 7.940 7.940 7.640 0.300 17775 911 1 2 . 1 1 60 60 LEU N N 335 123.040 123.040 121.329 1.711 17775 912 1 2 . 1 1 60 60 LEU HA H 335 4.070 4.070 3.956 0.114 17775 913 1 2 . 1 1 60 60 LEU C C 335 180.040 180.040 178.653 1.387 17775 914 1 2 . 1 1 60 60 LEU CA C 335 57.690 57.690 57.872 -0.182 17775 915 1 2 . 1 1 60 60 LEU CB C 335 41.810 41.810 41.530 0.280 17775 916 1 2 . 1 1 60 60 LEU H H 335 7.860 7.860 7.802 0.058 17775 917 1 2 . 1 1 61 61 LEU N N 336 121.600 121.600 120.354 1.246 17775 918 1 2 . 1 1 61 61 LEU HA H 336 4.020 4.020 3.887 0.133 17775 919 1 2 . 1 1 61 61 LEU C C 336 179.360 179.360 178.471 0.889 17775 920 1 2 . 1 1 61 61 LEU CA C 336 57.900 57.900 58.271 -0.371 17775 921 1 2 . 1 1 61 61 LEU CB C 336 41.970 41.970 41.851 0.119 17775 922 1 2 . 1 1 61 61 LEU H H 336 8.180 8.180 8.005 0.175 17775 923 1 2 . 1 1 62 62 MET N N 337 116.900 116.900 118.244 -1.344 17775 924 1 2 . 1 1 62 62 MET HA H 337 4.110 4.110 3.902 0.208 17775 925 1 2 . 1 1 62 62 MET C C 337 179.750 179.750 178.229 1.521 17775 926 1 2 . 1 1 62 62 MET CA C 337 57.850 57.850 58.953 -1.103 17775 927 1 2 . 1 1 62 62 MET CB C 337 32.200 32.200 32.406 -0.206 17775 928 1 2 . 1 1 62 62 MET H H 337 8.160 8.160 7.656 0.504 17775 929 1 2 . 1 1 63 63 ALA N N 338 122.990 122.990 121.533 1.457 17775 930 1 2 . 1 1 63 63 ALA HA H 338 4.110 4.110 4.113 -0.003 17775 931 1 2 . 1 1 63 63 ALA C C 338 180.420 180.420 179.533 0.887 17775 932 1 2 . 1 1 63 63 ALA CA C 338 55.270 55.270 55.151 0.119 17775 933 1 2 . 1 1 63 63 ALA CB C 338 17.960 17.960 18.219 -0.259 17775 934 1 2 . 1 1 63 63 ALA H H 338 8.090 8.090 7.783 0.307 17775 935 1 2 . 1 1 64 64 GLY N N 339 106.980 106.980 106.920 0.060 17775 936 1 2 . 1 1 64 64 GLY C C 339 175.240 175.240 176.184 -0.944 17775 937 1 2 . 1 1 64 64 GLY CA C 339 47.190 47.190 47.282 -0.092 17775 938 1 2 . 1 1 64 64 GLY H H 339 8.070 8.070 8.029 0.041 17775 939 1 2 . 1 1 65 65 VAL N N 340 120.660 120.660 122.135 -1.475 17775 940 1 2 . 1 1 65 65 VAL HA H 340 3.780 3.780 3.633 0.147 17775 941 1 2 . 1 1 65 65 VAL C C 340 176.960 176.960 178.149 -1.189 17775 942 1 2 . 1 1 65 65 VAL CA C 340 65.620 65.620 65.785 -0.165 17775 943 1 2 . 1 1 65 65 VAL CB C 340 31.690 31.690 31.164 0.526 17775 944 1 2 . 1 1 65 65 VAL H H 340 8.100 8.100 7.705 0.395 17775 945 1 2 . 1 1 66 66 SER N N 341 112.150 112.150 115.647 -3.497 17775 946 1 2 . 1 1 66 66 SER HA H 341 4.000 4.000 4.002 -0.002 17775 947 1 2 . 1 1 66 66 SER C C 341 175.860 175.860 176.736 -0.876 17775 948 1 2 . 1 1 66 66 SER CA C 341 61.240 61.240 62.228 -0.988 17775 949 1 2 . 1 1 66 66 SER CB C 341 63.260 63.260 62.825 0.435 17775 950 1 2 . 1 1 66 66 SER H H 341 7.810 7.810 7.828 -0.018 17775 951 1 2 . 1 1 67 67 HIS N N 342 118.910 118.910 122.456 -3.546 17775 952 1 2 . 1 1 67 67 HIS HA H 342 4.440 4.440 4.248 0.192 17775 953 1 2 . 1 1 67 67 HIS C C 342 177.780 177.780 177.987 -0.207 17775 954 1 2 . 1 1 67 67 HIS CA C 342 59.160 59.160 60.003 -0.843 17775 955 1 2 . 1 1 67 67 HIS CB C 342 30.400 30.400 30.098 0.302 17775 956 1 2 . 1 1 67 67 HIS H H 342 7.830 7.830 8.004 -0.174 17775 957 1 2 . 1 1 68 68 ASP N N 343 120.590 120.590 120.207 0.383 17775 958 1 2 . 1 1 68 68 ASP HA H 343 4.440 4.440 4.399 0.041 17775 959 1 2 . 1 1 68 68 ASP C C 343 178.470 178.470 178.997 -0.527 17775 960 1 2 . 1 1 68 68 ASP CA C 343 57.500 57.500 57.433 0.067 17775 961 1 2 . 1 1 68 68 ASP CB C 343 39.880 39.880 40.491 -0.611 17775 962 1 2 . 1 1 68 68 ASP H H 343 8.580 8.580 8.031 0.549 17775 963 1 2 . 1 1 69 69 LEU N N 344 117.900 117.900 119.836 -1.936 17775 964 1 2 . 1 1 69 69 LEU HA H 344 4.190 4.190 3.959 0.231 17775 965 1 2 . 1 1 69 69 LEU C C 344 177.010 177.010 178.279 -1.269 17775 966 1 2 . 1 1 69 69 LEU CA C 344 56.810 56.810 57.445 -0.635 17775 967 1 2 . 1 1 69 69 LEU CB C 344 43.300 43.300 41.520 1.780 17775 968 1 2 . 1 1 69 69 LEU H H 344 8.300 8.300 7.948 0.352 17775 969 1 2 . 1 1 70 70 ARG N N 345 114.380 114.380 118.671 -4.291 17775 970 1 2 . 1 1 70 70 ARG HA H 345 3.930 3.930 3.875 0.055 17775 971 1 2 . 1 1 70 70 ARG C C 345 178.840 178.840 178.138 0.702 17775 972 1 2 . 1 1 70 70 ARG CA C 345 59.420 59.420 59.737 -0.317 17775 973 1 2 . 1 1 70 70 ARG CB C 345 30.210 30.210 29.907 0.303 17775 974 1 2 . 1 1 70 70 ARG H H 345 7.280 7.280 7.752 -0.472 17775 975 1 2 . 1 1 71 71 THR N N 346 115.370 115.370 115.139 0.231 17775 976 1 2 . 1 1 71 71 THR HA H 346 4.060 4.060 4.213 -0.153 17775 977 1 2 . 1 1 71 71 THR CA C 346 68.800 68.800 68.142 0.658 17775 978 1 2 . 1 1 71 71 THR CB C 346 66.590 66.590 66.449 0.141 17775 979 1 2 . 1 1 71 71 THR H H 346 7.540 7.540 7.683 -0.143 17775 980 1 2 . 1 1 72 72 PRO HA H 347 4.090 4.090 4.296 -0.206 17775 981 1 2 . 1 1 72 72 PRO CA C 347 65.860 65.860 65.682 0.178 17775 982 1 2 . 1 1 72 72 PRO CB C 347 31.380 31.380 31.266 0.114 17775 983 1 2 . 1 1 73 73 LEU N N 348 114.830 114.830 118.899 -4.069 17775 984 1 2 . 1 1 73 73 LEU HA H 348 3.950 3.950 3.900 0.050 17775 985 1 2 . 1 1 73 73 LEU C C 348 179.120 179.120 179.005 0.115 17775 986 1 2 . 1 1 73 73 LEU CA C 348 58.450 58.450 58.276 0.174 17775 987 1 2 . 1 1 73 73 LEU CB C 348 41.320 41.320 41.385 -0.065 17775 988 1 2 . 1 1 73 73 LEU H H 348 6.970 6.970 7.625 -0.655 17775 989 1 2 . 1 1 74 74 THR N N 349 116.230 116.230 114.881 1.349 17775 990 1 2 . 1 1 74 74 THR HA H 349 3.880 3.880 3.880 -0.000 17775 991 1 2 . 1 1 74 74 THR C C 349 176.100 176.100 176.895 -0.795 17775 992 1 2 . 1 1 74 74 THR CA C 349 66.760 66.760 66.713 0.047 17775 993 1 2 . 1 1 74 74 THR CB C 349 68.770 68.770 68.418 0.352 17775 994 1 2 . 1 1 74 74 THR H H 349 8.090 8.090 7.927 0.163 17775 995 1 2 . 1 1 75 75 ARG N N 350 121.190 121.190 121.692 -0.502 17775 996 1 2 . 1 1 75 75 ARG HA H 350 3.970 3.970 4.012 -0.042 17775 997 1 2 . 1 1 75 75 ARG C C 350 180.130 180.130 178.753 1.377 17775 998 1 2 . 1 1 75 75 ARG CA C 350 61.030 61.030 59.686 1.344 17775 999 1 2 . 1 1 75 75 ARG CB C 350 31.080 31.080 30.045 1.035 17775 1000 1 2 . 1 1 75 75 ARG H H 350 7.570 7.570 7.657 -0.087 17775 1001 1 2 . 1 1 76 76 ILE N N 351 122.150 122.150 119.713 2.437 17775 1002 1 2 . 1 1 76 76 ILE HA H 351 3.700 3.700 3.656 0.044 17775 1003 1 2 . 1 1 76 76 ILE C C 351 177.070 177.070 177.808 -0.738 17775 1004 1 2 . 1 1 76 76 ILE CA C 351 65.560 65.560 65.081 0.479 17775 1005 1 2 . 1 1 76 76 ILE CB C 351 37.650 37.650 37.451 0.199 17775 1006 1 2 . 1 1 76 76 ILE H H 351 8.060 8.060 7.911 0.149 17775 1007 1 2 . 1 1 77 77 ARG N N 352 120.120 120.120 120.802 -0.682 17775 1008 1 2 . 1 1 77 77 ARG HA H 352 3.930 3.930 4.030 -0.100 17775 1009 1 2 . 1 1 77 77 ARG C C 352 179.580 179.580 178.916 0.664 17775 1010 1 2 . 1 1 77 77 ARG CA C 352 59.340 59.340 59.628 -0.288 17775 1011 1 2 . 1 1 77 77 ARG CB C 352 29.690 29.690 30.319 -0.629 17775 1012 1 2 . 1 1 77 77 ARG H H 352 7.700 7.700 7.652 0.048 17775 1013 1 2 . 1 1 78 78 LEU N N 353 119.970 119.970 118.514 1.456 17775 1014 1 2 . 1 1 78 78 LEU HA H 353 4.000 4.000 4.281 -0.281 17775 1015 1 2 . 1 1 78 78 LEU C C 353 179.600 179.600 179.070 0.530 17775 1016 1 2 . 1 1 78 78 LEU CA C 353 57.910 57.910 57.511 0.399 17775 1017 1 2 . 1 1 78 78 LEU CB C 353 41.430 41.430 41.974 -0.544 17775 1018 1 2 . 1 1 78 78 LEU H H 353 8.260 8.260 7.865 0.395 17775 1019 1 2 . 1 1 79 79 ALA N N 354 122.390 122.390 121.045 1.345 17775 1020 1 2 . 1 1 79 79 ALA HA H 354 4.070 4.070 4.037 0.033 17775 1021 1 2 . 1 1 79 79 ALA C C 354 180.620 180.620 179.726 0.894 17775 1022 1 2 . 1 1 79 79 ALA CA C 354 55.270 55.270 54.886 0.384 17775 1023 1 2 . 1 1 79 79 ALA CB C 354 18.030 18.030 18.528 -0.498 17775 1024 1 2 . 1 1 79 79 ALA H H 354 7.850 7.850 7.870 -0.020 17775 1025 1 2 . 1 1 80 80 THR N N 355 107.540 107.540 112.059 -4.519 17775 1026 1 2 . 1 1 80 80 THR HA H 355 3.990 3.990 3.931 0.059 17775 1027 1 2 . 1 1 80 80 THR C C 355 177.250 177.250 177.228 0.022 17775 1028 1 2 . 1 1 80 80 THR CA C 355 64.970 64.970 65.998 -1.028 17775 1029 1 2 . 1 1 80 80 THR CB C 355 69.020 69.020 68.572 0.448 17775 1030 1 2 . 1 1 80 80 THR H H 355 7.930 7.930 8.024 -0.094 17775 1031 1 2 . 1 1 81 81 GLU N N 356 120.380 120.380 120.617 -0.237 17775 1032 1 2 . 1 1 81 81 GLU HA H 356 4.090 4.090 4.138 -0.048 17775 1033 1 2 . 1 1 81 81 GLU C C 356 177.280 177.280 177.573 -0.293 17775 1034 1 2 . 1 1 81 81 GLU CA C 356 58.020 58.020 58.331 -0.311 17775 1035 1 2 . 1 1 81 81 GLU CB C 356 29.490 29.490 29.383 0.107 17775 1036 1 2 . 1 1 81 81 GLU H H 356 7.380 7.380 7.538 -0.158 17775 1037 1 2 . 1 1 82 82 MET N N 357 115.510 115.510 115.960 -0.450 17775 1038 1 2 . 1 1 82 82 MET HA H 357 4.480 4.480 4.323 0.157 17775 1039 1 2 . 1 1 82 82 MET C C 357 176.140 176.140 176.458 -0.318 17775 1040 1 2 . 1 1 82 82 MET CA C 357 54.810 54.810 55.828 -1.018 17775 1041 1 2 . 1 1 82 82 MET CB C 357 32.660 32.660 33.473 -0.813 17775 1042 1 2 . 1 1 82 82 MET H H 357 7.480 7.480 7.440 0.040 17775 1043 1 2 . 1 1 83 83 MET N N 358 119.530 119.530 119.166 0.364 17775 1044 1 2 . 1 1 83 83 MET HA H 358 4.020 4.020 4.325 -0.305 17775 1045 1 2 . 1 1 83 83 MET C C 358 175.670 175.670 176.283 -0.613 17775 1046 1 2 . 1 1 83 83 MET CA C 358 57.430 57.430 55.551 1.879 17775 1047 1 2 . 1 1 83 83 MET CB C 358 33.860 33.860 32.700 1.160 17775 1048 1 2 . 1 1 83 83 MET H H 358 7.010 7.010 7.366 -0.356 17775 1049 1 2 . 1 1 84 84 SER N N 359 119.110 119.110 118.275 0.835 17775 1050 1 2 . 1 1 84 84 SER HA H 359 4.300 4.300 4.607 -0.307 17775 1051 1 2 . 1 1 84 84 SER C C 359 176.160 176.160 174.848 1.312 17775 1052 1 2 . 1 1 84 84 SER CA C 359 59.170 59.170 57.382 1.788 17775 1053 1 2 . 1 1 84 84 SER CB C 359 64.540 64.540 64.647 -0.107 17775 1054 1 2 . 1 1 84 84 SER H H 359 9.630 9.630 8.175 1.455 17775 1055 1 2 . 1 1 85 85 GLU N N 360 124.090 124.090 120.813 3.277 17775 1056 1 2 . 1 1 85 85 GLU CA C 360 58.880 58.880 59.025 -0.145 17775 1057 1 2 . 1 1 85 85 GLU CB C 360 29.560 29.560 29.515 0.045 17775 1058 1 2 . 1 1 85 85 GLU H H 360 8.810 8.810 8.881 -0.071 17775 1059 1 2 . 1 1 86 86 GLN HA H 361 4.220 4.220 4.192 0.028 17775 1060 1 2 . 1 1 86 86 GLN C C 361 176.370 176.370 177.339 -0.969 17775 1061 1 2 . 1 1 86 86 GLN CA C 361 58.440 58.440 58.126 0.314 17775 1062 1 2 . 1 1 86 86 GLN CB C 361 28.290 28.290 28.808 -0.518 17775 1063 1 2 . 1 1 87 87 ASP N N 362 118.700 118.700 117.684 1.016 17775 1064 1 2 . 1 1 87 87 ASP HA H 362 5.070 5.070 4.541 0.529 17775 1065 1 2 . 1 1 87 87 ASP C C 362 176.740 176.740 176.283 0.457 17775 1066 1 2 . 1 1 87 87 ASP CA C 362 53.710 53.710 53.038 0.673 17775 1067 1 2 . 1 1 87 87 ASP CB C 362 40.980 40.980 40.597 0.383 17775 1068 1 2 . 1 1 87 87 ASP H H 362 7.640 7.640 7.585 0.055 17775 1069 1 2 . 1 1 88 88 GLY N N 363 110.410 110.410 108.869 1.541 17775 1070 1 2 . 1 1 88 88 GLY CA C 363 47.890 47.890 47.308 0.582 17775 1071 1 2 . 1 1 88 88 GLY H H 363 7.940 7.940 7.957 -0.017 17775 1072 1 2 . 1 1 89 89 TYR HA H 364 4.430 4.430 4.174 0.256 17775 1073 1 2 . 1 1 89 89 TYR C C 364 177.600 177.600 177.576 0.024 17775 1074 1 2 . 1 1 89 89 TYR CA C 364 59.970 59.970 59.720 0.250 17775 1075 1 2 . 1 1 89 89 TYR CB C 364 37.100 37.100 37.214 -0.114 17775 1076 1 2 . 1 1 89 89 TYR H H 364 8.470 8.470 8.045 0.425 17775 1077 1 2 . 1 1 90 90 LEU N N 365 124.000 124.000 119.986 4.014 17775 1078 1 2 . 1 1 90 90 LEU HA H 365 3.920 3.920 3.888 0.032 17775 1079 1 2 . 1 1 90 90 LEU C C 365 178.180 178.180 178.733 -0.553 17775 1080 1 2 . 1 1 90 90 LEU CA C 365 57.050 57.050 56.999 0.051 17775 1081 1 2 . 1 1 90 90 LEU CB C 365 41.930 41.930 41.137 0.793 17775 1082 1 2 . 1 1 90 90 LEU H H 365 7.080 7.080 6.781 0.299 17775 1083 1 2 . 1 1 91 91 ALA N N 366 123.150 123.150 121.436 1.714 17775 1084 1 2 . 1 1 91 91 ALA HA H 366 3.790 3.790 3.941 -0.151 17775 1085 1 2 . 1 1 91 91 ALA C C 366 179.610 179.610 179.664 -0.054 17775 1086 1 2 . 1 1 91 91 ALA CA C 366 55.910 55.910 54.987 0.923 17775 1087 1 2 . 1 1 91 91 ALA CB C 366 18.450 18.450 17.956 0.494 17775 1088 1 2 . 1 1 91 91 ALA H H 366 7.880 7.880 7.405 0.475 17775 1089 1 2 . 1 1 92 92 GLU N N 367 116.750 116.750 118.967 -2.217 17775 1090 1 2 . 1 1 92 92 GLU HA H 367 4.010 4.010 3.942 0.069 17775 1091 1 2 . 1 1 92 92 GLU C C 367 177.910 177.910 179.138 -1.228 17775 1092 1 2 . 1 1 92 92 GLU CA C 367 59.420 59.420 59.558 -0.138 17775 1093 1 2 . 1 1 92 92 GLU CB C 367 29.620 29.620 29.434 0.186 17775 1094 1 2 . 1 1 92 92 GLU H H 367 8.100 8.100 8.355 -0.255 17775 1095 1 2 . 1 1 93 93 SER N N 368 115.480 115.480 116.209 -0.729 17775 1096 1 2 . 1 1 93 93 SER HA H 368 4.060 4.060 4.214 -0.154 17775 1097 1 2 . 1 1 93 93 SER C C 368 176.360 176.360 176.597 -0.237 17775 1098 1 2 . 1 1 93 93 SER CA C 368 61.610 61.610 62.248 -0.638 17775 1099 1 2 . 1 1 93 93 SER CB C 368 63.080 63.080 63.142 -0.062 17775 1100 1 2 . 1 1 93 93 SER H H 368 7.520 7.520 7.562 -0.042 17775 1101 1 2 . 1 1 94 94 ILE N N 369 121.710 121.710 122.390 -0.680 17775 1102 1 2 . 1 1 94 94 ILE HA H 369 4.000 4.000 3.883 0.117 17775 1103 1 2 . 1 1 94 94 ILE C C 369 178.000 178.000 177.716 0.284 17775 1104 1 2 . 1 1 94 94 ILE CA C 369 65.470 65.470 64.904 0.565 17775 1105 1 2 . 1 1 94 94 ILE CB C 369 38.030 38.030 37.596 0.434 17775 1106 1 2 . 1 1 94 94 ILE H H 369 8.400 8.400 7.503 0.897 17775 1107 1 2 . 1 1 95 95 ASN N N 370 117.810 117.810 118.632 -0.822 17775 1108 1 2 . 1 1 95 95 ASN HA H 370 4.290 4.290 4.405 -0.115 17775 1109 1 2 . 1 1 95 95 ASN C C 370 179.730 179.730 177.485 2.245 17775 1110 1 2 . 1 1 95 95 ASN CA C 370 57.340 57.340 56.021 1.319 17775 1111 1 2 . 1 1 95 95 ASN CB C 370 38.280 38.280 37.763 0.517 17775 1112 1 2 . 1 1 95 95 ASN H H 370 8.270 8.270 8.235 0.035 17775 1113 1 2 . 1 1 96 96 LYS N N 371 121.220 121.220 120.906 0.314 17775 1114 1 2 . 1 1 96 96 LYS HA H 371 4.090 4.090 3.982 0.108 17775 1115 1 2 . 1 1 96 96 LYS C C 371 179.250 179.250 178.626 0.624 17775 1116 1 2 . 1 1 96 96 LYS CA C 371 59.650 59.650 59.681 -0.031 17775 1117 1 2 . 1 1 96 96 LYS CB C 371 31.730 31.730 32.423 -0.693 17775 1118 1 2 . 1 1 96 96 LYS H H 371 7.960 7.960 7.892 0.068 17775 1119 1 2 . 1 1 97 97 ASP N N 372 122.870 122.870 119.707 3.163 17775 1120 1 2 . 1 1 97 97 ASP HA H 372 4.060 4.060 4.431 -0.371 17775 1121 1 2 . 1 1 97 97 ASP C C 372 179.300 179.300 178.881 0.419 17775 1122 1 2 . 1 1 97 97 ASP CA C 372 58.400 58.400 57.471 0.929 17775 1123 1 2 . 1 1 97 97 ASP CB C 372 41.130 41.130 40.524 0.606 17775 1124 1 2 . 1 1 97 97 ASP H H 372 7.920 7.920 7.800 0.120 17775 1125 1 2 . 1 1 98 98 ILE N N 373 123.090 123.090 120.143 2.947 17775 1126 1 2 . 1 1 98 98 ILE HA H 373 3.620 3.620 3.653 -0.033 17775 1127 1 2 . 1 1 98 98 ILE C C 373 178.330 178.330 177.955 0.375 17775 1128 1 2 . 1 1 98 98 ILE CA C 373 65.080 65.080 65.407 -0.327 17775 1129 1 2 . 1 1 98 98 ILE CB C 373 37.260 37.260 37.739 -0.479 17775 1130 1 2 . 1 1 98 98 ILE H H 373 8.720 8.720 7.797 0.923 17775 1131 1 2 . 1 1 99 99 GLU N N 374 120.550 120.550 119.378 1.172 17775 1132 1 2 . 1 1 99 99 GLU HA H 374 4.120 4.120 3.906 0.214 17775 1133 1 2 . 1 1 99 99 GLU C C 374 179.740 179.740 178.854 0.886 17775 1134 1 2 . 1 1 99 99 GLU CA C 374 59.570 59.570 59.829 -0.259 17775 1135 1 2 . 1 1 99 99 GLU CB C 374 28.910 28.910 29.210 -0.300 17775 1136 1 2 . 1 1 99 99 GLU H H 374 8.100 8.100 7.997 0.103 17775 1137 1 2 . 1 1 100 100 GLU N N 375 122.040 122.040 120.112 1.928 17775 1138 1 2 . 1 1 100 100 GLU HA H 375 4.140 4.140 4.054 0.086 17775 1139 1 2 . 1 1 100 100 GLU C C 375 178.810 178.810 178.840 -0.030 17775 1140 1 2 . 1 1 100 100 GLU CA C 375 59.830 59.830 59.270 0.560 17775 1141 1 2 . 1 1 100 100 GLU CB C 375 29.220 29.220 29.614 -0.394 17775 1142 1 2 . 1 1 100 100 GLU H H 375 8.060 8.060 7.819 0.241 17775 1143 1 2 . 1 1 101 101 CYS N N 376 117.330 117.330 117.842 -0.512 17775 1144 1 2 . 1 1 101 101 CYS HA H 376 3.960 3.960 4.008 -0.049 17775 1145 1 2 . 1 1 101 101 CYS C C 376 176.540 176.540 177.076 -0.536 17775 1146 1 2 . 1 1 101 101 CYS CA C 376 64.510 64.510 64.423 0.087 17775 1147 1 2 . 1 1 101 101 CYS CB C 376 27.270 27.270 27.515 -0.245 17775 1148 1 2 . 1 1 101 101 CYS H H 376 8.130 8.130 8.010 0.120 17775 1149 1 2 . 1 1 102 102 ASN N N 377 117.140 117.140 118.045 -0.905 17775 1150 1 2 . 1 1 102 102 ASN HA H 377 4.290 4.290 4.428 -0.138 17775 1151 1 2 . 1 1 102 102 ASN C C 377 176.980 176.980 177.450 -0.470 17775 1152 1 2 . 1 1 102 102 ASN CA C 377 56.460 56.460 55.954 0.506 17775 1153 1 2 . 1 1 102 102 ASN CB C 377 38.440 38.440 37.774 0.666 17775 1154 1 2 . 1 1 102 102 ASN H H 377 8.430 8.430 7.888 0.542 17775 1155 1 2 . 1 1 103 103 ALA N N 378 123.350 123.350 123.388 -0.038 17775 1156 1 2 . 1 1 103 103 ALA HA H 378 4.130 4.130 4.068 0.062 17775 1157 1 2 . 1 1 103 103 ALA C C 378 180.510 180.510 179.690 0.820 17775 1158 1 2 . 1 1 103 103 ALA CA C 378 55.120 55.120 55.121 -0.001 17775 1159 1 2 . 1 1 103 103 ALA CB C 378 17.960 17.960 18.367 -0.407 17775 1160 1 2 . 1 1 103 103 ALA H H 378 8.130 8.130 7.880 0.250 17775 1161 1 2 . 1 1 104 104 ILE N N 379 120.880 120.880 119.319 1.561 17775 1162 1 2 . 1 1 104 104 ILE HA H 379 3.680 3.680 3.711 -0.031 17775 1163 1 2 . 1 1 104 104 ILE C C 379 178.260 178.260 178.507 -0.247 17775 1164 1 2 . 1 1 104 104 ILE CA C 379 64.860 64.860 65.673 -0.813 17775 1165 1 2 . 1 1 104 104 ILE CB C 379 38.080 38.080 38.078 0.002 17775 1166 1 2 . 1 1 104 104 ILE H H 379 8.010 8.010 7.717 0.293 17775 1167 1 2 . 1 1 105 105 ILE N N 380 119.970 119.970 119.636 0.334 17775 1168 1 2 . 1 1 105 105 ILE HA H 380 3.430 3.430 3.762 -0.332 17775 1169 1 2 . 1 1 105 105 ILE C C 380 177.660 177.660 178.179 -0.519 17775 1170 1 2 . 1 1 105 105 ILE CA C 380 65.490 65.490 65.745 -0.255 17775 1171 1 2 . 1 1 105 105 ILE CB C 380 38.060 38.060 37.652 0.408 17775 1172 1 2 . 1 1 105 105 ILE H H 380 8.060 8.060 7.658 0.402 17775 1173 1 2 . 1 1 106 106 GLU N N 381 118.640 118.640 119.978 -1.338 17775 1174 1 2 . 1 1 106 106 GLU HA H 381 3.970 3.970 3.963 0.007 17775 1175 1 2 . 1 1 106 106 GLU C C 381 178.440 178.440 178.816 -0.376 17775 1176 1 2 . 1 1 106 106 GLU CA C 381 59.260 59.260 59.810 -0.550 17775 1177 1 2 . 1 1 106 106 GLU CB C 381 29.570 29.570 29.355 0.215 17775 1178 1 2 . 1 1 106 106 GLU H H 381 8.140 8.140 8.075 0.065 17775 1179 1 2 . 1 1 107 107 GLN N N 382 117.770 117.770 119.127 -1.357 17775 1180 1 2 . 1 1 107 107 GLN HA H 382 4.040 4.040 4.015 0.025 17775 1181 1 2 . 1 1 107 107 GLN C C 382 177.550 177.550 178.617 -1.067 17775 1182 1 2 . 1 1 107 107 GLN CA C 382 58.170 58.170 58.969 -0.799 17775 1183 1 2 . 1 1 107 107 GLN CB C 382 28.770 28.770 28.700 0.070 17775 1184 1 2 . 1 1 107 107 GLN H H 382 7.710 7.710 7.842 -0.132 17775 1185 1 2 . 1 1 108 108 PHE N N 383 118.750 118.750 119.060 -0.310 17775 1186 1 2 . 1 1 108 108 PHE HA H 383 4.490 4.490 4.206 0.284 17775 1187 1 2 . 1 1 108 108 PHE C C 383 176.570 176.570 178.068 -1.498 17775 1188 1 2 . 1 1 108 108 PHE CA C 383 59.360 59.360 62.363 -3.003 17775 1189 1 2 . 1 1 108 108 PHE CB C 383 38.760 38.760 38.730 0.030 17775 1190 1 2 . 1 1 108 108 PHE H H 383 7.880 7.880 7.795 0.085 17775 1191 1 2 . 1 1 109 109 ILE N N 384 118.200 118.200 120.824 -2.624 17775 1192 1 2 . 1 1 109 109 ILE HA H 384 3.720 3.720 3.712 0.008 17775 1193 1 2 . 1 1 109 109 ILE C C 384 177.450 177.450 178.378 -0.928 17775 1194 1 2 . 1 1 109 109 ILE CA C 384 64.280 64.280 65.235 -0.955 17775 1195 1 2 . 1 1 109 109 ILE CB C 384 37.870 37.870 37.864 0.006 17775 1196 1 2 . 1 1 109 109 ILE H H 384 7.950 7.950 7.949 0.001 17775 1197 1 2 . 1 1 110 110 ASP N N 385 119.750 119.750 119.434 0.316 17775 1198 1 2 . 1 1 110 110 ASP HA H 385 4.440 4.440 4.421 0.019 17775 1199 1 2 . 1 1 110 110 ASP C C 385 177.620 177.620 178.347 -0.727 17775 1200 1 2 . 1 1 110 110 ASP CA C 385 56.500 56.500 57.362 -0.862 17775 1201 1 2 . 1 1 110 110 ASP CB C 385 40.860 40.860 40.759 0.101 17775 1202 1 2 . 1 1 110 110 ASP H H 385 7.840 7.840 7.994 -0.154 17775 1203 1 2 . 1 1 111 111 TYR N N 386 118.370 118.370 119.189 -0.819 17775 1204 1 2 . 1 1 111 111 TYR HA H 386 4.430 4.430 4.271 0.159 17775 1205 1 2 . 1 1 111 111 TYR C C 386 176.320 176.320 176.816 -0.496 17775 1206 1 2 . 1 1 111 111 TYR CA C 386 58.940 58.940 60.878 -1.938 17775 1207 1 2 . 1 1 111 111 TYR CB C 386 38.440 38.440 39.024 -0.584 17775 1208 1 2 . 1 1 111 111 TYR H H 386 7.760 7.760 7.871 -0.111 17775 1209 1 2 . 1 1 112 112 LEU N N 387 119.730 119.730 118.658 1.072 17775 1210 1 2 . 1 1 112 112 LEU HA H 387 4.230 4.230 4.344 -0.114 17775 1211 1 2 . 1 1 112 112 LEU C C 387 175.900 175.900 177.850 -1.950 17775 1212 1 2 . 1 1 112 112 LEU CA C 387 55.090 55.090 56.165 -1.075 17775 1213 1 2 . 1 1 112 112 LEU CB C 387 42.670 42.670 43.016 -0.346 17775 1214 1 2 . 1 1 112 112 LEU H H 387 7.660 7.660 7.955 -0.295 17775 1215 1 3 . 1 1 5 5 ILE HA H 280 4.190 4.190 3.842 0.348 17775 1216 1 3 . 1 1 5 5 ILE CA C 280 61.650 61.650 64.294 -2.644 17775 1217 1 3 . 1 1 5 5 ILE CB C 280 38.520 38.520 37.831 0.689 17775 1218 1 3 . 1 1 6 6 THR HA H 281 4.340 4.340 4.032 0.308 17775 1219 1 3 . 1 1 6 6 THR CA C 281 62.680 62.680 66.314 -3.635 17775 1220 1 3 . 1 1 6 6 THR CB C 281 69.630 69.630 68.388 1.242 17775 1221 1 3 . 1 1 8 8 PRO HA H 283 4.230 4.230 4.377 -0.147 17775 1222 1 3 . 1 1 8 8 PRO CA C 283 65.940 65.940 65.656 0.284 17775 1223 1 3 . 1 1 8 8 PRO CB C 283 30.730 30.730 30.738 -0.008 17775 1224 1 3 . 1 1 9 9 ILE N N 284 115.670 115.670 119.061 -3.391 17775 1225 1 3 . 1 1 9 9 ILE HA H 284 3.420 3.420 3.821 -0.401 17775 1226 1 3 . 1 1 9 9 ILE C C 284 177.820 177.820 178.254 -0.434 17775 1227 1 3 . 1 1 9 9 ILE CA C 284 65.540 65.540 63.766 1.774 17775 1228 1 3 . 1 1 9 9 ILE CB C 284 36.810 36.810 36.894 -0.084 17775 1229 1 3 . 1 1 9 9 ILE H H 284 7.300 7.300 7.089 0.211 17775 1230 1 3 . 1 1 10 10 ILE N N 285 121.880 121.880 120.704 1.176 17775 1231 1 3 . 1 1 10 10 ILE HA H 285 3.800 3.800 3.829 -0.029 17775 1232 1 3 . 1 1 10 10 ILE C C 285 177.690 177.690 179.011 -1.321 17775 1233 1 3 . 1 1 10 10 ILE CA C 285 62.880 62.880 63.254 -0.374 17775 1234 1 3 . 1 1 10 10 ILE CB C 285 36.560 36.560 36.297 0.263 17775 1235 1 3 . 1 1 10 10 ILE H H 285 7.880 7.880 7.805 0.075 17775 1236 1 3 . 1 1 11 11 GLU N N 286 120.580 120.580 120.069 0.511 17775 1237 1 3 . 1 1 11 11 GLU HA H 286 4.080 4.080 4.099 -0.019 17775 1238 1 3 . 1 1 11 11 GLU C C 286 180.980 180.980 179.652 1.328 17775 1239 1 3 . 1 1 11 11 GLU CA C 286 59.630 59.630 59.834 -0.204 17775 1240 1 3 . 1 1 11 11 GLU CB C 286 29.550 29.550 29.489 0.060 17775 1241 1 3 . 1 1 11 11 GLU H H 286 8.450 8.450 8.083 0.367 17775 1242 1 3 . 1 1 12 12 LEU N N 287 121.340 121.340 119.590 1.750 17775 1243 1 3 . 1 1 12 12 LEU HA H 287 4.010 4.010 4.079 -0.069 17775 1244 1 3 . 1 1 12 12 LEU C C 287 178.030 178.030 179.058 -1.028 17775 1245 1 3 . 1 1 12 12 LEU CA C 287 58.310 58.310 58.010 0.300 17775 1246 1 3 . 1 1 12 12 LEU CB C 287 42.050 42.050 41.876 0.174 17775 1247 1 3 . 1 1 12 12 LEU H H 287 8.490 8.490 7.963 0.527 17775 1248 1 3 . 1 1 13 13 SER N N 288 117.590 117.590 115.392 2.198 17775 1249 1 3 . 1 1 13 13 SER HA H 288 4.190 4.190 4.031 0.159 17775 1250 1 3 . 1 1 13 13 SER C C 288 175.660 175.660 176.792 -1.132 17775 1251 1 3 . 1 1 13 13 SER CA C 288 61.670 61.670 61.551 0.119 17775 1252 1 3 . 1 1 13 13 SER CB C 288 62.490 62.490 62.941 -0.451 17775 1253 1 3 . 1 1 13 13 SER H H 288 8.330 8.330 8.243 0.087 17775 1254 1 3 . 1 1 14 14 ASN N N 289 119.150 119.150 121.089 -1.939 17775 1255 1 3 . 1 1 14 14 ASN HA H 289 4.450 4.450 4.563 -0.113 17775 1256 1 3 . 1 1 14 14 ASN C C 289 178.480 178.480 177.860 0.620 17775 1257 1 3 . 1 1 14 14 ASN CA C 289 55.870 55.870 56.239 -0.369 17775 1258 1 3 . 1 1 14 14 ASN CB C 289 38.090 38.090 38.416 -0.326 17775 1259 1 3 . 1 1 14 14 ASN H H 289 8.650 8.650 8.271 0.379 17775 1260 1 3 . 1 1 15 15 THR N N 290 117.650 117.650 117.157 0.493 17775 1261 1 3 . 1 1 15 15 THR HA H 290 3.830 3.830 4.028 -0.198 17775 1262 1 3 . 1 1 15 15 THR C C 290 175.030 175.030 175.975 -0.945 17775 1263 1 3 . 1 1 15 15 THR CA C 290 67.790 67.790 66.375 1.415 17775 1264 1 3 . 1 1 15 15 THR CB C 290 68.660 68.660 68.359 0.301 17775 1265 1 3 . 1 1 15 15 THR H H 290 8.040 8.040 7.988 0.052 17775 1266 1 3 . 1 1 16 16 ALA N N 291 124.470 124.470 124.179 0.291 17775 1267 1 3 . 1 1 16 16 ALA HA H 291 3.850 3.850 3.931 -0.081 17775 1268 1 3 . 1 1 16 16 ALA C C 291 178.470 178.470 179.102 -0.632 17775 1269 1 3 . 1 1 16 16 ALA CA C 291 55.430 55.430 55.150 0.280 17775 1270 1 3 . 1 1 16 16 ALA CB C 291 17.820 17.820 18.183 -0.363 17775 1271 1 3 . 1 1 16 16 ALA H H 291 8.530 8.530 7.863 0.667 17775 1272 1 3 . 1 1 17 17 ASP N N 292 117.560 117.560 119.011 -1.451 17775 1273 1 3 . 1 1 17 17 ASP HA H 292 4.360 4.360 4.338 0.022 17775 1274 1 3 . 1 1 17 17 ASP C C 292 178.420 178.420 178.794 -0.374 17775 1275 1 3 . 1 1 17 17 ASP CA C 292 57.430 57.430 57.649 -0.219 17775 1276 1 3 . 1 1 17 17 ASP CB C 292 40.130 40.130 40.338 -0.208 17775 1277 1 3 . 1 1 17 17 ASP H H 292 8.290 8.290 8.006 0.284 17775 1278 1 3 . 1 1 18 18 LYS N N 293 119.100 119.100 119.871 -0.771 17775 1279 1 3 . 1 1 18 18 LYS HA H 293 4.010 4.010 4.008 0.002 17775 1280 1 3 . 1 1 18 18 LYS C C 293 180.170 180.170 179.052 1.118 17775 1281 1 3 . 1 1 18 18 LYS CA C 293 59.020 59.020 59.510 -0.490 17775 1282 1 3 . 1 1 18 18 LYS CB C 293 32.270 32.270 32.441 -0.171 17775 1283 1 3 . 1 1 18 18 LYS H H 293 7.690 7.690 7.529 0.161 17775 1284 1 3 . 1 1 19 19 ILE N N 294 122.510 122.510 119.821 2.689 17775 1285 1 3 . 1 1 19 19 ILE HA H 294 3.690 3.690 4.025 -0.335 17775 1286 1 3 . 1 1 19 19 ILE C C 294 178.920 178.920 178.717 0.203 17775 1287 1 3 . 1 1 19 19 ILE CA C 294 64.400 64.400 64.815 -0.415 17775 1288 1 3 . 1 1 19 19 ILE CB C 294 38.320 38.320 37.881 0.439 17775 1289 1 3 . 1 1 19 19 ILE H H 294 8.220 8.220 7.691 0.529 17775 1290 1 3 . 1 1 20 20 ALA N N 295 123.270 123.270 122.147 1.123 17775 1291 1 3 . 1 1 20 20 ALA HA H 295 3.850 3.850 4.071 -0.221 17775 1292 1 3 . 1 1 20 20 ALA C C 295 179.390 179.390 178.978 0.412 17775 1293 1 3 . 1 1 20 20 ALA CA C 295 55.370 55.370 54.841 0.529 17775 1294 1 3 . 1 1 20 20 ALA CB C 295 17.880 17.880 18.345 -0.465 17775 1295 1 3 . 1 1 20 20 ALA H H 295 8.580 8.580 7.813 0.767 17775 1296 1 3 . 1 1 21 21 GLU N N 296 115.530 115.530 116.382 -0.852 17775 1297 1 3 . 1 1 21 21 GLU HA H 296 4.160 4.160 4.185 -0.025 17775 1298 1 3 . 1 1 21 21 GLU C C 296 176.560 176.560 177.693 -1.133 17775 1299 1 3 . 1 1 21 21 GLU CA C 296 56.400 56.400 56.405 -0.005 17775 1300 1 3 . 1 1 21 21 GLU CB C 296 29.830 29.830 29.773 0.057 17775 1301 1 3 . 1 1 21 21 GLU H H 296 7.680 7.680 7.766 -0.086 17775 1302 1 3 . 1 1 22 22 GLY N N 297 105.910 105.910 107.778 -1.868 17775 1303 1 3 . 1 1 22 22 GLY C C 297 174.160 174.160 174.319 -0.159 17775 1304 1 3 . 1 1 22 22 GLY CA C 297 45.040 45.040 44.592 0.448 17775 1305 1 3 . 1 1 22 22 GLY H H 297 7.820 7.820 7.955 -0.135 17775 1306 1 3 . 1 1 23 23 ASN N N 298 120.260 120.260 121.490 -1.230 17775 1307 1 3 . 1 1 23 23 ASN HA H 298 4.960 4.960 4.961 -0.001 17775 1308 1 3 . 1 1 23 23 ASN C C 298 174.560 174.560 176.055 -1.495 17775 1309 1 3 . 1 1 23 23 ASN CA C 298 51.800 51.800 52.359 -0.559 17775 1310 1 3 . 1 1 23 23 ASN CB C 298 36.750 36.750 37.937 -1.187 17775 1311 1 3 . 1 1 23 23 ASN H H 298 8.070 8.070 8.072 -0.002 17775 1312 1 3 . 1 1 24 24 LEU N N 299 119.750 119.750 122.614 -2.864 17775 1313 1 3 . 1 1 24 24 LEU HA H 299 3.950 3.950 4.028 -0.078 17775 1314 1 3 . 1 1 24 24 LEU C C 299 176.390 176.390 178.243 -1.853 17775 1315 1 3 . 1 1 24 24 LEU CA C 299 56.250 56.250 57.703 -1.453 17775 1316 1 3 . 1 1 24 24 LEU CB C 299 41.260 41.260 41.720 -0.460 17775 1317 1 3 . 1 1 24 24 LEU H H 299 7.850 7.850 7.570 0.280 17775 1318 1 3 . 1 1 25 25 GLU N N 300 114.210 114.210 117.103 -2.893 17775 1319 1 3 . 1 1 25 25 GLU HA H 300 4.230 4.230 4.237 -0.007 17775 1320 1 3 . 1 1 25 25 GLU C C 300 176.050 176.050 175.914 0.136 17775 1321 1 3 . 1 1 25 25 GLU CA C 300 55.640 55.640 56.033 -0.393 17775 1322 1 3 . 1 1 25 25 GLU CB C 300 29.410 29.410 29.089 0.321 17775 1323 1 3 . 1 1 25 25 GLU H H 300 7.840 7.840 8.351 -0.511 17775 1324 1 3 . 1 1 26 26 ALA N N 301 124.010 124.010 124.336 -0.326 17775 1325 1 3 . 1 1 26 26 ALA HA H 301 3.880 3.880 4.159 -0.279 17775 1326 1 3 . 1 1 26 26 ALA C C 301 175.390 175.390 177.011 -1.621 17775 1327 1 3 . 1 1 26 26 ALA CA C 301 52.890 52.890 52.439 0.451 17775 1328 1 3 . 1 1 26 26 ALA CB C 301 18.570 18.570 18.649 -0.079 17775 1329 1 3 . 1 1 26 26 ALA H H 301 6.770 6.770 7.380 -0.610 17775 1330 1 3 . 1 1 27 27 GLU N N 302 120.120 120.120 123.982 -3.862 17775 1331 1 3 . 1 1 27 27 GLU HA H 302 4.080 4.080 4.207 -0.127 17775 1332 1 3 . 1 1 27 27 GLU C C 302 176.510 176.510 176.027 0.483 17775 1333 1 3 . 1 1 27 27 GLU CA C 302 55.150 55.150 56.010 -0.860 17775 1334 1 3 . 1 1 27 27 GLU CB C 302 30.160 30.160 30.033 0.127 17775 1335 1 3 . 1 1 27 27 GLU H H 302 7.880 7.880 8.426 -0.546 17775 1336 1 3 . 1 1 28 28 VAL N N 303 129.020 129.020 125.444 3.576 17775 1337 1 3 . 1 1 28 28 VAL HA H 303 4.230 4.230 4.224 0.006 17775 1338 1 3 . 1 1 28 28 VAL CA C 303 60.440 60.440 59.576 0.864 17775 1339 1 3 . 1 1 28 28 VAL CB C 303 31.760 31.760 31.443 0.317 17775 1340 1 3 . 1 1 28 28 VAL H H 303 8.890 8.890 8.088 0.802 17775 1341 1 3 . 1 1 29 29 PRO HA H 304 4.400 4.400 4.539 -0.139 17775 1342 1 3 . 1 1 29 29 PRO CA C 304 62.790 62.790 61.787 1.003 17775 1343 1 3 . 1 1 29 29 PRO CB C 304 32.120 32.120 33.158 -1.038 17775 1344 1 3 . 1 1 30 30 HIS N N 305 103.640 103.640 111.282 -7.642 17775 1345 1 3 . 1 1 30 30 HIS HA H 305 4.210 4.210 4.187 0.023 17775 1346 1 3 . 1 1 30 30 HIS C C 305 175.590 175.590 176.672 -1.082 17775 1347 1 3 . 1 1 30 30 HIS CA C 305 57.950 57.950 57.779 0.171 17775 1348 1 3 . 1 1 30 30 HIS CB C 305 27.910 27.910 27.056 0.854 17775 1349 1 3 . 1 1 30 30 HIS H H 305 7.780 7.780 8.408 -0.628 17775 1350 1 3 . 1 1 31 31 GLN N N 306 114.840 114.840 117.963 -3.123 17775 1351 1 3 . 1 1 31 31 GLN HA H 306 3.990 3.990 4.135 -0.145 17775 1352 1 3 . 1 1 31 31 GLN C C 306 176.290 176.290 176.676 -0.386 17775 1353 1 3 . 1 1 31 31 GLN CA C 306 58.680 58.680 58.158 0.522 17775 1354 1 3 . 1 1 31 31 GLN CB C 306 30.630 30.630 28.779 1.851 17775 1355 1 3 . 1 1 31 31 GLN H H 306 8.010 8.010 8.732 -0.722 17775 1356 1 3 . 1 1 32 32 ASN N N 307 113.230 113.230 113.953 -0.723 17775 1357 1 3 . 1 1 32 32 ASN HA H 307 4.640 4.640 4.606 0.034 17775 1358 1 3 . 1 1 32 32 ASN C C 307 175.610 175.610 175.804 -0.194 17775 1359 1 3 . 1 1 32 32 ASN CA C 307 52.800 52.800 53.457 -0.657 17775 1360 1 3 . 1 1 32 32 ASN CB C 307 37.630 37.630 38.072 -0.442 17775 1361 1 3 . 1 1 32 32 ASN H H 307 8.360 8.360 8.072 0.288 17775 1362 1 3 . 1 1 33 33 ARG N N 308 119.580 119.580 121.286 -1.706 17775 1363 1 3 . 1 1 33 33 ARG HA H 308 4.140 4.140 4.288 -0.148 17775 1364 1 3 . 1 1 33 33 ARG CA C 308 56.950 56.950 56.457 0.493 17775 1365 1 3 . 1 1 33 33 ARG CB C 308 33.030 33.030 30.976 2.054 17775 1366 1 3 . 1 1 33 33 ARG H H 308 7.160 7.160 7.538 -0.378 17775 1367 1 3 . 1 1 34 34 ALA HA H 309 4.530 4.530 4.283 0.247 17775 1368 1 3 . 1 1 34 34 ALA C C 309 176.610 176.610 177.040 -0.430 17775 1369 1 3 . 1 1 34 34 ALA CA C 309 51.650 51.650 52.679 -1.029 17775 1370 1 3 . 1 1 34 34 ALA CB C 309 18.830 18.830 19.170 -0.340 17775 1371 1 3 . 1 1 35 35 ASP N N 310 117.680 117.680 118.839 -1.159 17775 1372 1 3 . 1 1 35 35 ASP HA H 310 4.660 4.660 4.642 0.018 17775 1373 1 3 . 1 1 35 35 ASP C C 310 176.740 176.740 177.085 -0.345 17775 1374 1 3 . 1 1 35 35 ASP CA C 310 52.240 52.240 52.905 -0.665 17775 1375 1 3 . 1 1 35 35 ASP CB C 310 41.580 41.580 40.641 0.939 17775 1376 1 3 . 1 1 35 35 ASP H H 310 7.460 7.460 7.699 -0.239 17775 1377 1 3 . 1 1 36 36 GLU N N 311 118.110 118.110 117.324 0.786 17775 1378 1 3 . 1 1 36 36 GLU HA H 311 3.870 3.870 4.060 -0.190 17775 1379 1 3 . 1 1 36 36 GLU C C 311 177.440 177.440 178.400 -0.960 17775 1380 1 3 . 1 1 36 36 GLU CA C 311 60.460 60.460 59.801 0.659 17775 1381 1 3 . 1 1 36 36 GLU CB C 311 27.660 27.660 29.364 -1.704 17775 1382 1 3 . 1 1 36 36 GLU H H 311 9.910 9.910 8.665 1.245 17775 1383 1 3 . 1 1 37 37 ILE N N 312 118.790 118.790 119.426 -0.636 17775 1384 1 3 . 1 1 37 37 ILE HA H 312 3.570 3.570 3.872 -0.302 17775 1385 1 3 . 1 1 37 37 ILE C C 312 177.460 177.460 178.162 -0.702 17775 1386 1 3 . 1 1 37 37 ILE CA C 312 63.170 63.170 62.806 0.364 17775 1387 1 3 . 1 1 37 37 ILE CB C 312 35.770 35.770 36.627 -0.857 17775 1388 1 3 . 1 1 37 37 ILE H H 312 7.420 7.420 7.605 -0.185 17775 1389 1 3 . 1 1 38 38 GLY N N 313 108.320 108.320 109.194 -0.874 17775 1390 1 3 . 1 1 38 38 GLY C C 313 176.200 176.200 176.182 0.018 17775 1391 1 3 . 1 1 38 38 GLY CA C 313 47.090 47.090 47.361 -0.271 17775 1392 1 3 . 1 1 38 38 GLY H H 313 7.510 7.510 7.892 -0.382 17775 1393 1 3 . 1 1 39 39 ILE N N 314 121.890 121.890 122.523 -0.633 17775 1394 1 3 . 1 1 39 39 ILE HA H 314 3.630 3.630 3.693 -0.063 17775 1395 1 3 . 1 1 39 39 ILE C C 314 179.070 179.070 177.555 1.515 17775 1396 1 3 . 1 1 39 39 ILE CA C 314 64.750 64.750 65.056 -0.306 17775 1397 1 3 . 1 1 39 39 ILE CB C 314 37.610 37.610 38.001 -0.391 17775 1398 1 3 . 1 1 39 39 ILE H H 314 7.390 7.390 7.691 -0.301 17775 1399 1 3 . 1 1 40 40 LEU N N 315 121.370 121.370 121.392 -0.022 17775 1400 1 3 . 1 1 40 40 LEU HA H 315 4.120 4.120 4.053 0.067 17775 1401 1 3 . 1 1 40 40 LEU C C 315 178.560 178.560 178.157 0.403 17775 1402 1 3 . 1 1 40 40 LEU CA C 315 57.620 57.620 57.793 -0.173 17775 1403 1 3 . 1 1 40 40 LEU CB C 315 41.490 41.490 41.574 -0.084 17775 1404 1 3 . 1 1 40 40 LEU H H 315 7.770 7.770 7.868 -0.098 17775 1405 1 3 . 1 1 41 41 ALA N N 316 123.480 123.480 121.775 1.705 17775 1406 1 3 . 1 1 41 41 ALA HA H 316 3.840 3.840 3.953 -0.113 17775 1407 1 3 . 1 1 41 41 ALA C C 316 179.700 179.700 179.622 0.078 17775 1408 1 3 . 1 1 41 41 ALA CA C 316 56.180 56.180 55.463 0.717 17775 1409 1 3 . 1 1 41 41 ALA CB C 316 19.870 19.870 18.403 1.467 17775 1410 1 3 . 1 1 41 41 ALA H H 316 9.020 9.020 7.984 1.036 17775 1411 1 3 . 1 1 42 42 LYS N N 317 116.890 116.890 118.449 -1.559 17775 1412 1 3 . 1 1 42 42 LYS HA H 317 3.900 3.900 3.990 -0.090 17775 1413 1 3 . 1 1 42 42 LYS C C 317 179.730 179.730 179.127 0.603 17775 1414 1 3 . 1 1 42 42 LYS CA C 317 60.430 60.430 59.507 0.923 17775 1415 1 3 . 1 1 42 42 LYS H H 317 8.320 8.320 7.879 0.441 17775 1416 1 3 . 1 1 43 43 SER N N 318 119.130 119.130 115.589 3.541 17775 1417 1 3 . 1 1 43 43 SER HA H 318 4.340 4.340 4.192 0.148 17775 1418 1 3 . 1 1 43 43 SER C C 318 177.430 177.430 176.738 0.692 17775 1419 1 3 . 1 1 43 43 SER CA C 318 62.630 62.630 61.757 0.873 17775 1420 1 3 . 1 1 43 43 SER CB C 318 63.050 63.050 62.976 0.074 17775 1421 1 3 . 1 1 43 43 SER H H 318 8.060 8.060 7.965 0.095 17775 1422 1 3 . 1 1 44 44 ILE N N 319 124.020 124.020 123.174 0.846 17775 1423 1 3 . 1 1 44 44 ILE HA H 319 3.640 3.640 3.692 -0.052 17775 1424 1 3 . 1 1 44 44 ILE C C 319 177.190 177.190 177.869 -0.679 17775 1425 1 3 . 1 1 44 44 ILE CA C 319 65.020 65.020 65.121 -0.101 17775 1426 1 3 . 1 1 44 44 ILE CB C 319 36.790 36.790 37.675 -0.885 17775 1427 1 3 . 1 1 44 44 ILE H H 319 8.250 8.250 7.680 0.570 17775 1428 1 3 . 1 1 45 45 GLU N N 320 123.090 123.090 120.678 2.412 17775 1429 1 3 . 1 1 45 45 GLU HA H 320 4.600 4.600 3.963 0.637 17775 1430 1 3 . 1 1 45 45 GLU C C 320 178.190 178.190 178.690 -0.500 17775 1431 1 3 . 1 1 45 45 GLU CA C 320 58.430 58.430 59.476 -1.046 17775 1432 1 3 . 1 1 45 45 GLU CB C 320 27.700 27.700 29.236 -1.536 17775 1433 1 3 . 1 1 45 45 GLU H H 320 8.390 8.390 8.072 0.318 17775 1434 1 3 . 1 1 46 46 ARG N N 321 119.760 119.760 119.099 0.661 17775 1435 1 3 . 1 1 46 46 ARG HA H 321 3.930 3.930 3.964 -0.034 17775 1436 1 3 . 1 1 46 46 ARG C C 321 179.950 179.950 178.771 1.179 17775 1437 1 3 . 1 1 46 46 ARG CA C 321 60.440 60.440 59.680 0.760 17775 1438 1 3 . 1 1 46 46 ARG CB C 321 29.770 29.770 30.203 -0.433 17775 1439 1 3 . 1 1 46 46 ARG H H 321 8.000 8.000 7.892 0.108 17775 1440 1 3 . 1 1 47 47 LEU N N 322 121.360 121.360 119.383 1.977 17775 1441 1 3 . 1 1 47 47 LEU HA H 322 4.020 4.020 4.023 -0.003 17775 1442 1 3 . 1 1 47 47 LEU C C 322 178.040 178.040 178.692 -0.652 17775 1443 1 3 . 1 1 47 47 LEU CA C 322 58.550 58.550 58.004 0.546 17775 1444 1 3 . 1 1 47 47 LEU CB C 322 41.650 41.650 41.513 0.138 17775 1445 1 3 . 1 1 47 47 LEU H H 322 7.870 7.870 7.797 0.073 17775 1446 1 3 . 1 1 48 48 ARG N N 323 121.390 121.390 119.521 1.869 17775 1447 1 3 . 1 1 48 48 ARG HA H 323 3.690 3.690 3.935 -0.245 17775 1448 1 3 . 1 1 48 48 ARG C C 323 178.120 178.120 178.499 -0.379 17775 1449 1 3 . 1 1 48 48 ARG CA C 323 60.630 60.630 59.789 0.841 17775 1450 1 3 . 1 1 48 48 ARG CB C 323 30.230 30.230 30.004 0.226 17775 1451 1 3 . 1 1 48 48 ARG H H 323 8.730 8.730 7.923 0.807 17775 1452 1 3 . 1 1 49 49 ARG N N 324 116.720 116.720 118.766 -2.046 17775 1453 1 3 . 1 1 49 49 ARG HA H 324 3.840 3.840 3.985 -0.145 17775 1454 1 3 . 1 1 49 49 ARG C C 324 179.060 179.060 178.714 0.346 17775 1455 1 3 . 1 1 49 49 ARG CA C 324 59.930 59.930 59.866 0.064 17775 1456 1 3 . 1 1 49 49 ARG CB C 324 29.830 29.830 30.028 -0.198 17775 1457 1 3 . 1 1 49 49 ARG H H 324 8.550 8.550 8.179 0.371 17775 1458 1 3 . 1 1 50 50 SER N N 325 117.600 117.600 116.143 1.457 17775 1459 1 3 . 1 1 50 50 SER HA H 325 4.120 4.120 4.234 -0.114 17775 1460 1 3 . 1 1 50 50 SER C C 325 176.050 176.050 176.703 -0.653 17775 1461 1 3 . 1 1 50 50 SER CA C 325 62.630 62.630 62.242 0.388 17775 1462 1 3 . 1 1 50 50 SER CB C 325 62.950 62.950 62.999 -0.049 17775 1463 1 3 . 1 1 50 50 SER H H 325 8.170 8.170 7.802 0.368 17775 1464 1 3 . 1 1 51 51 LEU N N 326 123.730 123.730 122.073 1.657 17775 1465 1 3 . 1 1 51 51 LEU HA H 326 3.990 3.990 3.963 0.027 17775 1466 1 3 . 1 1 51 51 LEU C C 326 177.380 177.380 178.491 -1.111 17775 1467 1 3 . 1 1 51 51 LEU CA C 326 58.580 58.580 58.060 0.520 17775 1468 1 3 . 1 1 51 51 LEU CB C 326 42.190 42.190 41.643 0.547 17775 1469 1 3 . 1 1 51 51 LEU H H 326 8.190 8.190 7.826 0.364 17775 1470 1 3 . 1 1 52 52 LYS N N 327 119.170 119.170 119.226 -0.056 17775 1471 1 3 . 1 1 52 52 LYS HA H 327 3.860 3.860 3.864 -0.004 17775 1472 1 3 . 1 1 52 52 LYS C C 327 179.050 179.050 179.047 0.003 17775 1473 1 3 . 1 1 52 52 LYS CA C 327 59.700 59.700 59.727 -0.027 17775 1474 1 3 . 1 1 52 52 LYS CB C 327 32.020 32.020 32.306 -0.286 17775 1475 1 3 . 1 1 52 52 LYS H H 327 8.580 8.580 7.871 0.709 17775 1476 1 3 . 1 1 53 53 GLN N N 328 118.180 118.180 119.024 -0.844 17775 1477 1 3 . 1 1 53 53 GLN HA H 328 4.080 4.080 4.016 0.064 17775 1478 1 3 . 1 1 53 53 GLN C C 328 177.960 177.960 178.552 -0.592 17775 1479 1 3 . 1 1 53 53 GLN CA C 328 58.690 58.690 59.157 -0.467 17775 1480 1 3 . 1 1 53 53 GLN CB C 328 28.450 28.450 28.861 -0.411 17775 1481 1 3 . 1 1 53 53 GLN H H 328 8.080 8.080 7.981 0.099 17775 1482 1 3 . 1 1 54 54 LEU N N 329 118.740 118.740 119.850 -1.110 17775 1483 1 3 . 1 1 54 54 LEU HA H 329 4.150 4.150 3.951 0.199 17775 1484 1 3 . 1 1 54 54 LEU C C 329 179.580 179.580 178.696 0.884 17775 1485 1 3 . 1 1 54 54 LEU CA C 329 58.080 58.080 57.739 0.342 17775 1486 1 3 . 1 1 54 54 LEU CB C 329 42.620 42.620 41.692 0.928 17775 1487 1 3 . 1 1 54 54 LEU H H 329 7.680 7.680 7.992 -0.312 17775 1488 1 3 . 1 1 55 55 ALA N N 330 123.330 123.330 122.248 1.082 17775 1489 1 3 . 1 1 55 55 ALA HA H 330 4.050 4.050 3.922 0.128 17775 1490 1 3 . 1 1 55 55 ALA C C 330 180.530 180.530 179.464 1.066 17775 1491 1 3 . 1 1 55 55 ALA CA C 330 55.630 55.630 55.462 0.168 17775 1492 1 3 . 1 1 55 55 ALA CB C 330 18.320 18.320 18.017 0.303 17775 1493 1 3 . 1 1 55 55 ALA H H 330 8.390 8.390 7.952 0.438 17775 1494 1 3 . 1 1 56 56 ASP N N 331 121.350 121.350 118.925 2.425 17775 1495 1 3 . 1 1 56 56 ASP HA H 331 4.420 4.420 4.351 0.069 17775 1496 1 3 . 1 1 56 56 ASP C C 331 179.100 179.100 178.443 0.657 17775 1497 1 3 . 1 1 56 56 ASP CA C 331 57.430 57.430 57.622 -0.192 17775 1498 1 3 . 1 1 56 56 ASP CB C 331 39.630 39.630 40.159 -0.529 17775 1499 1 3 . 1 1 56 56 ASP H H 331 8.820 8.820 7.953 0.867 17775 1500 1 3 . 1 1 57 57 ASP N N 332 121.570 121.570 120.486 1.084 17775 1501 1 3 . 1 1 57 57 ASP HA H 332 4.490 4.490 4.368 0.122 17775 1502 1 3 . 1 1 57 57 ASP C C 332 179.080 179.080 178.434 0.646 17775 1503 1 3 . 1 1 57 57 ASP CA C 332 57.380 57.380 57.440 -0.060 17775 1504 1 3 . 1 1 57 57 ASP CB C 332 40.440 40.440 40.672 -0.232 17775 1505 1 3 . 1 1 57 57 ASP H H 332 8.420 8.420 8.193 0.227 17775 1506 1 3 . 1 1 58 58 ARG N N 333 120.250 120.250 120.089 0.161 17775 1507 1 3 . 1 1 58 58 ARG HA H 333 3.940 3.940 3.964 -0.024 17775 1508 1 3 . 1 1 58 58 ARG C C 333 177.770 177.770 178.531 -0.761 17775 1509 1 3 . 1 1 58 58 ARG CA C 333 58.790 58.790 59.671 -0.881 17775 1510 1 3 . 1 1 58 58 ARG CB C 333 30.300 30.300 30.356 -0.056 17775 1511 1 3 . 1 1 58 58 ARG H H 333 7.900 7.900 7.800 0.100 17775 1512 1 3 . 1 1 59 59 THR N N 334 115.160 115.160 116.509 -1.349 17775 1513 1 3 . 1 1 59 59 THR HA H 334 3.960 3.960 4.002 -0.042 17775 1514 1 3 . 1 1 59 59 THR C C 334 176.690 176.690 176.573 0.117 17775 1515 1 3 . 1 1 59 59 THR CA C 334 66.430 66.430 67.110 -0.680 17775 1516 1 3 . 1 1 59 59 THR CB C 334 68.720 68.720 68.702 0.018 17775 1517 1 3 . 1 1 59 59 THR H H 334 7.940 7.940 7.581 0.359 17775 1518 1 3 . 1 1 60 60 LEU N N 335 123.040 123.040 121.593 1.447 17775 1519 1 3 . 1 1 60 60 LEU HA H 335 4.070 4.070 3.953 0.117 17775 1520 1 3 . 1 1 60 60 LEU C C 335 180.040 180.040 178.737 1.303 17775 1521 1 3 . 1 1 60 60 LEU CA C 335 57.690 57.690 57.880 -0.190 17775 1522 1 3 . 1 1 60 60 LEU CB C 335 41.810 41.810 41.632 0.178 17775 1523 1 3 . 1 1 60 60 LEU H H 335 7.860 7.860 7.894 -0.034 17775 1524 1 3 . 1 1 61 61 LEU N N 336 121.600 121.600 120.242 1.358 17775 1525 1 3 . 1 1 61 61 LEU HA H 336 4.020 4.020 3.886 0.134 17775 1526 1 3 . 1 1 61 61 LEU C C 336 179.360 179.360 178.460 0.900 17775 1527 1 3 . 1 1 61 61 LEU CA C 336 57.900 57.900 58.236 -0.336 17775 1528 1 3 . 1 1 61 61 LEU CB C 336 41.970 41.970 41.823 0.147 17775 1529 1 3 . 1 1 61 61 LEU H H 336 8.180 8.180 7.985 0.195 17775 1530 1 3 . 1 1 62 62 MET N N 337 116.900 116.900 118.719 -1.819 17775 1531 1 3 . 1 1 62 62 MET HA H 337 4.110 4.110 3.868 0.242 17775 1532 1 3 . 1 1 62 62 MET C C 337 179.750 179.750 177.957 1.793 17775 1533 1 3 . 1 1 62 62 MET CA C 337 57.850 57.850 59.216 -1.366 17775 1534 1 3 . 1 1 62 62 MET CB C 337 32.200 32.200 32.454 -0.254 17775 1535 1 3 . 1 1 62 62 MET H H 337 8.160 8.160 7.632 0.528 17775 1536 1 3 . 1 1 63 63 ALA N N 338 122.990 122.990 120.497 2.493 17775 1537 1 3 . 1 1 63 63 ALA HA H 338 4.110 4.110 4.021 0.089 17775 1538 1 3 . 1 1 63 63 ALA C C 338 180.420 180.420 179.524 0.896 17775 1539 1 3 . 1 1 63 63 ALA CA C 338 55.270 55.270 55.322 -0.052 17775 1540 1 3 . 1 1 63 63 ALA CB C 338 17.960 17.960 18.017 -0.057 17775 1541 1 3 . 1 1 63 63 ALA H H 338 8.090 8.090 7.800 0.290 17775 1542 1 3 . 1 1 64 64 GLY N N 339 106.980 106.980 106.908 0.072 17775 1543 1 3 . 1 1 64 64 GLY C C 339 175.240 175.240 176.184 -0.944 17775 1544 1 3 . 1 1 64 64 GLY CA C 339 47.190 47.190 47.198 -0.008 17775 1545 1 3 . 1 1 64 64 GLY H H 339 8.070 8.070 7.963 0.107 17775 1546 1 3 . 1 1 65 65 VAL N N 340 120.660 120.660 122.156 -1.496 17775 1547 1 3 . 1 1 65 65 VAL HA H 340 3.780 3.780 3.599 0.181 17775 1548 1 3 . 1 1 65 65 VAL C C 340 176.960 176.960 178.184 -1.224 17775 1549 1 3 . 1 1 65 65 VAL CA C 340 65.620 65.620 66.545 -0.925 17775 1550 1 3 . 1 1 65 65 VAL CB C 340 31.690 31.690 31.439 0.251 17775 1551 1 3 . 1 1 65 65 VAL H H 340 8.100 8.100 7.755 0.345 17775 1552 1 3 . 1 1 66 66 SER N N 341 112.150 112.150 115.529 -3.379 17775 1553 1 3 . 1 1 66 66 SER HA H 341 4.000 4.000 4.034 -0.034 17775 1554 1 3 . 1 1 66 66 SER C C 341 175.860 175.860 176.640 -0.780 17775 1555 1 3 . 1 1 66 66 SER CA C 341 61.240 61.240 62.066 -0.825 17775 1556 1 3 . 1 1 66 66 SER CB C 341 63.260 63.260 62.976 0.284 17775 1557 1 3 . 1 1 66 66 SER H H 341 7.810 7.810 7.746 0.064 17775 1558 1 3 . 1 1 67 67 HIS N N 342 118.910 118.910 121.199 -2.289 17775 1559 1 3 . 1 1 67 67 HIS HA H 342 4.440 4.440 4.260 0.180 17775 1560 1 3 . 1 1 67 67 HIS C C 342 177.780 177.780 178.041 -0.261 17775 1561 1 3 . 1 1 67 67 HIS CA C 342 59.160 59.160 59.989 -0.829 17775 1562 1 3 . 1 1 67 67 HIS CB C 342 30.400 30.400 30.077 0.323 17775 1563 1 3 . 1 1 67 67 HIS H H 342 7.830 7.830 7.867 -0.037 17775 1564 1 3 . 1 1 68 68 ASP N N 343 120.590 120.590 120.050 0.540 17775 1565 1 3 . 1 1 68 68 ASP HA H 343 4.440 4.440 4.440 -0.000 17775 1566 1 3 . 1 1 68 68 ASP C C 343 178.470 178.470 178.932 -0.462 17775 1567 1 3 . 1 1 68 68 ASP CA C 343 57.500 57.500 57.318 0.182 17775 1568 1 3 . 1 1 68 68 ASP CB C 343 39.880 39.880 40.418 -0.538 17775 1569 1 3 . 1 1 68 68 ASP H H 343 8.580 8.580 7.999 0.581 17775 1570 1 3 . 1 1 69 69 LEU N N 344 117.900 117.900 119.690 -1.790 17775 1571 1 3 . 1 1 69 69 LEU HA H 344 4.190 4.190 3.978 0.212 17775 1572 1 3 . 1 1 69 69 LEU C C 344 177.010 177.010 178.492 -1.482 17775 1573 1 3 . 1 1 69 69 LEU CA C 344 56.810 56.810 57.511 -0.701 17775 1574 1 3 . 1 1 69 69 LEU CB C 344 43.300 43.300 41.612 1.688 17775 1575 1 3 . 1 1 69 69 LEU H H 344 8.300 8.300 7.976 0.324 17775 1576 1 3 . 1 1 70 70 ARG N N 345 114.380 114.380 117.888 -3.508 17775 1577 1 3 . 1 1 70 70 ARG HA H 345 3.930 3.930 3.898 0.032 17775 1578 1 3 . 1 1 70 70 ARG C C 345 178.840 178.840 178.521 0.319 17775 1579 1 3 . 1 1 70 70 ARG CA C 345 59.420 59.420 59.862 -0.442 17775 1580 1 3 . 1 1 70 70 ARG CB C 345 30.210 30.210 29.732 0.478 17775 1581 1 3 . 1 1 70 70 ARG H H 345 7.280 7.280 7.739 -0.459 17775 1582 1 3 . 1 1 71 71 THR N N 346 115.370 115.370 115.425 -0.055 17775 1583 1 3 . 1 1 71 71 THR HA H 346 4.060 4.060 4.214 -0.154 17775 1584 1 3 . 1 1 71 71 THR CA C 346 68.800 68.800 67.965 0.835 17775 1585 1 3 . 1 1 71 71 THR CB C 346 66.590 66.590 66.569 0.021 17775 1586 1 3 . 1 1 71 71 THR H H 346 7.540 7.540 7.617 -0.077 17775 1587 1 3 . 1 1 72 72 PRO HA H 347 4.090 4.090 4.307 -0.217 17775 1588 1 3 . 1 1 72 72 PRO CA C 347 65.860 65.860 65.633 0.227 17775 1589 1 3 . 1 1 72 72 PRO CB C 347 31.380 31.380 31.284 0.096 17775 1590 1 3 . 1 1 73 73 LEU N N 348 114.830 114.830 119.032 -4.202 17775 1591 1 3 . 1 1 73 73 LEU HA H 348 3.950 3.950 3.913 0.037 17775 1592 1 3 . 1 1 73 73 LEU C C 348 179.120 179.120 179.406 -0.286 17775 1593 1 3 . 1 1 73 73 LEU CA C 348 58.450 58.450 58.100 0.350 17775 1594 1 3 . 1 1 73 73 LEU CB C 348 41.320 41.320 41.645 -0.325 17775 1595 1 3 . 1 1 73 73 LEU H H 348 6.970 6.970 7.743 -0.773 17775 1596 1 3 . 1 1 74 74 THR N N 349 116.230 116.230 114.263 1.967 17775 1597 1 3 . 1 1 74 74 THR HA H 349 3.880 3.880 3.903 -0.023 17775 1598 1 3 . 1 1 74 74 THR C C 349 176.100 176.100 176.749 -0.649 17775 1599 1 3 . 1 1 74 74 THR CA C 349 66.760 66.760 66.749 0.011 17775 1600 1 3 . 1 1 74 74 THR CB C 349 68.770 68.770 68.366 0.404 17775 1601 1 3 . 1 1 74 74 THR H H 349 8.090 8.090 7.969 0.121 17775 1602 1 3 . 1 1 75 75 ARG N N 350 121.190 121.190 122.328 -1.138 17775 1603 1 3 . 1 1 75 75 ARG HA H 350 3.970 3.970 4.038 -0.068 17775 1604 1 3 . 1 1 75 75 ARG C C 350 180.130 180.130 178.659 1.471 17775 1605 1 3 . 1 1 75 75 ARG CA C 350 61.030 61.030 59.554 1.476 17775 1606 1 3 . 1 1 75 75 ARG CB C 350 31.080 31.080 29.977 1.103 17775 1607 1 3 . 1 1 75 75 ARG H H 350 7.570 7.570 7.561 0.009 17775 1608 1 3 . 1 1 76 76 ILE N N 351 122.150 122.150 119.673 2.477 17775 1609 1 3 . 1 1 76 76 ILE HA H 351 3.700 3.700 3.616 0.084 17775 1610 1 3 . 1 1 76 76 ILE C C 351 177.070 177.070 177.759 -0.689 17775 1611 1 3 . 1 1 76 76 ILE CA C 351 65.560 65.560 65.174 0.386 17775 1612 1 3 . 1 1 76 76 ILE CB C 351 37.650 37.650 37.575 0.075 17775 1613 1 3 . 1 1 76 76 ILE H H 351 8.060 8.060 7.824 0.236 17775 1614 1 3 . 1 1 77 77 ARG N N 352 120.120 120.120 120.486 -0.366 17775 1615 1 3 . 1 1 77 77 ARG HA H 352 3.930 3.930 4.031 -0.101 17775 1616 1 3 . 1 1 77 77 ARG C C 352 179.580 179.580 178.986 0.594 17775 1617 1 3 . 1 1 77 77 ARG CA C 352 59.340 59.340 59.475 -0.135 17775 1618 1 3 . 1 1 77 77 ARG CB C 352 29.690 29.690 30.211 -0.521 17775 1619 1 3 . 1 1 77 77 ARG H H 352 7.700 7.700 7.671 0.029 17775 1620 1 3 . 1 1 78 78 LEU N N 353 119.970 119.970 119.376 0.594 17775 1621 1 3 . 1 1 78 78 LEU HA H 353 4.000 4.000 3.983 0.017 17775 1622 1 3 . 1 1 78 78 LEU C C 353 179.600 179.600 178.754 0.846 17775 1623 1 3 . 1 1 78 78 LEU CA C 353 57.910 57.910 57.666 0.244 17775 1624 1 3 . 1 1 78 78 LEU CB C 353 41.430 41.430 41.873 -0.443 17775 1625 1 3 . 1 1 78 78 LEU H H 353 8.260 8.260 7.820 0.440 17775 1626 1 3 . 1 1 79 79 ALA N N 354 122.390 122.390 120.535 1.855 17775 1627 1 3 . 1 1 79 79 ALA HA H 354 4.070 4.070 3.993 0.077 17775 1628 1 3 . 1 1 79 79 ALA C C 354 180.620 180.620 179.429 1.191 17775 1629 1 3 . 1 1 79 79 ALA CA C 354 55.270 55.270 55.159 0.111 17775 1630 1 3 . 1 1 79 79 ALA CB C 354 18.030 18.030 18.470 -0.439 17775 1631 1 3 . 1 1 79 79 ALA H H 354 7.850 7.850 7.895 -0.045 17775 1632 1 3 . 1 1 80 80 THR N N 355 107.540 107.540 110.546 -3.006 17775 1633 1 3 . 1 1 80 80 THR HA H 355 3.990 3.990 4.027 -0.037 17775 1634 1 3 . 1 1 80 80 THR C C 355 177.250 177.250 176.207 1.043 17775 1635 1 3 . 1 1 80 80 THR CA C 355 64.970 64.970 65.295 -0.325 17775 1636 1 3 . 1 1 80 80 THR CB C 355 69.020 69.020 68.340 0.680 17775 1637 1 3 . 1 1 80 80 THR H H 355 7.930 7.930 7.973 -0.043 17775 1638 1 3 . 1 1 81 81 GLU N N 356 120.380 120.380 118.612 1.768 17775 1639 1 3 . 1 1 81 81 GLU HA H 356 4.090 4.090 4.238 -0.148 17775 1640 1 3 . 1 1 81 81 GLU C C 356 177.280 177.280 177.479 -0.199 17775 1641 1 3 . 1 1 81 81 GLU CA C 356 58.020 58.020 57.462 0.558 17775 1642 1 3 . 1 1 81 81 GLU CB C 356 29.490 29.490 29.617 -0.127 17775 1643 1 3 . 1 1 81 81 GLU H H 356 7.380 7.380 7.521 -0.141 17775 1644 1 3 . 1 1 82 82 MET N N 357 115.510 115.510 117.051 -1.541 17775 1645 1 3 . 1 1 82 82 MET HA H 357 4.480 4.480 4.288 0.192 17775 1646 1 3 . 1 1 82 82 MET C C 357 176.140 176.140 176.896 -0.756 17775 1647 1 3 . 1 1 82 82 MET CA C 357 54.810 54.810 56.267 -1.457 17775 1648 1 3 . 1 1 82 82 MET CB C 357 32.660 32.660 33.600 -0.940 17775 1649 1 3 . 1 1 82 82 MET H H 357 7.480 7.480 7.390 0.090 17775 1650 1 3 . 1 1 83 83 MET N N 358 119.530 119.530 119.138 0.392 17775 1651 1 3 . 1 1 83 83 MET HA H 358 4.020 4.020 4.286 -0.266 17775 1652 1 3 . 1 1 83 83 MET C C 358 175.670 175.670 175.912 -0.242 17775 1653 1 3 . 1 1 83 83 MET CA C 358 57.430 57.430 55.981 1.449 17775 1654 1 3 . 1 1 83 83 MET CB C 358 33.860 33.860 33.003 0.857 17775 1655 1 3 . 1 1 83 83 MET H H 358 7.010 7.010 7.401 -0.391 17775 1656 1 3 . 1 1 84 84 SER N N 359 119.110 119.110 118.220 0.890 17775 1657 1 3 . 1 1 84 84 SER HA H 359 4.300 4.300 4.565 -0.265 17775 1658 1 3 . 1 1 84 84 SER C C 359 176.160 176.160 175.683 0.477 17775 1659 1 3 . 1 1 84 84 SER CA C 359 59.170 59.170 57.730 1.440 17775 1660 1 3 . 1 1 84 84 SER CB C 359 64.540 64.540 64.238 0.302 17775 1661 1 3 . 1 1 84 84 SER H H 359 9.630 9.630 8.202 1.428 17775 1662 1 3 . 1 1 85 85 GLU N N 360 124.090 124.090 121.612 2.478 17775 1663 1 3 . 1 1 85 85 GLU CA C 360 58.880 58.880 59.019 -0.139 17775 1664 1 3 . 1 1 85 85 GLU CB C 360 29.560 29.560 29.249 0.311 17775 1665 1 3 . 1 1 85 85 GLU H H 360 8.810 8.810 9.031 -0.221 17775 1666 1 3 . 1 1 86 86 GLN HA H 361 4.220 4.220 4.198 0.022 17775 1667 1 3 . 1 1 86 86 GLN C C 361 176.370 176.370 176.914 -0.544 17775 1668 1 3 . 1 1 86 86 GLN CA C 361 58.440 58.440 58.084 0.355 17775 1669 1 3 . 1 1 86 86 GLN CB C 361 28.290 28.290 28.711 -0.421 17775 1670 1 3 . 1 1 87 87 ASP N N 362 118.700 118.700 117.910 0.790 17775 1671 1 3 . 1 1 87 87 ASP HA H 362 5.070 5.070 4.499 0.571 17775 1672 1 3 . 1 1 87 87 ASP C C 362 176.740 176.740 176.210 0.530 17775 1673 1 3 . 1 1 87 87 ASP CA C 362 53.710 53.710 52.974 0.736 17775 1674 1 3 . 1 1 87 87 ASP CB C 362 40.980 40.980 40.705 0.275 17775 1675 1 3 . 1 1 87 87 ASP H H 362 7.640 7.640 7.550 0.090 17775 1676 1 3 . 1 1 88 88 GLY N N 363 110.410 110.410 109.117 1.293 17775 1677 1 3 . 1 1 88 88 GLY CA C 363 47.890 47.890 47.356 0.534 17775 1678 1 3 . 1 1 88 88 GLY H H 363 7.940 7.940 8.106 -0.166 17775 1679 1 3 . 1 1 89 89 TYR HA H 364 4.430 4.430 4.304 0.126 17775 1680 1 3 . 1 1 89 89 TYR C C 364 177.600 177.600 177.956 -0.356 17775 1681 1 3 . 1 1 89 89 TYR CA C 364 59.970 59.970 59.115 0.855 17775 1682 1 3 . 1 1 89 89 TYR CB C 364 37.100 37.100 36.675 0.425 17775 1683 1 3 . 1 1 89 89 TYR H H 364 8.470 8.470 8.141 0.329 17775 1684 1 3 . 1 1 90 90 LEU N N 365 124.000 124.000 119.789 4.211 17775 1685 1 3 . 1 1 90 90 LEU HA H 365 3.920 3.920 3.971 -0.051 17775 1686 1 3 . 1 1 90 90 LEU C C 365 178.180 178.180 178.702 -0.522 17775 1687 1 3 . 1 1 90 90 LEU CA C 365 57.050 57.050 56.801 0.249 17775 1688 1 3 . 1 1 90 90 LEU CB C 365 41.930 41.930 41.175 0.755 17775 1689 1 3 . 1 1 90 90 LEU H H 365 7.080 7.080 7.144 -0.064 17775 1690 1 3 . 1 1 91 91 ALA N N 366 123.150 123.150 122.076 1.074 17775 1691 1 3 . 1 1 91 91 ALA HA H 366 3.790 3.790 3.966 -0.176 17775 1692 1 3 . 1 1 91 91 ALA C C 366 179.610 179.610 179.609 0.001 17775 1693 1 3 . 1 1 91 91 ALA CA C 366 55.910 55.910 54.803 1.107 17775 1694 1 3 . 1 1 91 91 ALA CB C 366 18.450 18.450 18.223 0.227 17775 1695 1 3 . 1 1 91 91 ALA H H 366 7.880 7.880 7.466 0.414 17775 1696 1 3 . 1 1 92 92 GLU N N 367 116.750 116.750 118.420 -1.670 17775 1697 1 3 . 1 1 92 92 GLU HA H 367 4.010 4.010 3.977 0.033 17775 1698 1 3 . 1 1 92 92 GLU C C 367 177.910 177.910 179.217 -1.307 17775 1699 1 3 . 1 1 92 92 GLU CA C 367 59.420 59.420 59.733 -0.313 17775 1700 1 3 . 1 1 92 92 GLU CB C 367 29.620 29.620 29.417 0.203 17775 1701 1 3 . 1 1 92 92 GLU H H 367 8.100 8.100 8.584 -0.484 17775 1702 1 3 . 1 1 93 93 SER N N 368 115.480 115.480 115.939 -0.459 17775 1703 1 3 . 1 1 93 93 SER HA H 368 4.060 4.060 4.217 -0.157 17775 1704 1 3 . 1 1 93 93 SER C C 368 176.360 176.360 176.734 -0.374 17775 1705 1 3 . 1 1 93 93 SER CA C 368 61.610 61.610 61.726 -0.116 17775 1706 1 3 . 1 1 93 93 SER CB C 368 63.080 63.080 62.972 0.108 17775 1707 1 3 . 1 1 93 93 SER H H 368 7.520 7.520 7.476 0.044 17775 1708 1 3 . 1 1 94 94 ILE N N 369 121.710 121.710 122.143 -0.433 17775 1709 1 3 . 1 1 94 94 ILE HA H 369 4.000 4.000 3.963 0.037 17775 1710 1 3 . 1 1 94 94 ILE C C 369 178.000 178.000 177.786 0.214 17775 1711 1 3 . 1 1 94 94 ILE CA C 369 65.470 65.470 64.853 0.617 17775 1712 1 3 . 1 1 94 94 ILE CB C 369 38.030 38.030 37.568 0.462 17775 1713 1 3 . 1 1 94 94 ILE H H 369 8.400 8.400 7.431 0.969 17775 1714 1 3 . 1 1 95 95 ASN N N 370 117.810 117.810 118.705 -0.895 17775 1715 1 3 . 1 1 95 95 ASN HA H 370 4.290 4.290 4.406 -0.116 17775 1716 1 3 . 1 1 95 95 ASN C C 370 179.730 179.730 177.500 2.230 17775 1717 1 3 . 1 1 95 95 ASN CA C 370 57.340 57.340 56.299 1.041 17775 1718 1 3 . 1 1 95 95 ASN CB C 370 38.280 38.280 38.000 0.280 17775 1719 1 3 . 1 1 95 95 ASN H H 370 8.270 8.270 8.205 0.065 17775 1720 1 3 . 1 1 96 96 LYS N N 371 121.220 121.220 120.742 0.478 17775 1721 1 3 . 1 1 96 96 LYS HA H 371 4.090 4.090 3.989 0.101 17775 1722 1 3 . 1 1 96 96 LYS C C 371 179.250 179.250 178.578 0.672 17775 1723 1 3 . 1 1 96 96 LYS CA C 371 59.650 59.650 59.633 0.017 17775 1724 1 3 . 1 1 96 96 LYS CB C 371 31.730 31.730 32.416 -0.686 17775 1725 1 3 . 1 1 96 96 LYS H H 371 7.960 7.960 7.918 0.042 17775 1726 1 3 . 1 1 97 97 ASP N N 372 122.870 122.870 119.359 3.511 17775 1727 1 3 . 1 1 97 97 ASP HA H 372 4.060 4.060 4.417 -0.357 17775 1728 1 3 . 1 1 97 97 ASP C C 372 179.300 179.300 178.861 0.439 17775 1729 1 3 . 1 1 97 97 ASP CA C 372 58.400 58.400 57.460 0.940 17775 1730 1 3 . 1 1 97 97 ASP CB C 372 41.130 41.130 40.722 0.408 17775 1731 1 3 . 1 1 97 97 ASP H H 372 7.920 7.920 7.729 0.192 17775 1732 1 3 . 1 1 98 98 ILE N N 373 123.090 123.090 116.862 6.228 17775 1733 1 3 . 1 1 98 98 ILE HA H 373 3.620 3.620 3.732 -0.112 17775 1734 1 3 . 1 1 98 98 ILE C C 373 178.330 178.330 177.789 0.541 17775 1735 1 3 . 1 1 98 98 ILE CA C 373 65.080 65.080 64.830 0.250 17775 1736 1 3 . 1 1 98 98 ILE CB C 373 37.260 37.260 37.581 -0.321 17775 1737 1 3 . 1 1 98 98 ILE H H 373 8.720 8.720 7.706 1.014 17775 1738 1 3 . 1 1 99 99 GLU N N 374 120.550 120.550 120.695 -0.145 17775 1739 1 3 . 1 1 99 99 GLU HA H 374 4.120 4.120 3.958 0.162 17775 1740 1 3 . 1 1 99 99 GLU C C 374 179.740 179.740 179.308 0.432 17775 1741 1 3 . 1 1 99 99 GLU CA C 374 59.570 59.570 59.774 -0.204 17775 1742 1 3 . 1 1 99 99 GLU CB C 374 28.910 28.910 28.932 -0.022 17775 1743 1 3 . 1 1 99 99 GLU H H 374 8.100 8.100 7.965 0.135 17775 1744 1 3 . 1 1 100 100 GLU N N 375 122.040 122.040 119.884 2.156 17775 1745 1 3 . 1 1 100 100 GLU HA H 375 4.140 4.140 4.057 0.083 17775 1746 1 3 . 1 1 100 100 GLU C C 375 178.810 178.810 179.099 -0.289 17775 1747 1 3 . 1 1 100 100 GLU CA C 375 59.830 59.830 59.232 0.598 17775 1748 1 3 . 1 1 100 100 GLU CB C 375 29.220 29.220 29.470 -0.250 17775 1749 1 3 . 1 1 100 100 GLU H H 375 8.060 8.060 7.832 0.228 17775 1750 1 3 . 1 1 101 101 CYS N N 376 117.330 117.330 117.904 -0.574 17775 1751 1 3 . 1 1 101 101 CYS HA H 376 3.960 3.960 4.065 -0.105 17775 1752 1 3 . 1 1 101 101 CYS C C 376 176.540 176.540 176.709 -0.169 17775 1753 1 3 . 1 1 101 101 CYS CA C 376 64.510 64.510 64.291 0.219 17775 1754 1 3 . 1 1 101 101 CYS CB C 376 27.270 27.270 27.297 -0.027 17775 1755 1 3 . 1 1 101 101 CYS H H 376 8.130 8.130 7.955 0.175 17775 1756 1 3 . 1 1 102 102 ASN N N 377 117.140 117.140 118.704 -1.564 17775 1757 1 3 . 1 1 102 102 ASN HA H 377 4.290 4.290 4.413 -0.123 17775 1758 1 3 . 1 1 102 102 ASN C C 377 176.980 176.980 177.224 -0.244 17775 1759 1 3 . 1 1 102 102 ASN CA C 377 56.460 56.460 56.511 -0.051 17775 1760 1 3 . 1 1 102 102 ASN CB C 377 38.440 38.440 38.602 -0.162 17775 1761 1 3 . 1 1 102 102 ASN H H 377 8.430 8.430 7.903 0.527 17775 1762 1 3 . 1 1 103 103 ALA N N 378 123.350 123.350 122.868 0.482 17775 1763 1 3 . 1 1 103 103 ALA HA H 378 4.130 4.130 4.063 0.067 17775 1764 1 3 . 1 1 103 103 ALA C C 378 180.510 180.510 179.714 0.796 17775 1765 1 3 . 1 1 103 103 ALA CA C 378 55.120 55.120 55.035 0.085 17775 1766 1 3 . 1 1 103 103 ALA CB C 378 17.960 17.960 18.544 -0.584 17775 1767 1 3 . 1 1 103 103 ALA H H 378 8.130 8.130 7.719 0.411 17775 1768 1 3 . 1 1 104 104 ILE N N 379 120.880 120.880 119.182 1.698 17775 1769 1 3 . 1 1 104 104 ILE HA H 379 3.680 3.680 3.596 0.084 17775 1770 1 3 . 1 1 104 104 ILE C C 379 178.260 178.260 178.070 0.190 17775 1771 1 3 . 1 1 104 104 ILE CA C 379 64.860 64.860 65.653 -0.793 17775 1772 1 3 . 1 1 104 104 ILE CB C 379 38.080 38.080 37.953 0.127 17775 1773 1 3 . 1 1 104 104 ILE H H 379 8.010 8.010 7.653 0.357 17775 1774 1 3 . 1 1 105 105 ILE N N 380 119.970 119.970 120.041 -0.071 17775 1775 1 3 . 1 1 105 105 ILE HA H 380 3.430 3.430 3.753 -0.323 17775 1776 1 3 . 1 1 105 105 ILE C C 380 177.660 177.660 178.121 -0.461 17775 1777 1 3 . 1 1 105 105 ILE CA C 380 65.490 65.490 65.880 -0.390 17775 1778 1 3 . 1 1 105 105 ILE CB C 380 38.060 38.060 37.657 0.403 17775 1779 1 3 . 1 1 105 105 ILE H H 380 8.060 8.060 7.715 0.345 17775 1780 1 3 . 1 1 106 106 GLU N N 381 118.640 118.640 119.834 -1.194 17775 1781 1 3 . 1 1 106 106 GLU HA H 381 3.970 3.970 3.897 0.073 17775 1782 1 3 . 1 1 106 106 GLU C C 381 178.440 178.440 178.741 -0.301 17775 1783 1 3 . 1 1 106 106 GLU CA C 381 59.260 59.260 59.870 -0.611 17775 1784 1 3 . 1 1 106 106 GLU CB C 381 29.570 29.570 29.400 0.170 17775 1785 1 3 . 1 1 106 106 GLU H H 381 8.140 8.140 8.004 0.136 17775 1786 1 3 . 1 1 107 107 GLN N N 382 117.770 117.770 119.381 -1.611 17775 1787 1 3 . 1 1 107 107 GLN HA H 382 4.040 4.040 4.021 0.019 17775 1788 1 3 . 1 1 107 107 GLN C C 382 177.550 177.550 178.454 -0.904 17775 1789 1 3 . 1 1 107 107 GLN CA C 382 58.170 58.170 58.822 -0.652 17775 1790 1 3 . 1 1 107 107 GLN CB C 382 28.770 28.770 28.509 0.262 17775 1791 1 3 . 1 1 107 107 GLN H H 382 7.710 7.710 7.779 -0.069 17775 1792 1 3 . 1 1 108 108 PHE N N 383 118.750 118.750 118.679 0.071 17775 1793 1 3 . 1 1 108 108 PHE HA H 383 4.490 4.490 4.229 0.261 17775 1794 1 3 . 1 1 108 108 PHE C C 383 176.570 176.570 178.098 -1.528 17775 1795 1 3 . 1 1 108 108 PHE CA C 383 59.360 59.360 62.386 -3.026 17775 1796 1 3 . 1 1 108 108 PHE CB C 383 38.760 38.760 38.867 -0.107 17775 1797 1 3 . 1 1 108 108 PHE H H 383 7.880 7.880 7.762 0.118 17775 1798 1 3 . 1 1 109 109 ILE N N 384 118.200 118.200 120.562 -2.362 17775 1799 1 3 . 1 1 109 109 ILE HA H 384 3.720 3.720 3.755 -0.035 17775 1800 1 3 . 1 1 109 109 ILE C C 384 177.450 177.450 178.340 -0.890 17775 1801 1 3 . 1 1 109 109 ILE CA C 384 64.280 64.280 64.941 -0.661 17775 1802 1 3 . 1 1 109 109 ILE CB C 384 37.870 37.870 37.796 0.074 17775 1803 1 3 . 1 1 109 109 ILE H H 384 7.950 7.950 7.929 0.021 17775 1804 1 3 . 1 1 110 110 ASP N N 385 119.750 119.750 119.972 -0.222 17775 1805 1 3 . 1 1 110 110 ASP HA H 385 4.440 4.440 4.398 0.042 17775 1806 1 3 . 1 1 110 110 ASP C C 385 177.620 177.620 178.066 -0.446 17775 1807 1 3 . 1 1 110 110 ASP CA C 385 56.500 56.500 57.379 -0.879 17775 1808 1 3 . 1 1 110 110 ASP CB C 385 40.860 40.860 40.557 0.303 17775 1809 1 3 . 1 1 110 110 ASP H H 385 7.840 7.840 7.908 -0.068 17775 1810 1 3 . 1 1 111 111 TYR N N 386 118.370 118.370 119.083 -0.713 17775 1811 1 3 . 1 1 111 111 TYR HA H 386 4.430 4.430 4.256 0.174 17775 1812 1 3 . 1 1 111 111 TYR C C 386 176.320 176.320 176.809 -0.489 17775 1813 1 3 . 1 1 111 111 TYR CA C 386 58.940 58.940 61.020 -2.080 17775 1814 1 3 . 1 1 111 111 TYR CB C 386 38.440 38.440 39.129 -0.689 17775 1815 1 3 . 1 1 111 111 TYR H H 386 7.760 7.760 7.779 -0.019 17775 1816 1 3 . 1 1 112 112 LEU N N 387 119.730 119.730 118.280 1.450 17775 1817 1 3 . 1 1 112 112 LEU HA H 387 4.230 4.230 4.304 -0.074 17775 1818 1 3 . 1 1 112 112 LEU C C 387 175.900 175.900 178.175 -2.275 17775 1819 1 3 . 1 1 112 112 LEU CA C 387 55.090 55.090 55.761 -0.671 17775 1820 1 3 . 1 1 112 112 LEU CB C 387 42.670 42.670 42.624 0.046 17775 1821 1 3 . 1 1 112 112 LEU H H 387 7.660 7.660 7.939 -0.279 17775 1822 1 4 . 1 1 5 5 ILE HA H 280 4.190 4.190 3.929 0.261 17775 1823 1 4 . 1 1 5 5 ILE CA C 280 61.650 61.650 63.336 -1.685 17775 1824 1 4 . 1 1 5 5 ILE CB C 280 38.520 38.520 36.571 1.949 17775 1825 1 4 . 1 1 6 6 THR HA H 281 4.340 4.340 3.974 0.366 17775 1826 1 4 . 1 1 6 6 THR CA C 281 62.680 62.680 65.994 -3.314 17775 1827 1 4 . 1 1 6 6 THR CB C 281 69.630 69.630 68.253 1.377 17775 1828 1 4 . 1 1 8 8 PRO HA H 283 4.230 4.230 4.458 -0.228 17775 1829 1 4 . 1 1 8 8 PRO CA C 283 65.940 65.940 65.797 0.143 17775 1830 1 4 . 1 1 8 8 PRO CB C 283 30.730 30.730 30.769 -0.039 17775 1831 1 4 . 1 1 9 9 ILE N N 284 115.670 115.670 118.073 -2.403 17775 1832 1 4 . 1 1 9 9 ILE HA H 284 3.420 3.420 3.846 -0.426 17775 1833 1 4 . 1 1 9 9 ILE C C 284 177.820 177.820 178.249 -0.429 17775 1834 1 4 . 1 1 9 9 ILE CA C 284 65.540 65.540 63.933 1.607 17775 1835 1 4 . 1 1 9 9 ILE CB C 284 36.810 36.810 36.763 0.047 17775 1836 1 4 . 1 1 9 9 ILE H H 284 7.300 7.300 7.348 -0.048 17775 1837 1 4 . 1 1 10 10 ILE N N 285 121.880 121.880 120.951 0.929 17775 1838 1 4 . 1 1 10 10 ILE HA H 285 3.800 3.800 3.836 -0.036 17775 1839 1 4 . 1 1 10 10 ILE C C 285 177.690 177.690 179.029 -1.339 17775 1840 1 4 . 1 1 10 10 ILE CA C 285 62.880 62.880 63.100 -0.220 17775 1841 1 4 . 1 1 10 10 ILE CB C 285 36.560 36.560 36.351 0.209 17775 1842 1 4 . 1 1 10 10 ILE H H 285 7.880 7.880 7.909 -0.029 17775 1843 1 4 . 1 1 11 11 GLU N N 286 120.580 120.580 120.205 0.375 17775 1844 1 4 . 1 1 11 11 GLU HA H 286 4.080 4.080 4.104 -0.024 17775 1845 1 4 . 1 1 11 11 GLU C C 286 180.980 180.980 179.650 1.330 17775 1846 1 4 . 1 1 11 11 GLU CA C 286 59.630 59.630 59.701 -0.071 17775 1847 1 4 . 1 1 11 11 GLU CB C 286 29.550 29.550 29.434 0.116 17775 1848 1 4 . 1 1 11 11 GLU H H 286 8.450 8.450 7.875 0.575 17775 1849 1 4 . 1 1 12 12 LEU N N 287 121.340 121.340 119.334 2.006 17775 1850 1 4 . 1 1 12 12 LEU HA H 287 4.010 4.010 4.064 -0.054 17775 1851 1 4 . 1 1 12 12 LEU C C 287 178.030 178.030 179.131 -1.101 17775 1852 1 4 . 1 1 12 12 LEU CA C 287 58.310 58.310 58.073 0.237 17775 1853 1 4 . 1 1 12 12 LEU CB C 287 42.050 42.050 41.816 0.233 17775 1854 1 4 . 1 1 12 12 LEU H H 287 8.490 8.490 8.012 0.478 17775 1855 1 4 . 1 1 13 13 SER N N 288 117.590 117.590 114.896 2.694 17775 1856 1 4 . 1 1 13 13 SER HA H 288 4.190 4.190 4.064 0.126 17775 1857 1 4 . 1 1 13 13 SER C C 288 175.660 175.660 176.645 -0.985 17775 1858 1 4 . 1 1 13 13 SER CA C 288 61.670 61.670 61.779 -0.109 17775 1859 1 4 . 1 1 13 13 SER CB C 288 62.490 62.490 62.913 -0.423 17775 1860 1 4 . 1 1 13 13 SER H H 288 8.330 8.330 8.109 0.221 17775 1861 1 4 . 1 1 14 14 ASN N N 289 119.150 119.150 121.006 -1.856 17775 1862 1 4 . 1 1 14 14 ASN HA H 289 4.450 4.450 4.684 -0.234 17775 1863 1 4 . 1 1 14 14 ASN C C 289 178.480 178.480 177.916 0.564 17775 1864 1 4 . 1 1 14 14 ASN CA C 289 55.870 55.870 55.911 -0.041 17775 1865 1 4 . 1 1 14 14 ASN CB C 289 38.090 38.090 38.266 -0.176 17775 1866 1 4 . 1 1 14 14 ASN H H 289 8.650 8.650 8.193 0.457 17775 1867 1 4 . 1 1 15 15 THR N N 290 117.650 117.650 116.968 0.682 17775 1868 1 4 . 1 1 15 15 THR HA H 290 3.830 3.830 3.997 -0.167 17775 1869 1 4 . 1 1 15 15 THR C C 290 175.030 175.030 176.055 -1.025 17775 1870 1 4 . 1 1 15 15 THR CA C 290 67.790 67.790 66.802 0.988 17775 1871 1 4 . 1 1 15 15 THR CB C 290 68.660 68.660 68.667 -0.007 17775 1872 1 4 . 1 1 15 15 THR H H 290 8.040 8.040 8.014 0.026 17775 1873 1 4 . 1 1 16 16 ALA N N 291 124.470 124.470 124.492 -0.022 17775 1874 1 4 . 1 1 16 16 ALA HA H 291 3.850 3.850 3.926 -0.076 17775 1875 1 4 . 1 1 16 16 ALA C C 291 178.470 178.470 179.153 -0.683 17775 1876 1 4 . 1 1 16 16 ALA CA C 291 55.430 55.430 55.286 0.144 17775 1877 1 4 . 1 1 16 16 ALA CB C 291 17.820 17.820 18.233 -0.413 17775 1878 1 4 . 1 1 16 16 ALA H H 291 8.530 8.530 7.889 0.641 17775 1879 1 4 . 1 1 17 17 ASP N N 292 117.560 117.560 118.998 -1.438 17775 1880 1 4 . 1 1 17 17 ASP HA H 292 4.360 4.360 4.342 0.018 17775 1881 1 4 . 1 1 17 17 ASP C C 292 178.420 178.420 178.881 -0.461 17775 1882 1 4 . 1 1 17 17 ASP CA C 292 57.430 57.430 57.425 0.005 17775 1883 1 4 . 1 1 17 17 ASP CB C 292 40.130 40.130 40.327 -0.197 17775 1884 1 4 . 1 1 17 17 ASP H H 292 8.290 8.290 7.994 0.296 17775 1885 1 4 . 1 1 18 18 LYS N N 293 119.100 119.100 120.001 -0.901 17775 1886 1 4 . 1 1 18 18 LYS HA H 293 4.010 4.010 4.350 -0.340 17775 1887 1 4 . 1 1 18 18 LYS C C 293 180.170 180.170 179.105 1.065 17775 1888 1 4 . 1 1 18 18 LYS CA C 293 59.020 59.020 59.198 -0.178 17775 1889 1 4 . 1 1 18 18 LYS CB C 293 32.270 32.270 32.521 -0.251 17775 1890 1 4 . 1 1 18 18 LYS H H 293 7.690 7.690 7.569 0.121 17775 1891 1 4 . 1 1 19 19 ILE N N 294 122.510 122.510 119.786 2.724 17775 1892 1 4 . 1 1 19 19 ILE HA H 294 3.690 3.690 4.013 -0.323 17775 1893 1 4 . 1 1 19 19 ILE C C 294 178.920 178.920 178.705 0.215 17775 1894 1 4 . 1 1 19 19 ILE CA C 294 64.400 64.400 64.846 -0.446 17775 1895 1 4 . 1 1 19 19 ILE CB C 294 38.320 38.320 37.912 0.408 17775 1896 1 4 . 1 1 19 19 ILE H H 294 8.220 8.220 7.773 0.447 17775 1897 1 4 . 1 1 20 20 ALA N N 295 123.270 123.270 122.220 1.050 17775 1898 1 4 . 1 1 20 20 ALA HA H 295 3.850 3.850 4.068 -0.218 17775 1899 1 4 . 1 1 20 20 ALA C C 295 179.390 179.390 178.954 0.436 17775 1900 1 4 . 1 1 20 20 ALA CA C 295 55.370 55.370 54.835 0.535 17775 1901 1 4 . 1 1 20 20 ALA CB C 295 17.880 17.880 18.325 -0.445 17775 1902 1 4 . 1 1 20 20 ALA H H 295 8.580 8.580 7.817 0.763 17775 1903 1 4 . 1 1 21 21 GLU N N 296 115.530 115.530 116.411 -0.881 17775 1904 1 4 . 1 1 21 21 GLU HA H 296 4.160 4.160 4.179 -0.019 17775 1905 1 4 . 1 1 21 21 GLU C C 296 176.560 176.560 177.666 -1.106 17775 1906 1 4 . 1 1 21 21 GLU CA C 296 56.400 56.400 56.418 -0.018 17775 1907 1 4 . 1 1 21 21 GLU CB C 296 29.830 29.830 29.764 0.066 17775 1908 1 4 . 1 1 21 21 GLU H H 296 7.680 7.680 7.770 -0.090 17775 1909 1 4 . 1 1 22 22 GLY N N 297 105.910 105.910 107.700 -1.790 17775 1910 1 4 . 1 1 22 22 GLY C C 297 174.160 174.160 174.369 -0.209 17775 1911 1 4 . 1 1 22 22 GLY CA C 297 45.040 45.040 44.636 0.404 17775 1912 1 4 . 1 1 22 22 GLY H H 297 7.820 7.820 7.987 -0.167 17775 1913 1 4 . 1 1 23 23 ASN N N 298 120.260 120.260 121.593 -1.333 17775 1914 1 4 . 1 1 23 23 ASN HA H 298 4.960 4.960 4.927 0.033 17775 1915 1 4 . 1 1 23 23 ASN C C 298 174.560 174.560 175.585 -1.025 17775 1916 1 4 . 1 1 23 23 ASN CA C 298 51.800 51.800 51.894 -0.094 17775 1917 1 4 . 1 1 23 23 ASN CB C 298 36.750 36.750 37.180 -0.430 17775 1918 1 4 . 1 1 23 23 ASN H H 298 8.070 8.070 8.056 0.014 17775 1919 1 4 . 1 1 24 24 LEU N N 299 119.750 119.750 122.674 -2.924 17775 1920 1 4 . 1 1 24 24 LEU HA H 299 3.950 3.950 4.019 -0.069 17775 1921 1 4 . 1 1 24 24 LEU C C 299 176.390 176.390 178.316 -1.926 17775 1922 1 4 . 1 1 24 24 LEU CA C 299 56.250 56.250 57.649 -1.399 17775 1923 1 4 . 1 1 24 24 LEU CB C 299 41.260 41.260 41.545 -0.285 17775 1924 1 4 . 1 1 24 24 LEU H H 299 7.850 7.850 7.542 0.308 17775 1925 1 4 . 1 1 25 25 GLU N N 300 114.210 114.210 117.848 -3.638 17775 1926 1 4 . 1 1 25 25 GLU HA H 300 4.230 4.230 4.226 0.004 17775 1927 1 4 . 1 1 25 25 GLU C C 300 176.050 176.050 176.349 -0.299 17775 1928 1 4 . 1 1 25 25 GLU CA C 300 55.640 55.640 56.571 -0.931 17775 1929 1 4 . 1 1 25 25 GLU CB C 300 29.410 29.410 29.506 -0.097 17775 1930 1 4 . 1 1 25 25 GLU H H 300 7.840 7.840 8.452 -0.612 17775 1931 1 4 . 1 1 26 26 ALA N N 301 124.010 124.010 124.313 -0.303 17775 1932 1 4 . 1 1 26 26 ALA HA H 301 3.880 3.880 4.149 -0.269 17775 1933 1 4 . 1 1 26 26 ALA C C 301 175.390 175.390 176.935 -1.545 17775 1934 1 4 . 1 1 26 26 ALA CA C 301 52.890 52.890 52.495 0.396 17775 1935 1 4 . 1 1 26 26 ALA CB C 301 18.570 18.570 19.053 -0.483 17775 1936 1 4 . 1 1 26 26 ALA H H 301 6.770 6.770 7.302 -0.532 17775 1937 1 4 . 1 1 27 27 GLU N N 302 120.120 120.120 122.729 -2.609 17775 1938 1 4 . 1 1 27 27 GLU HA H 302 4.080 4.080 4.212 -0.132 17775 1939 1 4 . 1 1 27 27 GLU C C 302 176.510 176.510 176.205 0.305 17775 1940 1 4 . 1 1 27 27 GLU CA C 302 55.150 55.150 55.785 -0.635 17775 1941 1 4 . 1 1 27 27 GLU CB C 302 30.160 30.160 30.463 -0.303 17775 1942 1 4 . 1 1 27 27 GLU H H 302 7.880 7.880 8.348 -0.468 17775 1943 1 4 . 1 1 28 28 VAL N N 303 129.020 129.020 125.211 3.809 17775 1944 1 4 . 1 1 28 28 VAL HA H 303 4.230 4.230 4.165 0.065 17775 1945 1 4 . 1 1 28 28 VAL CA C 303 60.440 60.440 60.863 -0.423 17775 1946 1 4 . 1 1 28 28 VAL CB C 303 31.760 31.760 31.734 0.026 17775 1947 1 4 . 1 1 28 28 VAL H H 303 8.890 8.890 8.073 0.817 17775 1948 1 4 . 1 1 29 29 PRO HA H 304 4.400 4.400 4.578 -0.178 17775 1949 1 4 . 1 1 29 29 PRO CA C 304 62.790 62.790 62.260 0.530 17775 1950 1 4 . 1 1 29 29 PRO CB C 304 32.120 32.120 32.717 -0.597 17775 1951 1 4 . 1 1 30 30 HIS N N 305 103.640 103.640 112.381 -8.741 17775 1952 1 4 . 1 1 30 30 HIS HA H 305 4.210 4.210 4.214 -0.004 17775 1953 1 4 . 1 1 30 30 HIS C C 305 175.590 175.590 177.019 -1.429 17775 1954 1 4 . 1 1 30 30 HIS CA C 305 57.950 57.950 57.450 0.500 17775 1955 1 4 . 1 1 30 30 HIS CB C 305 27.910 27.910 27.525 0.385 17775 1956 1 4 . 1 1 30 30 HIS H H 305 7.780 7.780 8.318 -0.538 17775 1957 1 4 . 1 1 31 31 GLN N N 306 114.840 114.840 117.743 -2.903 17775 1958 1 4 . 1 1 31 31 GLN HA H 306 3.990 3.990 4.027 -0.037 17775 1959 1 4 . 1 1 31 31 GLN C C 306 176.290 176.290 177.067 -0.777 17775 1960 1 4 . 1 1 31 31 GLN CA C 306 58.680 58.680 58.925 -0.245 17775 1961 1 4 . 1 1 31 31 GLN CB C 306 30.630 30.630 28.787 1.843 17775 1962 1 4 . 1 1 31 31 GLN H H 306 8.010 8.010 8.317 -0.307 17775 1963 1 4 . 1 1 32 32 ASN N N 307 113.230 113.230 115.191 -1.961 17775 1964 1 4 . 1 1 32 32 ASN HA H 307 4.640 4.640 4.610 0.030 17775 1965 1 4 . 1 1 32 32 ASN C C 307 175.610 175.610 175.103 0.507 17775 1966 1 4 . 1 1 32 32 ASN CA C 307 52.800 52.800 53.310 -0.510 17775 1967 1 4 . 1 1 32 32 ASN CB C 307 37.630 37.630 38.637 -1.007 17775 1968 1 4 . 1 1 32 32 ASN H H 307 8.360 8.360 8.329 0.031 17775 1969 1 4 . 1 1 33 33 ARG N N 308 119.580 119.580 120.399 -0.819 17775 1970 1 4 . 1 1 33 33 ARG HA H 308 4.140 4.140 4.264 -0.124 17775 1971 1 4 . 1 1 33 33 ARG CA C 308 56.950 56.950 56.653 0.297 17775 1972 1 4 . 1 1 33 33 ARG CB C 308 33.030 33.030 31.067 1.963 17775 1973 1 4 . 1 1 33 33 ARG H H 308 7.160 7.160 7.458 -0.298 17775 1974 1 4 . 1 1 34 34 ALA HA H 309 4.530 4.530 4.285 0.245 17775 1975 1 4 . 1 1 34 34 ALA C C 309 176.610 176.610 177.065 -0.455 17775 1976 1 4 . 1 1 34 34 ALA CA C 309 51.650 51.650 52.686 -1.036 17775 1977 1 4 . 1 1 34 34 ALA CB C 309 18.830 18.830 19.174 -0.344 17775 1978 1 4 . 1 1 35 35 ASP N N 310 117.680 117.680 118.952 -1.272 17775 1979 1 4 . 1 1 35 35 ASP HA H 310 4.660 4.660 4.639 0.021 17775 1980 1 4 . 1 1 35 35 ASP C C 310 176.740 176.740 177.099 -0.359 17775 1981 1 4 . 1 1 35 35 ASP CA C 310 52.240 52.240 53.016 -0.776 17775 1982 1 4 . 1 1 35 35 ASP CB C 310 41.580 41.580 40.618 0.962 17775 1983 1 4 . 1 1 35 35 ASP H H 310 7.460 7.460 7.716 -0.256 17775 1984 1 4 . 1 1 36 36 GLU N N 311 118.110 118.110 117.334 0.776 17775 1985 1 4 . 1 1 36 36 GLU HA H 311 3.870 3.870 4.059 -0.189 17775 1986 1 4 . 1 1 36 36 GLU C C 311 177.440 177.440 178.442 -1.002 17775 1987 1 4 . 1 1 36 36 GLU CA C 311 60.460 60.460 59.808 0.652 17775 1988 1 4 . 1 1 36 36 GLU CB C 311 27.660 27.660 29.405 -1.745 17775 1989 1 4 . 1 1 36 36 GLU H H 311 9.910 9.910 8.653 1.257 17775 1990 1 4 . 1 1 37 37 ILE N N 312 118.790 118.790 119.441 -0.651 17775 1991 1 4 . 1 1 37 37 ILE HA H 312 3.570 3.570 3.870 -0.300 17775 1992 1 4 . 1 1 37 37 ILE C C 312 177.460 177.460 178.147 -0.687 17775 1993 1 4 . 1 1 37 37 ILE CA C 312 63.170 63.170 62.662 0.508 17775 1994 1 4 . 1 1 37 37 ILE CB C 312 35.770 35.770 36.574 -0.804 17775 1995 1 4 . 1 1 37 37 ILE H H 312 7.420 7.420 7.613 -0.193 17775 1996 1 4 . 1 1 38 38 GLY N N 313 108.320 108.320 109.247 -0.927 17775 1997 1 4 . 1 1 38 38 GLY C C 313 176.200 176.200 176.188 0.012 17775 1998 1 4 . 1 1 38 38 GLY CA C 313 47.090 47.090 47.364 -0.274 17775 1999 1 4 . 1 1 38 38 GLY H H 313 7.510 7.510 7.912 -0.402 17775 2000 1 4 . 1 1 39 39 ILE N N 314 121.890 121.890 122.526 -0.636 17775 2001 1 4 . 1 1 39 39 ILE HA H 314 3.630 3.630 3.690 -0.060 17775 2002 1 4 . 1 1 39 39 ILE C C 314 179.070 179.070 177.553 1.517 17775 2003 1 4 . 1 1 39 39 ILE CA C 314 64.750 64.750 64.990 -0.240 17775 2004 1 4 . 1 1 39 39 ILE CB C 314 37.610 37.610 37.972 -0.362 17775 2005 1 4 . 1 1 39 39 ILE H H 314 7.390 7.390 7.674 -0.284 17775 2006 1 4 . 1 1 40 40 LEU N N 315 121.370 121.370 121.532 -0.162 17775 2007 1 4 . 1 1 40 40 LEU HA H 315 4.120 4.120 4.071 0.049 17775 2008 1 4 . 1 1 40 40 LEU C C 315 178.560 178.560 178.242 0.318 17775 2009 1 4 . 1 1 40 40 LEU CA C 315 57.620 57.620 57.831 -0.212 17775 2010 1 4 . 1 1 40 40 LEU CB C 315 41.490 41.490 41.579 -0.089 17775 2011 1 4 . 1 1 40 40 LEU H H 315 7.770 7.770 7.850 -0.080 17775 2012 1 4 . 1 1 41 41 ALA N N 316 123.480 123.480 121.626 1.854 17775 2013 1 4 . 1 1 41 41 ALA HA H 316 3.840 3.840 3.935 -0.095 17775 2014 1 4 . 1 1 41 41 ALA C C 316 179.700 179.700 179.467 0.233 17775 2015 1 4 . 1 1 41 41 ALA CA C 316 56.180 56.180 55.522 0.659 17775 2016 1 4 . 1 1 41 41 ALA CB C 316 19.870 19.870 18.351 1.519 17775 2017 1 4 . 1 1 41 41 ALA H H 316 9.020 9.020 8.035 0.985 17775 2018 1 4 . 1 1 42 42 LYS N N 317 116.890 116.890 118.532 -1.642 17775 2019 1 4 . 1 1 42 42 LYS HA H 317 3.900 3.900 3.985 -0.085 17775 2020 1 4 . 1 1 42 42 LYS C C 317 179.730 179.730 179.172 0.558 17775 2021 1 4 . 1 1 42 42 LYS CA C 317 60.430 60.430 59.632 0.798 17775 2022 1 4 . 1 1 42 42 LYS H H 317 8.320 8.320 7.900 0.420 17775 2023 1 4 . 1 1 43 43 SER N N 318 119.130 119.130 115.788 3.342 17775 2024 1 4 . 1 1 43 43 SER HA H 318 4.340 4.340 4.192 0.148 17775 2025 1 4 . 1 1 43 43 SER C C 318 177.430 177.430 176.661 0.769 17775 2026 1 4 . 1 1 43 43 SER CA C 318 62.630 62.630 61.955 0.675 17775 2027 1 4 . 1 1 43 43 SER CB C 318 63.050 63.050 62.959 0.091 17775 2028 1 4 . 1 1 43 43 SER H H 318 8.060 8.060 8.054 0.006 17775 2029 1 4 . 1 1 44 44 ILE N N 319 124.020 124.020 123.189 0.831 17775 2030 1 4 . 1 1 44 44 ILE HA H 319 3.640 3.640 3.700 -0.060 17775 2031 1 4 . 1 1 44 44 ILE C C 319 177.190 177.190 177.848 -0.658 17775 2032 1 4 . 1 1 44 44 ILE CA C 319 65.020 65.020 65.132 -0.113 17775 2033 1 4 . 1 1 44 44 ILE CB C 319 36.790 36.790 37.639 -0.849 17775 2034 1 4 . 1 1 44 44 ILE H H 319 8.250 8.250 7.711 0.539 17775 2035 1 4 . 1 1 45 45 GLU N N 320 123.090 123.090 120.715 2.375 17775 2036 1 4 . 1 1 45 45 GLU HA H 320 4.600 4.600 3.957 0.643 17775 2037 1 4 . 1 1 45 45 GLU C C 320 178.190 178.190 178.647 -0.457 17775 2038 1 4 . 1 1 45 45 GLU CA C 320 58.430 58.430 59.446 -1.016 17775 2039 1 4 . 1 1 45 45 GLU CB C 320 27.700 27.700 29.231 -1.531 17775 2040 1 4 . 1 1 45 45 GLU H H 320 8.390 8.390 8.064 0.326 17775 2041 1 4 . 1 1 46 46 ARG N N 321 119.760 119.760 119.280 0.480 17775 2042 1 4 . 1 1 46 46 ARG HA H 321 3.930 3.930 4.046 -0.116 17775 2043 1 4 . 1 1 46 46 ARG C C 321 179.950 179.950 179.077 0.873 17775 2044 1 4 . 1 1 46 46 ARG CA C 321 60.440 60.440 59.360 1.080 17775 2045 1 4 . 1 1 46 46 ARG CB C 321 29.770 29.770 30.122 -0.352 17775 2046 1 4 . 1 1 46 46 ARG H H 321 8.000 8.000 7.810 0.190 17775 2047 1 4 . 1 1 47 47 LEU N N 322 121.360 121.360 119.386 1.974 17775 2048 1 4 . 1 1 47 47 LEU HA H 322 4.020 4.020 4.030 -0.010 17775 2049 1 4 . 1 1 47 47 LEU C C 322 178.040 178.040 178.670 -0.630 17775 2050 1 4 . 1 1 47 47 LEU CA C 322 58.550 58.550 57.951 0.599 17775 2051 1 4 . 1 1 47 47 LEU CB C 322 41.650 41.650 41.570 0.080 17775 2052 1 4 . 1 1 47 47 LEU H H 322 7.870 7.870 7.828 0.042 17775 2053 1 4 . 1 1 48 48 ARG N N 323 121.390 121.390 119.426 1.964 17775 2054 1 4 . 1 1 48 48 ARG HA H 323 3.690 3.690 3.943 -0.253 17775 2055 1 4 . 1 1 48 48 ARG C C 323 178.120 178.120 178.575 -0.455 17775 2056 1 4 . 1 1 48 48 ARG CA C 323 60.630 60.630 59.669 0.961 17775 2057 1 4 . 1 1 48 48 ARG CB C 323 30.230 30.230 29.944 0.286 17775 2058 1 4 . 1 1 48 48 ARG H H 323 8.730 8.730 7.811 0.919 17775 2059 1 4 . 1 1 49 49 ARG N N 324 116.720 116.720 118.139 -1.419 17775 2060 1 4 . 1 1 49 49 ARG HA H 324 3.840 3.840 4.045 -0.205 17775 2061 1 4 . 1 1 49 49 ARG C C 324 179.060 179.060 178.736 0.324 17775 2062 1 4 . 1 1 49 49 ARG CA C 324 59.930 59.930 59.061 0.869 17775 2063 1 4 . 1 1 49 49 ARG CB C 324 29.830 29.830 29.698 0.132 17775 2064 1 4 . 1 1 49 49 ARG H H 324 8.550 8.550 8.048 0.502 17775 2065 1 4 . 1 1 50 50 SER N N 325 117.600 117.600 116.518 1.082 17775 2066 1 4 . 1 1 50 50 SER HA H 325 4.120 4.120 4.185 -0.065 17775 2067 1 4 . 1 1 50 50 SER C C 325 176.050 176.050 176.649 -0.599 17775 2068 1 4 . 1 1 50 50 SER CA C 325 62.630 62.630 62.638 -0.008 17775 2069 1 4 . 1 1 50 50 SER CB C 325 62.950 62.950 62.901 0.049 17775 2070 1 4 . 1 1 50 50 SER H H 325 8.170 8.170 7.795 0.375 17775 2071 1 4 . 1 1 51 51 LEU N N 326 123.730 123.730 122.081 1.649 17775 2072 1 4 . 1 1 51 51 LEU HA H 326 3.990 3.990 3.931 0.059 17775 2073 1 4 . 1 1 51 51 LEU C C 326 177.380 177.380 178.293 -0.913 17775 2074 1 4 . 1 1 51 51 LEU CA C 326 58.580 58.580 58.127 0.453 17775 2075 1 4 . 1 1 51 51 LEU CB C 326 42.190 42.190 41.791 0.399 17775 2076 1 4 . 1 1 51 51 LEU H H 326 8.190 8.190 7.722 0.468 17775 2077 1 4 . 1 1 52 52 LYS N N 327 119.170 119.170 119.161 0.009 17775 2078 1 4 . 1 1 52 52 LYS HA H 327 3.860 3.860 3.846 0.014 17775 2079 1 4 . 1 1 52 52 LYS C C 327 179.050 179.050 178.819 0.231 17775 2080 1 4 . 1 1 52 52 LYS CA C 327 59.700 59.700 59.777 -0.077 17775 2081 1 4 . 1 1 52 52 LYS CB C 327 32.020 32.020 32.297 -0.277 17775 2082 1 4 . 1 1 52 52 LYS H H 327 8.580 8.580 8.043 0.537 17775 2083 1 4 . 1 1 53 53 GLN N N 328 118.180 118.180 119.115 -0.935 17775 2084 1 4 . 1 1 53 53 GLN HA H 328 4.080 4.080 4.053 0.027 17775 2085 1 4 . 1 1 53 53 GLN C C 328 177.960 177.960 178.394 -0.434 17775 2086 1 4 . 1 1 53 53 GLN CA C 328 58.690 58.690 59.196 -0.506 17775 2087 1 4 . 1 1 53 53 GLN CB C 328 28.450 28.450 28.643 -0.193 17775 2088 1 4 . 1 1 53 53 GLN H H 328 8.080 8.080 7.960 0.120 17775 2089 1 4 . 1 1 54 54 LEU N N 329 118.740 118.740 119.882 -1.142 17775 2090 1 4 . 1 1 54 54 LEU HA H 329 4.150 4.150 4.245 -0.095 17775 2091 1 4 . 1 1 54 54 LEU C C 329 179.580 179.580 179.021 0.559 17775 2092 1 4 . 1 1 54 54 LEU CA C 329 58.080 58.080 57.713 0.367 17775 2093 1 4 . 1 1 54 54 LEU CB C 329 42.620 42.620 41.863 0.757 17775 2094 1 4 . 1 1 54 54 LEU H H 329 7.680 7.680 7.999 -0.319 17775 2095 1 4 . 1 1 55 55 ALA N N 330 123.330 123.330 122.070 1.260 17775 2096 1 4 . 1 1 55 55 ALA HA H 330 4.050 4.050 3.914 0.136 17775 2097 1 4 . 1 1 55 55 ALA C C 330 180.530 180.530 179.475 1.055 17775 2098 1 4 . 1 1 55 55 ALA CA C 330 55.630 55.630 55.426 0.204 17775 2099 1 4 . 1 1 55 55 ALA CB C 330 18.320 18.320 18.014 0.306 17775 2100 1 4 . 1 1 55 55 ALA H H 330 8.390 8.390 7.862 0.528 17775 2101 1 4 . 1 1 56 56 ASP N N 331 121.350 121.350 118.820 2.530 17775 2102 1 4 . 1 1 56 56 ASP HA H 331 4.420 4.420 4.337 0.083 17775 2103 1 4 . 1 1 56 56 ASP C C 331 179.100 179.100 178.385 0.715 17775 2104 1 4 . 1 1 56 56 ASP CA C 331 57.430 57.430 57.617 -0.187 17775 2105 1 4 . 1 1 56 56 ASP CB C 331 39.630 39.630 40.164 -0.534 17775 2106 1 4 . 1 1 56 56 ASP H H 331 8.820 8.820 7.934 0.886 17775 2107 1 4 . 1 1 57 57 ASP N N 332 121.570 121.570 120.099 1.471 17775 2108 1 4 . 1 1 57 57 ASP HA H 332 4.490 4.490 4.334 0.156 17775 2109 1 4 . 1 1 57 57 ASP C C 332 179.080 179.080 178.489 0.591 17775 2110 1 4 . 1 1 57 57 ASP CA C 332 57.380 57.380 57.320 0.060 17775 2111 1 4 . 1 1 57 57 ASP CB C 332 40.440 40.440 40.509 -0.069 17775 2112 1 4 . 1 1 57 57 ASP H H 332 8.420 8.420 8.236 0.184 17775 2113 1 4 . 1 1 58 58 ARG N N 333 120.250 120.250 120.283 -0.033 17775 2114 1 4 . 1 1 58 58 ARG HA H 333 3.940 3.940 3.964 -0.024 17775 2115 1 4 . 1 1 58 58 ARG C C 333 177.770 177.770 178.533 -0.763 17775 2116 1 4 . 1 1 58 58 ARG CA C 333 58.790 58.790 59.669 -0.879 17775 2117 1 4 . 1 1 58 58 ARG CB C 333 30.300 30.300 30.304 -0.004 17775 2118 1 4 . 1 1 58 58 ARG H H 333 7.900 7.900 7.783 0.117 17775 2119 1 4 . 1 1 59 59 THR N N 334 115.160 115.160 116.231 -1.071 17775 2120 1 4 . 1 1 59 59 THR HA H 334 3.960 3.960 4.075 -0.115 17775 2121 1 4 . 1 1 59 59 THR C C 334 176.690 176.690 176.687 0.003 17775 2122 1 4 . 1 1 59 59 THR CA C 334 66.430 66.430 67.046 -0.616 17775 2123 1 4 . 1 1 59 59 THR CB C 334 68.720 68.720 68.317 0.403 17775 2124 1 4 . 1 1 59 59 THR H H 334 7.940 7.940 7.604 0.336 17775 2125 1 4 . 1 1 60 60 LEU N N 335 123.040 123.040 121.380 1.660 17775 2126 1 4 . 1 1 60 60 LEU HA H 335 4.070 4.070 3.934 0.136 17775 2127 1 4 . 1 1 60 60 LEU C C 335 180.040 180.040 178.703 1.337 17775 2128 1 4 . 1 1 60 60 LEU CA C 335 57.690 57.690 57.941 -0.251 17775 2129 1 4 . 1 1 60 60 LEU CB C 335 41.810 41.810 41.573 0.237 17775 2130 1 4 . 1 1 60 60 LEU H H 335 7.860 7.860 7.854 0.006 17775 2131 1 4 . 1 1 61 61 LEU N N 336 121.600 121.600 119.903 1.697 17775 2132 1 4 . 1 1 61 61 LEU HA H 336 4.020 4.020 3.884 0.136 17775 2133 1 4 . 1 1 61 61 LEU C C 336 179.360 179.360 178.514 0.846 17775 2134 1 4 . 1 1 61 61 LEU CA C 336 57.900 57.900 58.218 -0.318 17775 2135 1 4 . 1 1 61 61 LEU CB C 336 41.970 41.970 41.890 0.080 17775 2136 1 4 . 1 1 61 61 LEU H H 336 8.180 8.180 7.979 0.201 17775 2137 1 4 . 1 1 62 62 MET N N 337 116.900 116.900 118.818 -1.918 17775 2138 1 4 . 1 1 62 62 MET HA H 337 4.110 4.110 3.839 0.271 17775 2139 1 4 . 1 1 62 62 MET C C 337 179.750 179.750 177.923 1.827 17775 2140 1 4 . 1 1 62 62 MET CA C 337 57.850 57.850 59.220 -1.370 17775 2141 1 4 . 1 1 62 62 MET CB C 337 32.200 32.200 32.480 -0.280 17775 2142 1 4 . 1 1 62 62 MET H H 337 8.160 8.160 7.669 0.491 17775 2143 1 4 . 1 1 63 63 ALA N N 338 122.990 122.990 120.335 2.655 17775 2144 1 4 . 1 1 63 63 ALA HA H 338 4.110 4.110 4.005 0.105 17775 2145 1 4 . 1 1 63 63 ALA C C 338 180.420 180.420 179.539 0.881 17775 2146 1 4 . 1 1 63 63 ALA CA C 338 55.270 55.270 55.264 0.006 17775 2147 1 4 . 1 1 63 63 ALA CB C 338 17.960 17.960 18.017 -0.057 17775 2148 1 4 . 1 1 63 63 ALA H H 338 8.090 8.090 7.797 0.293 17775 2149 1 4 . 1 1 64 64 GLY N N 339 106.980 106.980 106.996 -0.016 17775 2150 1 4 . 1 1 64 64 GLY C C 339 175.240 175.240 176.196 -0.956 17775 2151 1 4 . 1 1 64 64 GLY CA C 339 47.190 47.190 47.111 0.078 17775 2152 1 4 . 1 1 64 64 GLY H H 339 8.070 8.070 7.871 0.199 17775 2153 1 4 . 1 1 65 65 VAL N N 340 120.660 120.660 122.215 -1.555 17775 2154 1 4 . 1 1 65 65 VAL HA H 340 3.780 3.780 3.518 0.262 17775 2155 1 4 . 1 1 65 65 VAL C C 340 176.960 176.960 178.150 -1.190 17775 2156 1 4 . 1 1 65 65 VAL CA C 340 65.620 65.620 66.376 -0.756 17775 2157 1 4 . 1 1 65 65 VAL CB C 340 31.690 31.690 31.577 0.113 17775 2158 1 4 . 1 1 65 65 VAL H H 340 8.100 8.100 7.742 0.358 17775 2159 1 4 . 1 1 66 66 SER N N 341 112.150 112.150 115.793 -3.643 17775 2160 1 4 . 1 1 66 66 SER HA H 341 4.000 4.000 4.024 -0.024 17775 2161 1 4 . 1 1 66 66 SER C C 341 175.860 175.860 176.736 -0.876 17775 2162 1 4 . 1 1 66 66 SER CA C 341 61.240 61.240 61.751 -0.510 17775 2163 1 4 . 1 1 66 66 SER CB C 341 63.260 63.260 63.109 0.151 17775 2164 1 4 . 1 1 66 66 SER H H 341 7.810 7.810 7.813 -0.003 17775 2165 1 4 . 1 1 67 67 HIS N N 342 118.910 118.910 121.163 -2.253 17775 2166 1 4 . 1 1 67 67 HIS HA H 342 4.440 4.440 4.229 0.211 17775 2167 1 4 . 1 1 67 67 HIS C C 342 177.780 177.780 177.928 -0.148 17775 2168 1 4 . 1 1 67 67 HIS CA C 342 59.160 59.160 59.831 -0.671 17775 2169 1 4 . 1 1 67 67 HIS CB C 342 30.400 30.400 29.929 0.471 17775 2170 1 4 . 1 1 67 67 HIS H H 342 7.830 7.830 7.950 -0.120 17775 2171 1 4 . 1 1 68 68 ASP N N 343 120.590 120.590 120.005 0.585 17775 2172 1 4 . 1 1 68 68 ASP HA H 343 4.440 4.440 4.331 0.109 17775 2173 1 4 . 1 1 68 68 ASP C C 343 178.470 178.470 178.788 -0.318 17775 2174 1 4 . 1 1 68 68 ASP CA C 343 57.500 57.500 57.165 0.335 17775 2175 1 4 . 1 1 68 68 ASP CB C 343 39.880 39.880 40.456 -0.576 17775 2176 1 4 . 1 1 68 68 ASP H H 343 8.580 8.580 7.946 0.634 17775 2177 1 4 . 1 1 69 69 LEU N N 344 117.900 117.900 119.819 -1.919 17775 2178 1 4 . 1 1 69 69 LEU HA H 344 4.190 4.190 3.991 0.199 17775 2179 1 4 . 1 1 69 69 LEU C C 344 177.010 177.010 178.349 -1.339 17775 2180 1 4 . 1 1 69 69 LEU CA C 344 56.810 56.810 57.219 -0.409 17775 2181 1 4 . 1 1 69 69 LEU CB C 344 43.300 43.300 41.458 1.842 17775 2182 1 4 . 1 1 69 69 LEU H H 344 8.300 8.300 7.923 0.377 17775 2183 1 4 . 1 1 70 70 ARG N N 345 114.380 114.380 118.694 -4.314 17775 2184 1 4 . 1 1 70 70 ARG HA H 345 3.930 3.930 3.892 0.038 17775 2185 1 4 . 1 1 70 70 ARG C C 345 178.840 178.840 178.060 0.780 17775 2186 1 4 . 1 1 70 70 ARG CA C 345 59.420 59.420 59.984 -0.564 17775 2187 1 4 . 1 1 70 70 ARG CB C 345 30.210 30.210 30.030 0.180 17775 2188 1 4 . 1 1 70 70 ARG H H 345 7.280 7.280 7.790 -0.510 17775 2189 1 4 . 1 1 71 71 THR N N 346 115.370 115.370 115.002 0.368 17775 2190 1 4 . 1 1 71 71 THR HA H 346 4.060 4.060 4.129 -0.069 17775 2191 1 4 . 1 1 71 71 THR CA C 346 68.800 68.800 68.691 0.109 17775 2192 1 4 . 1 1 71 71 THR CB C 346 66.590 66.590 66.518 0.072 17775 2193 1 4 . 1 1 71 71 THR H H 346 7.540 7.540 7.646 -0.106 17775 2194 1 4 . 1 1 72 72 PRO HA H 347 4.090 4.090 4.248 -0.158 17775 2195 1 4 . 1 1 72 72 PRO CA C 347 65.860 65.860 65.826 0.034 17775 2196 1 4 . 1 1 72 72 PRO CB C 347 31.380 31.380 31.235 0.145 17775 2197 1 4 . 1 1 73 73 LEU N N 348 114.830 114.830 118.826 -3.996 17775 2198 1 4 . 1 1 73 73 LEU HA H 348 3.950 3.950 3.904 0.046 17775 2199 1 4 . 1 1 73 73 LEU C C 348 179.120 179.120 179.014 0.106 17775 2200 1 4 . 1 1 73 73 LEU CA C 348 58.450 58.450 58.232 0.218 17775 2201 1 4 . 1 1 73 73 LEU CB C 348 41.320 41.320 41.330 -0.010 17775 2202 1 4 . 1 1 73 73 LEU H H 348 6.970 6.970 7.592 -0.622 17775 2203 1 4 . 1 1 74 74 THR N N 349 116.230 116.230 114.717 1.513 17775 2204 1 4 . 1 1 74 74 THR HA H 349 3.880 3.880 3.854 0.026 17775 2205 1 4 . 1 1 74 74 THR C C 349 176.100 176.100 176.627 -0.527 17775 2206 1 4 . 1 1 74 74 THR CA C 349 66.760 66.760 66.851 -0.091 17775 2207 1 4 . 1 1 74 74 THR CB C 349 68.770 68.770 68.423 0.347 17775 2208 1 4 . 1 1 74 74 THR H H 349 8.090 8.090 7.891 0.199 17775 2209 1 4 . 1 1 75 75 ARG N N 350 121.190 121.190 122.140 -0.950 17775 2210 1 4 . 1 1 75 75 ARG HA H 350 3.970 3.970 4.003 -0.033 17775 2211 1 4 . 1 1 75 75 ARG C C 350 180.130 180.130 178.590 1.540 17775 2212 1 4 . 1 1 75 75 ARG CA C 350 61.030 61.030 59.586 1.444 17775 2213 1 4 . 1 1 75 75 ARG CB C 350 31.080 31.080 30.096 0.984 17775 2214 1 4 . 1 1 75 75 ARG H H 350 7.570 7.570 7.643 -0.073 17775 2215 1 4 . 1 1 76 76 ILE N N 351 122.150 122.150 119.727 2.423 17775 2216 1 4 . 1 1 76 76 ILE HA H 351 3.700 3.700 3.614 0.086 17775 2217 1 4 . 1 1 76 76 ILE C C 351 177.070 177.070 177.752 -0.682 17775 2218 1 4 . 1 1 76 76 ILE CA C 351 65.560 65.560 65.259 0.301 17775 2219 1 4 . 1 1 76 76 ILE CB C 351 37.650 37.650 37.567 0.083 17775 2220 1 4 . 1 1 76 76 ILE H H 351 8.060 8.060 7.862 0.198 17775 2221 1 4 . 1 1 77 77 ARG N N 352 120.120 120.120 120.484 -0.364 17775 2222 1 4 . 1 1 77 77 ARG HA H 352 3.930 3.930 4.041 -0.111 17775 2223 1 4 . 1 1 77 77 ARG C C 352 179.580 179.580 179.088 0.492 17775 2224 1 4 . 1 1 77 77 ARG CA C 352 59.340 59.340 59.404 -0.064 17775 2225 1 4 . 1 1 77 77 ARG CB C 352 29.690 29.690 30.289 -0.599 17775 2226 1 4 . 1 1 77 77 ARG H H 352 7.700 7.700 7.663 0.037 17775 2227 1 4 . 1 1 78 78 LEU N N 353 119.970 119.970 118.995 0.975 17775 2228 1 4 . 1 1 78 78 LEU HA H 353 4.000 4.000 3.975 0.025 17775 2229 1 4 . 1 1 78 78 LEU C C 353 179.600 179.600 178.746 0.854 17775 2230 1 4 . 1 1 78 78 LEU CA C 353 57.910 57.910 57.686 0.224 17775 2231 1 4 . 1 1 78 78 LEU CB C 353 41.430 41.430 41.797 -0.367 17775 2232 1 4 . 1 1 78 78 LEU H H 353 8.260 8.260 7.782 0.478 17775 2233 1 4 . 1 1 79 79 ALA N N 354 122.390 122.390 120.936 1.454 17775 2234 1 4 . 1 1 79 79 ALA HA H 354 4.070 4.070 4.021 0.049 17775 2235 1 4 . 1 1 79 79 ALA C C 354 180.620 180.620 179.326 1.294 17775 2236 1 4 . 1 1 79 79 ALA CA C 354 55.270 55.270 54.896 0.374 17775 2237 1 4 . 1 1 79 79 ALA CB C 354 18.030 18.030 18.639 -0.609 17775 2238 1 4 . 1 1 79 79 ALA H H 354 7.850 7.850 7.816 0.034 17775 2239 1 4 . 1 1 80 80 THR N N 355 107.540 107.540 110.538 -2.998 17775 2240 1 4 . 1 1 80 80 THR HA H 355 3.990 3.990 4.046 -0.056 17775 2241 1 4 . 1 1 80 80 THR C C 355 177.250 177.250 176.868 0.382 17775 2242 1 4 . 1 1 80 80 THR CA C 355 64.970 64.970 64.755 0.215 17775 2243 1 4 . 1 1 80 80 THR CB C 355 69.020 69.020 68.752 0.267 17775 2244 1 4 . 1 1 80 80 THR H H 355 7.930 7.930 8.011 -0.081 17775 2245 1 4 . 1 1 81 81 GLU N N 356 120.380 120.380 119.695 0.685 17775 2246 1 4 . 1 1 81 81 GLU HA H 356 4.090 4.090 4.232 -0.142 17775 2247 1 4 . 1 1 81 81 GLU C C 356 177.280 177.280 177.427 -0.147 17775 2248 1 4 . 1 1 81 81 GLU CA C 356 58.020 58.020 57.839 0.181 17775 2249 1 4 . 1 1 81 81 GLU CB C 356 29.490 29.490 29.473 0.017 17775 2250 1 4 . 1 1 81 81 GLU H H 356 7.380 7.380 7.691 -0.311 17775 2251 1 4 . 1 1 82 82 MET N N 357 115.510 115.510 116.680 -1.170 17775 2252 1 4 . 1 1 82 82 MET HA H 357 4.480 4.480 4.312 0.168 17775 2253 1 4 . 1 1 82 82 MET C C 357 176.140 176.140 176.477 -0.337 17775 2254 1 4 . 1 1 82 82 MET CA C 357 54.810 54.810 55.938 -1.127 17775 2255 1 4 . 1 1 82 82 MET CB C 357 32.660 32.660 33.489 -0.829 17775 2256 1 4 . 1 1 82 82 MET H H 357 7.480 7.480 7.377 0.103 17775 2257 1 4 . 1 1 83 83 MET N N 358 119.530 119.530 118.100 1.430 17775 2258 1 4 . 1 1 83 83 MET HA H 358 4.020 4.020 4.291 -0.271 17775 2259 1 4 . 1 1 83 83 MET C C 358 175.670 175.670 176.381 -0.711 17775 2260 1 4 . 1 1 83 83 MET CA C 358 57.430 57.430 55.591 1.839 17775 2261 1 4 . 1 1 83 83 MET CB C 358 33.860 33.860 33.153 0.707 17775 2262 1 4 . 1 1 83 83 MET H H 358 7.010 7.010 7.373 -0.363 17775 2263 1 4 . 1 1 84 84 SER N N 359 119.110 119.110 118.446 0.664 17775 2264 1 4 . 1 1 84 84 SER HA H 359 4.300 4.300 4.529 -0.229 17775 2265 1 4 . 1 1 84 84 SER C C 359 176.160 176.160 175.500 0.660 17775 2266 1 4 . 1 1 84 84 SER CA C 359 59.170 59.170 57.574 1.597 17775 2267 1 4 . 1 1 84 84 SER CB C 359 64.540 64.540 64.290 0.250 17775 2268 1 4 . 1 1 84 84 SER H H 359 9.630 9.630 8.241 1.389 17775 2269 1 4 . 1 1 85 85 GLU N N 360 124.090 124.090 121.433 2.657 17775 2270 1 4 . 1 1 85 85 GLU CA C 360 58.880 58.880 58.849 0.031 17775 2271 1 4 . 1 1 85 85 GLU CB C 360 29.560 29.560 29.422 0.137 17775 2272 1 4 . 1 1 85 85 GLU H H 360 8.810 8.810 9.002 -0.192 17775 2273 1 4 . 1 1 86 86 GLN HA H 361 4.220 4.220 4.162 0.058 17775 2274 1 4 . 1 1 86 86 GLN C C 361 176.370 176.370 176.966 -0.596 17775 2275 1 4 . 1 1 86 86 GLN CA C 361 58.440 58.440 58.066 0.374 17775 2276 1 4 . 1 1 86 86 GLN CB C 361 28.290 28.290 28.824 -0.534 17775 2277 1 4 . 1 1 87 87 ASP N N 362 118.700 118.700 117.589 1.111 17775 2278 1 4 . 1 1 87 87 ASP HA H 362 5.070 5.070 4.769 0.301 17775 2279 1 4 . 1 1 87 87 ASP C C 362 176.740 176.740 176.880 -0.140 17775 2280 1 4 . 1 1 87 87 ASP CA C 362 53.710 53.710 53.117 0.592 17775 2281 1 4 . 1 1 87 87 ASP CB C 362 40.980 40.980 40.796 0.184 17775 2282 1 4 . 1 1 87 87 ASP H H 362 7.640 7.640 7.538 0.102 17775 2283 1 4 . 1 1 88 88 GLY N N 363 110.410 110.410 109.391 1.019 17775 2284 1 4 . 1 1 88 88 GLY CA C 363 47.890 47.890 47.541 0.349 17775 2285 1 4 . 1 1 88 88 GLY H H 363 7.940 7.940 8.257 -0.317 17775 2286 1 4 . 1 1 89 89 TYR HA H 364 4.430 4.430 4.252 0.178 17775 2287 1 4 . 1 1 89 89 TYR C C 364 177.600 177.600 177.401 0.199 17775 2288 1 4 . 1 1 89 89 TYR CA C 364 59.970 59.970 58.777 1.193 17775 2289 1 4 . 1 1 89 89 TYR CB C 364 37.100 37.100 37.057 0.043 17775 2290 1 4 . 1 1 89 89 TYR H H 364 8.470 8.470 8.393 0.077 17775 2291 1 4 . 1 1 90 90 LEU N N 365 124.000 124.000 119.659 4.341 17775 2292 1 4 . 1 1 90 90 LEU HA H 365 3.920 3.920 3.890 0.030 17775 2293 1 4 . 1 1 90 90 LEU C C 365 178.180 178.180 178.568 -0.388 17775 2294 1 4 . 1 1 90 90 LEU CA C 365 57.050 57.050 56.466 0.584 17775 2295 1 4 . 1 1 90 90 LEU CB C 365 41.930 41.930 41.500 0.430 17775 2296 1 4 . 1 1 90 90 LEU H H 365 7.080 7.080 6.992 0.088 17775 2297 1 4 . 1 1 91 91 ALA N N 366 123.150 123.150 122.337 0.813 17775 2298 1 4 . 1 1 91 91 ALA HA H 366 3.790 3.790 3.989 -0.199 17775 2299 1 4 . 1 1 91 91 ALA C C 366 179.610 179.610 179.656 -0.046 17775 2300 1 4 . 1 1 91 91 ALA CA C 366 55.910 55.910 54.762 1.148 17775 2301 1 4 . 1 1 91 91 ALA CB C 366 18.450 18.450 18.272 0.178 17775 2302 1 4 . 1 1 91 91 ALA H H 366 7.880 7.880 7.991 -0.111 17775 2303 1 4 . 1 1 92 92 GLU N N 367 116.750 116.750 118.418 -1.668 17775 2304 1 4 . 1 1 92 92 GLU HA H 367 4.010 4.010 3.987 0.023 17775 2305 1 4 . 1 1 92 92 GLU C C 367 177.910 177.910 179.196 -1.286 17775 2306 1 4 . 1 1 92 92 GLU CA C 367 59.420 59.420 59.693 -0.273 17775 2307 1 4 . 1 1 92 92 GLU CB C 367 29.620 29.620 29.495 0.125 17775 2308 1 4 . 1 1 92 92 GLU H H 367 8.100 8.100 8.512 -0.412 17775 2309 1 4 . 1 1 93 93 SER N N 368 115.480 115.480 114.879 0.601 17775 2310 1 4 . 1 1 93 93 SER HA H 368 4.060 4.060 4.191 -0.131 17775 2311 1 4 . 1 1 93 93 SER C C 368 176.360 176.360 176.590 -0.230 17775 2312 1 4 . 1 1 93 93 SER CA C 368 61.610 61.610 61.924 -0.314 17775 2313 1 4 . 1 1 93 93 SER CB C 368 63.080 63.080 62.996 0.084 17775 2314 1 4 . 1 1 93 93 SER H H 368 7.520 7.520 7.403 0.117 17775 2315 1 4 . 1 1 94 94 ILE N N 369 121.710 121.710 121.936 -0.226 17775 2316 1 4 . 1 1 94 94 ILE HA H 369 4.000 4.000 4.008 -0.008 17775 2317 1 4 . 1 1 94 94 ILE C C 369 178.000 178.000 177.954 0.046 17775 2318 1 4 . 1 1 94 94 ILE CA C 369 65.470 65.470 64.820 0.650 17775 2319 1 4 . 1 1 94 94 ILE CB C 369 38.030 38.030 37.625 0.405 17775 2320 1 4 . 1 1 94 94 ILE H H 369 8.400 8.400 7.451 0.949 17775 2321 1 4 . 1 1 95 95 ASN N N 370 117.810 117.810 118.956 -1.146 17775 2322 1 4 . 1 1 95 95 ASN HA H 370 4.290 4.290 4.368 -0.078 17775 2323 1 4 . 1 1 95 95 ASN C C 370 179.730 179.730 177.480 2.250 17775 2324 1 4 . 1 1 95 95 ASN CA C 370 57.340 57.340 57.234 0.106 17775 2325 1 4 . 1 1 95 95 ASN CB C 370 38.280 38.280 38.365 -0.085 17775 2326 1 4 . 1 1 95 95 ASN H H 370 8.270 8.270 8.097 0.173 17775 2327 1 4 . 1 1 96 96 LYS N N 371 121.220 121.220 119.837 1.383 17775 2328 1 4 . 1 1 96 96 LYS HA H 371 4.090 4.090 3.990 0.100 17775 2329 1 4 . 1 1 96 96 LYS C C 371 179.250 179.250 178.558 0.692 17775 2330 1 4 . 1 1 96 96 LYS CA C 371 59.650 59.650 59.715 -0.065 17775 2331 1 4 . 1 1 96 96 LYS CB C 371 31.730 31.730 32.328 -0.598 17775 2332 1 4 . 1 1 96 96 LYS H H 371 7.960 7.960 7.846 0.114 17775 2333 1 4 . 1 1 97 97 ASP N N 372 122.870 122.870 120.004 2.866 17775 2334 1 4 . 1 1 97 97 ASP HA H 372 4.060 4.060 4.443 -0.383 17775 2335 1 4 . 1 1 97 97 ASP C C 372 179.300 179.300 178.793 0.507 17775 2336 1 4 . 1 1 97 97 ASP CA C 372 58.400 58.400 57.277 1.123 17775 2337 1 4 . 1 1 97 97 ASP CB C 372 41.130 41.130 40.468 0.662 17775 2338 1 4 . 1 1 97 97 ASP H H 372 7.920 7.920 7.729 0.191 17775 2339 1 4 . 1 1 98 98 ILE N N 373 123.090 123.090 120.324 2.766 17775 2340 1 4 . 1 1 98 98 ILE HA H 373 3.620 3.620 3.640 -0.020 17775 2341 1 4 . 1 1 98 98 ILE C C 373 178.330 178.330 177.747 0.583 17775 2342 1 4 . 1 1 98 98 ILE CA C 373 65.080 65.080 65.397 -0.317 17775 2343 1 4 . 1 1 98 98 ILE CB C 373 37.260 37.260 37.835 -0.575 17775 2344 1 4 . 1 1 98 98 ILE H H 373 8.720 8.720 7.845 0.875 17775 2345 1 4 . 1 1 99 99 GLU N N 374 120.550 120.550 120.127 0.423 17775 2346 1 4 . 1 1 99 99 GLU HA H 374 4.120 4.120 3.887 0.233 17775 2347 1 4 . 1 1 99 99 GLU C C 374 179.740 179.740 178.600 1.140 17775 2348 1 4 . 1 1 99 99 GLU CA C 374 59.570 59.570 59.965 -0.396 17775 2349 1 4 . 1 1 99 99 GLU CB C 374 28.910 28.910 29.402 -0.492 17775 2350 1 4 . 1 1 99 99 GLU H H 374 8.100 8.100 7.941 0.159 17775 2351 1 4 . 1 1 100 100 GLU N N 375 122.040 122.040 119.997 2.043 17775 2352 1 4 . 1 1 100 100 GLU HA H 375 4.140 4.140 4.052 0.088 17775 2353 1 4 . 1 1 100 100 GLU C C 375 178.810 178.810 178.938 -0.128 17775 2354 1 4 . 1 1 100 100 GLU CA C 375 59.830 59.830 59.400 0.430 17775 2355 1 4 . 1 1 100 100 GLU CB C 375 29.220 29.220 29.613 -0.393 17775 2356 1 4 . 1 1 100 100 GLU H H 375 8.060 8.060 7.836 0.224 17775 2357 1 4 . 1 1 101 101 CYS N N 376 117.330 117.330 117.595 -0.265 17775 2358 1 4 . 1 1 101 101 CYS HA H 376 3.960 3.960 4.054 -0.094 17775 2359 1 4 . 1 1 101 101 CYS C C 376 176.540 176.540 177.078 -0.538 17775 2360 1 4 . 1 1 101 101 CYS CA C 376 64.510 64.510 64.288 0.222 17775 2361 1 4 . 1 1 101 101 CYS CB C 376 27.270 27.270 27.371 -0.101 17775 2362 1 4 . 1 1 101 101 CYS H H 376 8.130 8.130 7.857 0.273 17775 2363 1 4 . 1 1 102 102 ASN N N 377 117.140 117.140 118.368 -1.228 17775 2364 1 4 . 1 1 102 102 ASN HA H 377 4.290 4.290 4.418 -0.128 17775 2365 1 4 . 1 1 102 102 ASN C C 377 176.980 176.980 176.967 0.013 17775 2366 1 4 . 1 1 102 102 ASN CA C 377 56.460 56.460 56.261 0.199 17775 2367 1 4 . 1 1 102 102 ASN CB C 377 38.440 38.440 38.304 0.136 17775 2368 1 4 . 1 1 102 102 ASN H H 377 8.430 8.430 8.007 0.423 17775 2369 1 4 . 1 1 103 103 ALA N N 378 123.350 123.350 122.782 0.568 17775 2370 1 4 . 1 1 103 103 ALA HA H 378 4.130 4.130 4.049 0.081 17775 2371 1 4 . 1 1 103 103 ALA C C 378 180.510 180.510 179.776 0.734 17775 2372 1 4 . 1 1 103 103 ALA CA C 378 55.120 55.120 55.122 -0.002 17775 2373 1 4 . 1 1 103 103 ALA CB C 378 17.960 17.960 18.338 -0.378 17775 2374 1 4 . 1 1 103 103 ALA H H 378 8.130 8.130 7.981 0.149 17775 2375 1 4 . 1 1 104 104 ILE N N 379 120.880 120.880 119.182 1.698 17775 2376 1 4 . 1 1 104 104 ILE HA H 379 3.680 3.680 3.621 0.059 17775 2377 1 4 . 1 1 104 104 ILE C C 379 178.260 178.260 178.126 0.134 17775 2378 1 4 . 1 1 104 104 ILE CA C 379 64.860 64.860 65.812 -0.952 17775 2379 1 4 . 1 1 104 104 ILE CB C 379 38.080 38.080 38.018 0.062 17775 2380 1 4 . 1 1 104 104 ILE H H 379 8.010 8.010 7.687 0.323 17775 2381 1 4 . 1 1 105 105 ILE N N 380 119.970 119.970 120.194 -0.224 17775 2382 1 4 . 1 1 105 105 ILE HA H 380 3.430 3.430 3.824 -0.394 17775 2383 1 4 . 1 1 105 105 ILE C C 380 177.660 177.660 178.350 -0.690 17775 2384 1 4 . 1 1 105 105 ILE CA C 380 65.490 65.490 65.669 -0.179 17775 2385 1 4 . 1 1 105 105 ILE CB C 380 38.060 38.060 37.786 0.274 17775 2386 1 4 . 1 1 105 105 ILE H H 380 8.060 8.060 7.803 0.257 17775 2387 1 4 . 1 1 106 106 GLU N N 381 118.640 118.640 119.592 -0.952 17775 2388 1 4 . 1 1 106 106 GLU HA H 381 3.970 3.970 3.919 0.051 17775 2389 1 4 . 1 1 106 106 GLU C C 381 178.440 178.440 178.982 -0.542 17775 2390 1 4 . 1 1 106 106 GLU CA C 381 59.260 59.260 59.388 -0.128 17775 2391 1 4 . 1 1 106 106 GLU CB C 381 29.570 29.570 29.212 0.358 17775 2392 1 4 . 1 1 106 106 GLU H H 381 8.140 8.140 8.050 0.090 17775 2393 1 4 . 1 1 107 107 GLN N N 382 117.770 117.770 118.447 -0.677 17775 2394 1 4 . 1 1 107 107 GLN HA H 382 4.040 4.040 3.714 0.326 17775 2395 1 4 . 1 1 107 107 GLN C C 382 177.550 177.550 178.599 -1.049 17775 2396 1 4 . 1 1 107 107 GLN CA C 382 58.170 58.170 58.717 -0.547 17775 2397 1 4 . 1 1 107 107 GLN CB C 382 28.770 28.770 28.326 0.444 17775 2398 1 4 . 1 1 107 107 GLN H H 382 7.710 7.710 7.881 -0.171 17775 2399 1 4 . 1 1 108 108 PHE N N 383 118.750 118.750 119.435 -0.685 17775 2400 1 4 . 1 1 108 108 PHE HA H 383 4.490 4.490 4.365 0.125 17775 2401 1 4 . 1 1 108 108 PHE C C 383 176.570 176.570 178.159 -1.589 17775 2402 1 4 . 1 1 108 108 PHE CA C 383 59.360 59.360 62.482 -3.122 17775 2403 1 4 . 1 1 108 108 PHE CB C 383 38.760 38.760 38.719 0.041 17775 2404 1 4 . 1 1 108 108 PHE H H 383 7.880 7.880 7.822 0.058 17775 2405 1 4 . 1 1 109 109 ILE N N 384 118.200 118.200 119.478 -1.278 17775 2406 1 4 . 1 1 109 109 ILE HA H 384 3.720 3.720 3.791 -0.071 17775 2407 1 4 . 1 1 109 109 ILE C C 384 177.450 177.450 177.046 0.404 17775 2408 1 4 . 1 1 109 109 ILE CA C 384 64.280 64.280 64.829 -0.549 17775 2409 1 4 . 1 1 109 109 ILE CB C 384 37.870 37.870 37.928 -0.058 17775 2410 1 4 . 1 1 109 109 ILE H H 384 7.950 7.950 7.670 0.280 17775 2411 1 4 . 1 1 110 110 ASP N N 385 119.750 119.750 117.759 1.991 17775 2412 1 4 . 1 1 110 110 ASP HA H 385 4.440 4.440 4.299 0.141 17775 2413 1 4 . 1 1 110 110 ASP C C 385 177.620 177.620 177.889 -0.269 17775 2414 1 4 . 1 1 110 110 ASP CA C 385 56.500 56.500 56.942 -0.442 17775 2415 1 4 . 1 1 110 110 ASP CB C 385 40.860 40.860 40.779 0.081 17775 2416 1 4 . 1 1 110 110 ASP H H 385 7.840 7.840 7.747 0.093 17775 2417 1 4 . 1 1 111 111 TYR N N 386 118.370 118.370 117.444 0.926 17775 2418 1 4 . 1 1 111 111 TYR HA H 386 4.430 4.430 4.322 0.108 17775 2419 1 4 . 1 1 111 111 TYR C C 386 176.320 176.320 177.236 -0.916 17775 2420 1 4 . 1 1 111 111 TYR CA C 386 58.940 58.940 59.510 -0.570 17775 2421 1 4 . 1 1 111 111 TYR CB C 386 38.440 38.440 38.804 -0.364 17775 2422 1 4 . 1 1 111 111 TYR H H 386 7.760 7.760 7.386 0.374 17775 2423 1 4 . 1 1 112 112 LEU N N 387 119.730 119.730 120.593 -0.863 17775 2424 1 4 . 1 1 112 112 LEU HA H 387 4.230 4.230 4.236 -0.006 17775 2425 1 4 . 1 1 112 112 LEU C C 387 175.900 175.900 176.157 -0.257 17775 2426 1 4 . 1 1 112 112 LEU CA C 387 55.090 55.090 55.015 0.075 17775 2427 1 4 . 1 1 112 112 LEU CB C 387 42.670 42.670 42.307 0.363 17775 2428 1 4 . 1 1 112 112 LEU H H 387 7.660 7.660 7.656 0.004 17775 2429 1 5 . 1 1 5 5 ILE HA H 280 4.190 4.190 3.777 0.412 17775 2430 1 5 . 1 1 5 5 ILE CA C 280 61.650 61.650 64.341 -2.691 17775 2431 1 5 . 1 1 5 5 ILE CB C 280 38.520 38.520 37.493 1.027 17775 2432 1 5 . 1 1 6 6 THR HA H 281 4.340 4.340 3.983 0.357 17775 2433 1 5 . 1 1 6 6 THR CA C 281 62.680 62.680 66.550 -3.870 17775 2434 1 5 . 1 1 6 6 THR CB C 281 69.630 69.630 68.380 1.250 17775 2435 1 5 . 1 1 8 8 PRO HA H 283 4.230 4.230 4.496 -0.266 17775 2436 1 5 . 1 1 8 8 PRO CA C 283 65.940 65.940 65.749 0.191 17775 2437 1 5 . 1 1 8 8 PRO CB C 283 30.730 30.730 30.813 -0.083 17775 2438 1 5 . 1 1 9 9 ILE N N 284 115.670 115.670 118.885 -3.215 17775 2439 1 5 . 1 1 9 9 ILE HA H 284 3.420 3.420 3.831 -0.411 17775 2440 1 5 . 1 1 9 9 ILE C C 284 177.820 177.820 178.281 -0.461 17775 2441 1 5 . 1 1 9 9 ILE CA C 284 65.540 65.540 63.775 1.765 17775 2442 1 5 . 1 1 9 9 ILE CB C 284 36.810 36.810 36.857 -0.047 17775 2443 1 5 . 1 1 9 9 ILE H H 284 7.300 7.300 7.215 0.085 17775 2444 1 5 . 1 1 10 10 ILE N N 285 121.880 121.880 120.740 1.140 17775 2445 1 5 . 1 1 10 10 ILE HA H 285 3.800 3.800 3.815 -0.015 17775 2446 1 5 . 1 1 10 10 ILE C C 285 177.690 177.690 178.987 -1.297 17775 2447 1 5 . 1 1 10 10 ILE CA C 285 62.880 62.880 63.170 -0.290 17775 2448 1 5 . 1 1 10 10 ILE CB C 285 36.560 36.560 36.324 0.236 17775 2449 1 5 . 1 1 10 10 ILE H H 285 7.880 7.880 7.697 0.183 17775 2450 1 5 . 1 1 11 11 GLU N N 286 120.580 120.580 120.399 0.181 17775 2451 1 5 . 1 1 11 11 GLU HA H 286 4.080 4.080 4.059 0.021 17775 2452 1 5 . 1 1 11 11 GLU C C 286 180.980 180.980 179.533 1.447 17775 2453 1 5 . 1 1 11 11 GLU CA C 286 59.630 59.630 59.792 -0.162 17775 2454 1 5 . 1 1 11 11 GLU CB C 286 29.550 29.550 29.592 -0.042 17775 2455 1 5 . 1 1 11 11 GLU H H 286 8.450 8.450 7.893 0.557 17775 2456 1 5 . 1 1 12 12 LEU N N 287 121.340 121.340 119.436 1.904 17775 2457 1 5 . 1 1 12 12 LEU HA H 287 4.010 4.010 4.055 -0.045 17775 2458 1 5 . 1 1 12 12 LEU C C 287 178.030 178.030 179.047 -1.017 17775 2459 1 5 . 1 1 12 12 LEU CA C 287 58.310 58.310 58.098 0.212 17775 2460 1 5 . 1 1 12 12 LEU CB C 287 42.050 42.050 41.934 0.116 17775 2461 1 5 . 1 1 12 12 LEU H H 287 8.490 8.490 7.986 0.504 17775 2462 1 5 . 1 1 13 13 SER N N 288 117.590 117.590 114.951 2.639 17775 2463 1 5 . 1 1 13 13 SER HA H 288 4.190 4.190 4.080 0.110 17775 2464 1 5 . 1 1 13 13 SER C C 288 175.660 175.660 176.743 -1.083 17775 2465 1 5 . 1 1 13 13 SER CA C 288 61.670 61.670 61.859 -0.189 17775 2466 1 5 . 1 1 13 13 SER CB C 288 62.490 62.490 62.943 -0.453 17775 2467 1 5 . 1 1 13 13 SER H H 288 8.330 8.330 8.131 0.199 17775 2468 1 5 . 1 1 14 14 ASN N N 289 119.150 119.150 121.087 -1.937 17775 2469 1 5 . 1 1 14 14 ASN HA H 289 4.450 4.450 4.521 -0.071 17775 2470 1 5 . 1 1 14 14 ASN C C 289 178.480 178.480 177.856 0.624 17775 2471 1 5 . 1 1 14 14 ASN CA C 289 55.870 55.870 56.185 -0.315 17775 2472 1 5 . 1 1 14 14 ASN CB C 289 38.090 38.090 38.352 -0.262 17775 2473 1 5 . 1 1 14 14 ASN H H 289 8.650 8.650 8.238 0.412 17775 2474 1 5 . 1 1 15 15 THR N N 290 117.650 117.650 117.576 0.074 17775 2475 1 5 . 1 1 15 15 THR HA H 290 3.830 3.830 3.934 -0.104 17775 2476 1 5 . 1 1 15 15 THR C C 290 175.030 175.030 176.056 -1.026 17775 2477 1 5 . 1 1 15 15 THR CA C 290 67.790 67.790 67.091 0.699 17775 2478 1 5 . 1 1 15 15 THR CB C 290 68.660 68.660 68.747 -0.087 17775 2479 1 5 . 1 1 15 15 THR H H 290 8.040 8.040 8.050 -0.010 17775 2480 1 5 . 1 1 16 16 ALA N N 291 124.470 124.470 124.194 0.276 17775 2481 1 5 . 1 1 16 16 ALA HA H 291 3.850 3.850 3.922 -0.072 17775 2482 1 5 . 1 1 16 16 ALA C C 291 178.470 178.470 179.141 -0.671 17775 2483 1 5 . 1 1 16 16 ALA CA C 291 55.430 55.430 55.165 0.265 17775 2484 1 5 . 1 1 16 16 ALA CB C 291 17.820 17.820 18.233 -0.413 17775 2485 1 5 . 1 1 16 16 ALA H H 291 8.530 8.530 7.836 0.694 17775 2486 1 5 . 1 1 17 17 ASP N N 292 117.560 117.560 119.041 -1.481 17775 2487 1 5 . 1 1 17 17 ASP HA H 292 4.360 4.360 4.333 0.027 17775 2488 1 5 . 1 1 17 17 ASP C C 292 178.420 178.420 178.823 -0.403 17775 2489 1 5 . 1 1 17 17 ASP CA C 292 57.430 57.430 57.679 -0.249 17775 2490 1 5 . 1 1 17 17 ASP CB C 292 40.130 40.130 40.355 -0.225 17775 2491 1 5 . 1 1 17 17 ASP H H 292 8.290 8.290 7.989 0.301 17775 2492 1 5 . 1 1 18 18 LYS N N 293 119.100 119.100 119.879 -0.779 17775 2493 1 5 . 1 1 18 18 LYS HA H 293 4.010 4.010 4.010 -0.000 17775 2494 1 5 . 1 1 18 18 LYS C C 293 180.170 180.170 179.090 1.080 17775 2495 1 5 . 1 1 18 18 LYS CA C 293 59.020 59.020 59.541 -0.520 17775 2496 1 5 . 1 1 18 18 LYS CB C 293 32.270 32.270 32.468 -0.198 17775 2497 1 5 . 1 1 18 18 LYS H H 293 7.690 7.690 7.577 0.113 17775 2498 1 5 . 1 1 19 19 ILE N N 294 122.510 122.510 119.792 2.718 17775 2499 1 5 . 1 1 19 19 ILE HA H 294 3.690 3.690 4.052 -0.362 17775 2500 1 5 . 1 1 19 19 ILE C C 294 178.920 178.920 178.744 0.176 17775 2501 1 5 . 1 1 19 19 ILE CA C 294 64.400 64.400 64.780 -0.380 17775 2502 1 5 . 1 1 19 19 ILE CB C 294 38.320 38.320 37.884 0.436 17775 2503 1 5 . 1 1 19 19 ILE H H 294 8.220 8.220 7.747 0.473 17775 2504 1 5 . 1 1 20 20 ALA N N 295 123.270 123.270 122.325 0.945 17775 2505 1 5 . 1 1 20 20 ALA HA H 295 3.850 3.850 4.067 -0.217 17775 2506 1 5 . 1 1 20 20 ALA C C 295 179.390 179.390 178.980 0.410 17775 2507 1 5 . 1 1 20 20 ALA CA C 295 55.370 55.370 54.870 0.500 17775 2508 1 5 . 1 1 20 20 ALA CB C 295 17.880 17.880 18.351 -0.471 17775 2509 1 5 . 1 1 20 20 ALA H H 295 8.580 8.580 7.886 0.694 17775 2510 1 5 . 1 1 21 21 GLU N N 296 115.530 115.530 116.444 -0.914 17775 2511 1 5 . 1 1 21 21 GLU HA H 296 4.160 4.160 4.178 -0.018 17775 2512 1 5 . 1 1 21 21 GLU C C 296 176.560 176.560 177.652 -1.092 17775 2513 1 5 . 1 1 21 21 GLU CA C 296 56.400 56.400 56.388 0.012 17775 2514 1 5 . 1 1 21 21 GLU CB C 296 29.830 29.830 29.703 0.127 17775 2515 1 5 . 1 1 21 21 GLU H H 296 7.680 7.680 7.774 -0.094 17775 2516 1 5 . 1 1 22 22 GLY N N 297 105.910 105.910 107.792 -1.882 17775 2517 1 5 . 1 1 22 22 GLY C C 297 174.160 174.160 174.318 -0.158 17775 2518 1 5 . 1 1 22 22 GLY CA C 297 45.040 45.040 44.599 0.441 17775 2519 1 5 . 1 1 22 22 GLY H H 297 7.820 7.820 7.874 -0.054 17775 2520 1 5 . 1 1 23 23 ASN N N 298 120.260 120.260 121.162 -0.902 17775 2521 1 5 . 1 1 23 23 ASN HA H 298 4.960 4.960 4.992 -0.032 17775 2522 1 5 . 1 1 23 23 ASN C C 298 174.560 174.560 175.876 -1.316 17775 2523 1 5 . 1 1 23 23 ASN CA C 298 51.800 51.800 52.113 -0.313 17775 2524 1 5 . 1 1 23 23 ASN CB C 298 36.750 36.750 37.935 -1.185 17775 2525 1 5 . 1 1 23 23 ASN H H 298 8.070 8.070 8.096 -0.026 17775 2526 1 5 . 1 1 24 24 LEU N N 299 119.750 119.750 122.454 -2.704 17775 2527 1 5 . 1 1 24 24 LEU HA H 299 3.950 3.950 4.035 -0.085 17775 2528 1 5 . 1 1 24 24 LEU C C 299 176.390 176.390 178.207 -1.817 17775 2529 1 5 . 1 1 24 24 LEU CA C 299 56.250 56.250 57.593 -1.343 17775 2530 1 5 . 1 1 24 24 LEU CB C 299 41.260 41.260 41.831 -0.571 17775 2531 1 5 . 1 1 24 24 LEU H H 299 7.850 7.850 7.583 0.267 17775 2532 1 5 . 1 1 25 25 GLU N N 300 114.210 114.210 117.600 -3.390 17775 2533 1 5 . 1 1 25 25 GLU HA H 300 4.230 4.230 4.211 0.019 17775 2534 1 5 . 1 1 25 25 GLU C C 300 176.050 176.050 175.987 0.063 17775 2535 1 5 . 1 1 25 25 GLU CA C 300 55.640 55.640 56.200 -0.560 17775 2536 1 5 . 1 1 25 25 GLU CB C 300 29.410 29.410 29.306 0.104 17775 2537 1 5 . 1 1 25 25 GLU H H 300 7.840 7.840 8.396 -0.556 17775 2538 1 5 . 1 1 26 26 ALA N N 301 124.010 124.010 123.944 0.066 17775 2539 1 5 . 1 1 26 26 ALA HA H 301 3.880 3.880 4.148 -0.268 17775 2540 1 5 . 1 1 26 26 ALA C C 301 175.390 175.390 176.923 -1.533 17775 2541 1 5 . 1 1 26 26 ALA CA C 301 52.890 52.890 52.538 0.351 17775 2542 1 5 . 1 1 26 26 ALA CB C 301 18.570 18.570 19.153 -0.583 17775 2543 1 5 . 1 1 26 26 ALA H H 301 6.770 6.770 7.271 -0.501 17775 2544 1 5 . 1 1 27 27 GLU N N 302 120.120 120.120 122.761 -2.641 17775 2545 1 5 . 1 1 27 27 GLU HA H 302 4.080 4.080 4.174 -0.094 17775 2546 1 5 . 1 1 27 27 GLU C C 302 176.510 176.510 176.181 0.329 17775 2547 1 5 . 1 1 27 27 GLU CA C 302 55.150 55.150 56.118 -0.968 17775 2548 1 5 . 1 1 27 27 GLU CB C 302 30.160 30.160 30.343 -0.183 17775 2549 1 5 . 1 1 27 27 GLU H H 302 7.880 7.880 8.368 -0.488 17775 2550 1 5 . 1 1 28 28 VAL N N 303 129.020 129.020 125.829 3.191 17775 2551 1 5 . 1 1 28 28 VAL HA H 303 4.230 4.230 4.150 0.080 17775 2552 1 5 . 1 1 28 28 VAL CA C 303 60.440 60.440 60.537 -0.097 17775 2553 1 5 . 1 1 28 28 VAL CB C 303 31.760 31.760 31.686 0.074 17775 2554 1 5 . 1 1 28 28 VAL H H 303 8.890 8.890 8.173 0.717 17775 2555 1 5 . 1 1 29 29 PRO HA H 304 4.400 4.400 4.556 -0.156 17775 2556 1 5 . 1 1 29 29 PRO CA C 304 62.790 62.790 62.131 0.659 17775 2557 1 5 . 1 1 29 29 PRO CB C 304 32.120 32.120 32.680 -0.560 17775 2558 1 5 . 1 1 30 30 HIS N N 305 103.640 103.640 111.342 -7.702 17775 2559 1 5 . 1 1 30 30 HIS HA H 305 4.210 4.210 4.219 -0.009 17775 2560 1 5 . 1 1 30 30 HIS C C 305 175.590 175.590 176.567 -0.977 17775 2561 1 5 . 1 1 30 30 HIS CA C 305 57.950 57.950 57.526 0.424 17775 2562 1 5 . 1 1 30 30 HIS CB C 305 27.910 27.910 27.147 0.763 17775 2563 1 5 . 1 1 30 30 HIS H H 305 7.780 7.780 8.355 -0.575 17775 2564 1 5 . 1 1 31 31 GLN N N 306 114.840 114.840 118.293 -3.453 17775 2565 1 5 . 1 1 31 31 GLN HA H 306 3.990 3.990 4.034 -0.044 17775 2566 1 5 . 1 1 31 31 GLN C C 306 176.290 176.290 177.042 -0.752 17775 2567 1 5 . 1 1 31 31 GLN CA C 306 58.680 58.680 59.048 -0.368 17775 2568 1 5 . 1 1 31 31 GLN CB C 306 30.630 30.630 28.851 1.779 17775 2569 1 5 . 1 1 31 31 GLN H H 306 8.010 8.010 8.764 -0.754 17775 2570 1 5 . 1 1 32 32 ASN N N 307 113.230 113.230 113.430 -0.200 17775 2571 1 5 . 1 1 32 32 ASN HA H 307 4.640 4.640 4.603 0.037 17775 2572 1 5 . 1 1 32 32 ASN C C 307 175.610 175.610 175.753 -0.143 17775 2573 1 5 . 1 1 32 32 ASN CA C 307 52.800 52.800 53.287 -0.487 17775 2574 1 5 . 1 1 32 32 ASN CB C 307 37.630 37.630 37.716 -0.086 17775 2575 1 5 . 1 1 32 32 ASN H H 307 8.360 8.360 8.288 0.072 17775 2576 1 5 . 1 1 33 33 ARG N N 308 119.580 119.580 120.878 -1.298 17775 2577 1 5 . 1 1 33 33 ARG HA H 308 4.140 4.140 4.263 -0.123 17775 2578 1 5 . 1 1 33 33 ARG CA C 308 56.950 56.950 56.446 0.504 17775 2579 1 5 . 1 1 33 33 ARG CB C 308 33.030 33.030 30.914 2.116 17775 2580 1 5 . 1 1 33 33 ARG H H 308 7.160 7.160 7.478 -0.318 17775 2581 1 5 . 1 1 34 34 ALA HA H 309 4.530 4.530 4.273 0.257 17775 2582 1 5 . 1 1 34 34 ALA C C 309 176.610 176.610 177.082 -0.472 17775 2583 1 5 . 1 1 34 34 ALA CA C 309 51.650 51.650 52.731 -1.081 17775 2584 1 5 . 1 1 34 34 ALA CB C 309 18.830 18.830 19.146 -0.316 17775 2585 1 5 . 1 1 35 35 ASP N N 310 117.680 117.680 118.851 -1.171 17775 2586 1 5 . 1 1 35 35 ASP HA H 310 4.660 4.660 4.643 0.017 17775 2587 1 5 . 1 1 35 35 ASP C C 310 176.740 176.740 177.096 -0.356 17775 2588 1 5 . 1 1 35 35 ASP CA C 310 52.240 52.240 52.933 -0.693 17775 2589 1 5 . 1 1 35 35 ASP CB C 310 41.580 41.580 40.634 0.946 17775 2590 1 5 . 1 1 35 35 ASP H H 310 7.460 7.460 7.699 -0.239 17775 2591 1 5 . 1 1 36 36 GLU N N 311 118.110 118.110 117.323 0.787 17775 2592 1 5 . 1 1 36 36 GLU HA H 311 3.870 3.870 4.063 -0.193 17775 2593 1 5 . 1 1 36 36 GLU C C 311 177.440 177.440 178.446 -1.006 17775 2594 1 5 . 1 1 36 36 GLU CA C 311 60.460 60.460 59.779 0.681 17775 2595 1 5 . 1 1 36 36 GLU CB C 311 27.660 27.660 29.389 -1.729 17775 2596 1 5 . 1 1 36 36 GLU H H 311 9.910 9.910 8.645 1.265 17775 2597 1 5 . 1 1 37 37 ILE N N 312 118.790 118.790 119.453 -0.663 17775 2598 1 5 . 1 1 37 37 ILE HA H 312 3.570 3.570 3.871 -0.301 17775 2599 1 5 . 1 1 37 37 ILE C C 312 177.460 177.460 178.138 -0.678 17775 2600 1 5 . 1 1 37 37 ILE CA C 312 63.170 63.170 62.771 0.399 17775 2601 1 5 . 1 1 37 37 ILE CB C 312 35.770 35.770 36.633 -0.863 17775 2602 1 5 . 1 1 37 37 ILE H H 312 7.420 7.420 7.629 -0.209 17775 2603 1 5 . 1 1 38 38 GLY N N 313 108.320 108.320 109.294 -0.974 17775 2604 1 5 . 1 1 38 38 GLY C C 313 176.200 176.200 176.173 0.027 17775 2605 1 5 . 1 1 38 38 GLY CA C 313 47.090 47.090 47.383 -0.293 17775 2606 1 5 . 1 1 38 38 GLY H H 313 7.510 7.510 7.892 -0.382 17775 2607 1 5 . 1 1 39 39 ILE N N 314 121.890 121.890 122.458 -0.568 17775 2608 1 5 . 1 1 39 39 ILE HA H 314 3.630 3.630 3.696 -0.066 17775 2609 1 5 . 1 1 39 39 ILE C C 314 179.070 179.070 177.573 1.497 17775 2610 1 5 . 1 1 39 39 ILE CA C 314 64.750 64.750 65.002 -0.252 17775 2611 1 5 . 1 1 39 39 ILE CB C 314 37.610 37.610 37.980 -0.370 17775 2612 1 5 . 1 1 39 39 ILE H H 314 7.390 7.390 7.595 -0.205 17775 2613 1 5 . 1 1 40 40 LEU N N 315 121.370 121.370 121.556 -0.186 17775 2614 1 5 . 1 1 40 40 LEU HA H 315 4.120 4.120 4.075 0.045 17775 2615 1 5 . 1 1 40 40 LEU C C 315 178.560 178.560 178.215 0.345 17775 2616 1 5 . 1 1 40 40 LEU CA C 315 57.620 57.620 57.750 -0.130 17775 2617 1 5 . 1 1 40 40 LEU CB C 315 41.490 41.490 41.533 -0.043 17775 2618 1 5 . 1 1 40 40 LEU H H 315 7.770 7.770 7.805 -0.035 17775 2619 1 5 . 1 1 41 41 ALA N N 316 123.480 123.480 121.651 1.829 17775 2620 1 5 . 1 1 41 41 ALA HA H 316 3.840 3.840 3.935 -0.095 17775 2621 1 5 . 1 1 41 41 ALA C C 316 179.700 179.700 179.518 0.182 17775 2622 1 5 . 1 1 41 41 ALA CA C 316 56.180 56.180 55.498 0.682 17775 2623 1 5 . 1 1 41 41 ALA CB C 316 19.870 19.870 18.372 1.498 17775 2624 1 5 . 1 1 41 41 ALA H H 316 9.020 9.020 8.113 0.907 17775 2625 1 5 . 1 1 42 42 LYS N N 317 116.890 116.890 118.398 -1.508 17775 2626 1 5 . 1 1 42 42 LYS HA H 317 3.900 3.900 3.978 -0.078 17775 2627 1 5 . 1 1 42 42 LYS C C 317 179.730 179.730 179.167 0.563 17775 2628 1 5 . 1 1 42 42 LYS CA C 317 60.430 60.430 59.536 0.894 17775 2629 1 5 . 1 1 42 42 LYS H H 317 8.320 8.320 7.883 0.437 17775 2630 1 5 . 1 1 43 43 SER N N 318 119.130 119.130 115.774 3.356 17775 2631 1 5 . 1 1 43 43 SER HA H 318 4.340 4.340 4.199 0.141 17775 2632 1 5 . 1 1 43 43 SER C C 318 177.430 177.430 176.664 0.766 17775 2633 1 5 . 1 1 43 43 SER CA C 318 62.630 62.630 61.947 0.683 17775 2634 1 5 . 1 1 43 43 SER CB C 318 63.050 63.050 62.923 0.127 17775 2635 1 5 . 1 1 43 43 SER H H 318 8.060 8.060 7.958 0.102 17775 2636 1 5 . 1 1 44 44 ILE N N 319 124.020 124.020 123.030 0.990 17775 2637 1 5 . 1 1 44 44 ILE HA H 319 3.640 3.640 3.719 -0.079 17775 2638 1 5 . 1 1 44 44 ILE C C 319 177.190 177.190 177.825 -0.635 17775 2639 1 5 . 1 1 44 44 ILE CA C 319 65.020 65.020 65.060 -0.040 17775 2640 1 5 . 1 1 44 44 ILE CB C 319 36.790 36.790 37.578 -0.788 17775 2641 1 5 . 1 1 44 44 ILE H H 319 8.250 8.250 7.713 0.537 17775 2642 1 5 . 1 1 45 45 GLU N N 320 123.090 123.090 120.951 2.139 17775 2643 1 5 . 1 1 45 45 GLU HA H 320 4.600 4.600 3.954 0.646 17775 2644 1 5 . 1 1 45 45 GLU C C 320 178.190 178.190 178.642 -0.452 17775 2645 1 5 . 1 1 45 45 GLU CA C 320 58.430 58.430 59.504 -1.074 17775 2646 1 5 . 1 1 45 45 GLU CB C 320 27.700 27.700 29.219 -1.519 17775 2647 1 5 . 1 1 45 45 GLU H H 320 8.390 8.390 8.075 0.315 17775 2648 1 5 . 1 1 46 46 ARG N N 321 119.760 119.760 119.186 0.574 17775 2649 1 5 . 1 1 46 46 ARG HA H 321 3.930 3.930 4.049 -0.119 17775 2650 1 5 . 1 1 46 46 ARG C C 321 179.950 179.950 179.052 0.898 17775 2651 1 5 . 1 1 46 46 ARG CA C 321 60.440 60.440 59.374 1.066 17775 2652 1 5 . 1 1 46 46 ARG CB C 321 29.770 29.770 30.139 -0.369 17775 2653 1 5 . 1 1 46 46 ARG H H 321 8.000 8.000 7.843 0.157 17775 2654 1 5 . 1 1 47 47 LEU N N 322 121.360 121.360 119.750 1.610 17775 2655 1 5 . 1 1 47 47 LEU HA H 322 4.020 4.020 3.962 0.058 17775 2656 1 5 . 1 1 47 47 LEU C C 322 178.040 178.040 178.725 -0.685 17775 2657 1 5 . 1 1 47 47 LEU CA C 322 58.550 58.550 57.905 0.645 17775 2658 1 5 . 1 1 47 47 LEU CB C 322 41.650 41.650 41.460 0.190 17775 2659 1 5 . 1 1 47 47 LEU H H 322 7.870 7.870 7.853 0.017 17775 2660 1 5 . 1 1 48 48 ARG N N 323 121.390 121.390 119.250 2.140 17775 2661 1 5 . 1 1 48 48 ARG HA H 323 3.690 3.690 3.920 -0.230 17775 2662 1 5 . 1 1 48 48 ARG C C 323 178.120 178.120 178.345 -0.225 17775 2663 1 5 . 1 1 48 48 ARG CA C 323 60.630 60.630 59.733 0.896 17775 2664 1 5 . 1 1 48 48 ARG CB C 323 30.230 30.230 29.952 0.278 17775 2665 1 5 . 1 1 48 48 ARG H H 323 8.730 8.730 7.876 0.854 17775 2666 1 5 . 1 1 49 49 ARG N N 324 116.720 116.720 118.832 -2.112 17775 2667 1 5 . 1 1 49 49 ARG HA H 324 3.840 3.840 4.002 -0.162 17775 2668 1 5 . 1 1 49 49 ARG C C 324 179.060 179.060 178.364 0.696 17775 2669 1 5 . 1 1 49 49 ARG CA C 324 59.930 59.930 59.927 0.003 17775 2670 1 5 . 1 1 49 49 ARG CB C 324 29.830 29.830 30.171 -0.341 17775 2671 1 5 . 1 1 49 49 ARG H H 324 8.550 8.550 8.106 0.444 17775 2672 1 5 . 1 1 50 50 SER N N 325 117.600 117.600 116.421 1.179 17775 2673 1 5 . 1 1 50 50 SER HA H 325 4.120 4.120 4.170 -0.050 17775 2674 1 5 . 1 1 50 50 SER C C 325 176.050 176.050 176.763 -0.713 17775 2675 1 5 . 1 1 50 50 SER CA C 325 62.630 62.630 62.316 0.314 17775 2676 1 5 . 1 1 50 50 SER CB C 325 62.950 62.950 62.991 -0.041 17775 2677 1 5 . 1 1 50 50 SER H H 325 8.170 8.170 7.849 0.321 17775 2678 1 5 . 1 1 51 51 LEU N N 326 123.730 123.730 121.950 1.780 17775 2679 1 5 . 1 1 51 51 LEU HA H 326 3.990 3.990 3.926 0.064 17775 2680 1 5 . 1 1 51 51 LEU C C 326 177.380 177.380 178.296 -0.916 17775 2681 1 5 . 1 1 51 51 LEU CA C 326 58.580 58.580 58.057 0.523 17775 2682 1 5 . 1 1 51 51 LEU CB C 326 42.190 42.190 41.707 0.483 17775 2683 1 5 . 1 1 51 51 LEU H H 326 8.190 8.190 7.839 0.351 17775 2684 1 5 . 1 1 52 52 LYS N N 327 119.170 119.170 119.397 -0.227 17775 2685 1 5 . 1 1 52 52 LYS HA H 327 3.860 3.860 3.849 0.011 17775 2686 1 5 . 1 1 52 52 LYS C C 327 179.050 179.050 178.782 0.268 17775 2687 1 5 . 1 1 52 52 LYS CA C 327 59.700 59.700 59.851 -0.151 17775 2688 1 5 . 1 1 52 52 LYS CB C 327 32.020 32.020 32.250 -0.230 17775 2689 1 5 . 1 1 52 52 LYS H H 327 8.580 8.580 7.976 0.604 17775 2690 1 5 . 1 1 53 53 GLN N N 328 118.180 118.180 119.423 -1.243 17775 2691 1 5 . 1 1 53 53 GLN HA H 328 4.080 4.080 4.037 0.043 17775 2692 1 5 . 1 1 53 53 GLN C C 328 177.960 177.960 178.416 -0.456 17775 2693 1 5 . 1 1 53 53 GLN CA C 328 58.690 58.690 59.104 -0.414 17775 2694 1 5 . 1 1 53 53 GLN CB C 328 28.450 28.450 28.697 -0.247 17775 2695 1 5 . 1 1 53 53 GLN H H 328 8.080 8.080 7.911 0.169 17775 2696 1 5 . 1 1 54 54 LEU N N 329 118.740 118.740 119.980 -1.240 17775 2697 1 5 . 1 1 54 54 LEU HA H 329 4.150 4.150 3.933 0.217 17775 2698 1 5 . 1 1 54 54 LEU C C 329 179.580 179.580 178.715 0.865 17775 2699 1 5 . 1 1 54 54 LEU CA C 329 58.080 58.080 57.874 0.206 17775 2700 1 5 . 1 1 54 54 LEU CB C 329 42.620 42.620 41.758 0.862 17775 2701 1 5 . 1 1 54 54 LEU H H 329 7.680 7.680 8.012 -0.332 17775 2702 1 5 . 1 1 55 55 ALA N N 330 123.330 123.330 121.882 1.448 17775 2703 1 5 . 1 1 55 55 ALA HA H 330 4.050 4.050 3.911 0.139 17775 2704 1 5 . 1 1 55 55 ALA C C 330 180.530 180.530 179.487 1.043 17775 2705 1 5 . 1 1 55 55 ALA CA C 330 55.630 55.630 55.418 0.212 17775 2706 1 5 . 1 1 55 55 ALA CB C 330 18.320 18.320 18.003 0.317 17775 2707 1 5 . 1 1 55 55 ALA H H 330 8.390 8.390 7.970 0.420 17775 2708 1 5 . 1 1 56 56 ASP N N 331 121.350 121.350 119.411 1.939 17775 2709 1 5 . 1 1 56 56 ASP HA H 331 4.420 4.420 4.378 0.042 17775 2710 1 5 . 1 1 56 56 ASP C C 331 179.100 179.100 178.537 0.563 17775 2711 1 5 . 1 1 56 56 ASP CA C 331 57.430 57.430 57.501 -0.071 17775 2712 1 5 . 1 1 56 56 ASP CB C 331 39.630 39.630 40.368 -0.738 17775 2713 1 5 . 1 1 56 56 ASP H H 331 8.820 8.820 8.054 0.766 17775 2714 1 5 . 1 1 57 57 ASP N N 332 121.570 121.570 120.171 1.399 17775 2715 1 5 . 1 1 57 57 ASP HA H 332 4.490 4.490 4.370 0.120 17775 2716 1 5 . 1 1 57 57 ASP C C 332 179.080 179.080 178.499 0.581 17775 2717 1 5 . 1 1 57 57 ASP CA C 332 57.380 57.380 57.401 -0.021 17775 2718 1 5 . 1 1 57 57 ASP CB C 332 40.440 40.440 40.646 -0.206 17775 2719 1 5 . 1 1 57 57 ASP H H 332 8.420 8.420 8.245 0.175 17775 2720 1 5 . 1 1 58 58 ARG N N 333 120.250 120.250 119.702 0.548 17775 2721 1 5 . 1 1 58 58 ARG HA H 333 3.940 3.940 3.973 -0.033 17775 2722 1 5 . 1 1 58 58 ARG C C 333 177.770 177.770 178.625 -0.855 17775 2723 1 5 . 1 1 58 58 ARG CA C 333 58.790 58.790 59.646 -0.856 17775 2724 1 5 . 1 1 58 58 ARG CB C 333 30.300 30.300 30.401 -0.101 17775 2725 1 5 . 1 1 58 58 ARG H H 333 7.900 7.900 7.812 0.088 17775 2726 1 5 . 1 1 59 59 THR N N 334 115.160 115.160 114.211 0.949 17775 2727 1 5 . 1 1 59 59 THR HA H 334 3.960 3.960 4.112 -0.152 17775 2728 1 5 . 1 1 59 59 THR C C 334 176.690 176.690 176.738 -0.048 17775 2729 1 5 . 1 1 59 59 THR CA C 334 66.430 66.430 66.108 0.322 17775 2730 1 5 . 1 1 59 59 THR CB C 334 68.720 68.720 68.368 0.352 17775 2731 1 5 . 1 1 59 59 THR H H 334 7.940 7.940 7.687 0.253 17775 2732 1 5 . 1 1 60 60 LEU N N 335 123.040 123.040 122.312 0.728 17775 2733 1 5 . 1 1 60 60 LEU HA H 335 4.070 4.070 3.980 0.090 17775 2734 1 5 . 1 1 60 60 LEU C C 335 180.040 180.040 179.121 0.919 17775 2735 1 5 . 1 1 60 60 LEU CA C 335 57.690 57.690 57.464 0.226 17775 2736 1 5 . 1 1 60 60 LEU CB C 335 41.810 41.810 41.424 0.386 17775 2737 1 5 . 1 1 60 60 LEU H H 335 7.860 7.860 7.817 0.043 17775 2738 1 5 . 1 1 61 61 LEU N N 336 121.600 121.600 120.592 1.008 17775 2739 1 5 . 1 1 61 61 LEU HA H 336 4.020 4.020 3.881 0.139 17775 2740 1 5 . 1 1 61 61 LEU C C 336 179.360 179.360 178.398 0.962 17775 2741 1 5 . 1 1 61 61 LEU CA C 336 57.900 57.900 58.287 -0.387 17775 2742 1 5 . 1 1 61 61 LEU CB C 336 41.970 41.970 41.850 0.120 17775 2743 1 5 . 1 1 61 61 LEU H H 336 8.180 8.180 8.109 0.071 17775 2744 1 5 . 1 1 62 62 MET N N 337 116.900 116.900 118.393 -1.493 17775 2745 1 5 . 1 1 62 62 MET HA H 337 4.110 4.110 3.877 0.233 17775 2746 1 5 . 1 1 62 62 MET C C 337 179.750 179.750 177.962 1.788 17775 2747 1 5 . 1 1 62 62 MET CA C 337 57.850 57.850 59.011 -1.161 17775 2748 1 5 . 1 1 62 62 MET CB C 337 32.200 32.200 32.433 -0.233 17775 2749 1 5 . 1 1 62 62 MET H H 337 8.160 8.160 7.656 0.504 17775 2750 1 5 . 1 1 63 63 ALA N N 338 122.990 122.990 120.410 2.580 17775 2751 1 5 . 1 1 63 63 ALA HA H 338 4.110 4.110 4.006 0.104 17775 2752 1 5 . 1 1 63 63 ALA C C 338 180.420 180.420 179.525 0.895 17775 2753 1 5 . 1 1 63 63 ALA CA C 338 55.270 55.270 55.265 0.005 17775 2754 1 5 . 1 1 63 63 ALA CB C 338 17.960 17.960 18.006 -0.046 17775 2755 1 5 . 1 1 63 63 ALA H H 338 8.090 8.090 7.828 0.262 17775 2756 1 5 . 1 1 64 64 GLY N N 339 106.980 106.980 106.847 0.133 17775 2757 1 5 . 1 1 64 64 GLY C C 339 175.240 175.240 176.168 -0.928 17775 2758 1 5 . 1 1 64 64 GLY CA C 339 47.190 47.190 47.228 -0.038 17775 2759 1 5 . 1 1 64 64 GLY H H 339 8.070 8.070 7.977 0.093 17775 2760 1 5 . 1 1 65 65 VAL N N 340 120.660 120.660 121.717 -1.057 17775 2761 1 5 . 1 1 65 65 VAL HA H 340 3.780 3.780 3.642 0.138 17775 2762 1 5 . 1 1 65 65 VAL C C 340 176.960 176.960 177.927 -0.967 17775 2763 1 5 . 1 1 65 65 VAL CA C 340 65.620 65.620 65.995 -0.375 17775 2764 1 5 . 1 1 65 65 VAL CB C 340 31.690 31.690 31.311 0.379 17775 2765 1 5 . 1 1 65 65 VAL H H 340 8.100 8.100 7.654 0.446 17775 2766 1 5 . 1 1 66 66 SER N N 341 112.150 112.150 114.947 -2.797 17775 2767 1 5 . 1 1 66 66 SER HA H 341 4.000 4.000 4.013 -0.013 17775 2768 1 5 . 1 1 66 66 SER C C 341 175.860 175.860 176.626 -0.766 17775 2769 1 5 . 1 1 66 66 SER CA C 341 61.240 61.240 61.816 -0.576 17775 2770 1 5 . 1 1 66 66 SER CB C 341 63.260 63.260 63.161 0.099 17775 2771 1 5 . 1 1 66 66 SER H H 341 7.810 7.810 7.791 0.019 17775 2772 1 5 . 1 1 67 67 HIS N N 342 118.910 118.910 120.521 -1.611 17775 2773 1 5 . 1 1 67 67 HIS HA H 342 4.440 4.440 4.226 0.214 17775 2774 1 5 . 1 1 67 67 HIS C C 342 177.780 177.780 178.197 -0.417 17775 2775 1 5 . 1 1 67 67 HIS CA C 342 59.160 59.160 59.984 -0.824 17775 2776 1 5 . 1 1 67 67 HIS CB C 342 30.400 30.400 29.886 0.514 17775 2777 1 5 . 1 1 67 67 HIS H H 342 7.830 7.830 7.871 -0.041 17775 2778 1 5 . 1 1 68 68 ASP N N 343 120.590 120.590 120.078 0.512 17775 2779 1 5 . 1 1 68 68 ASP HA H 343 4.440 4.440 4.393 0.047 17775 2780 1 5 . 1 1 68 68 ASP C C 343 178.470 178.470 178.813 -0.343 17775 2781 1 5 . 1 1 68 68 ASP CA C 343 57.500 57.500 57.270 0.230 17775 2782 1 5 . 1 1 68 68 ASP CB C 343 39.880 39.880 40.538 -0.658 17775 2783 1 5 . 1 1 68 68 ASP H H 343 8.580 8.580 7.897 0.683 17775 2784 1 5 . 1 1 69 69 LEU N N 344 117.900 117.900 120.044 -2.144 17775 2785 1 5 . 1 1 69 69 LEU HA H 344 4.190 4.190 3.988 0.202 17775 2786 1 5 . 1 1 69 69 LEU C C 344 177.010 177.010 178.289 -1.279 17775 2787 1 5 . 1 1 69 69 LEU CA C 344 56.810 56.810 57.281 -0.471 17775 2788 1 5 . 1 1 69 69 LEU CB C 344 43.300 43.300 41.642 1.658 17775 2789 1 5 . 1 1 69 69 LEU H H 344 8.300 8.300 7.920 0.380 17775 2790 1 5 . 1 1 70 70 ARG N N 345 114.380 114.380 118.971 -4.591 17775 2791 1 5 . 1 1 70 70 ARG HA H 345 3.930 3.930 3.915 0.015 17775 2792 1 5 . 1 1 70 70 ARG C C 345 178.840 178.840 178.111 0.729 17775 2793 1 5 . 1 1 70 70 ARG CA C 345 59.420 59.420 59.756 -0.336 17775 2794 1 5 . 1 1 70 70 ARG CB C 345 30.210 30.210 29.961 0.249 17775 2795 1 5 . 1 1 70 70 ARG H H 345 7.280 7.280 7.786 -0.506 17775 2796 1 5 . 1 1 71 71 THR N N 346 115.370 115.370 115.006 0.364 17775 2797 1 5 . 1 1 71 71 THR HA H 346 4.060 4.060 4.133 -0.073 17775 2798 1 5 . 1 1 71 71 THR CA C 346 68.800 68.800 68.416 0.384 17775 2799 1 5 . 1 1 71 71 THR CB C 346 66.590 66.590 66.933 -0.343 17775 2800 1 5 . 1 1 71 71 THR H H 346 7.540 7.540 7.616 -0.076 17775 2801 1 5 . 1 1 72 72 PRO HA H 347 4.090 4.090 4.254 -0.164 17775 2802 1 5 . 1 1 72 72 PRO CA C 347 65.860 65.860 65.791 0.069 17775 2803 1 5 . 1 1 72 72 PRO CB C 347 31.380 31.380 31.314 0.066 17775 2804 1 5 . 1 1 73 73 LEU N N 348 114.830 114.830 118.823 -3.993 17775 2805 1 5 . 1 1 73 73 LEU HA H 348 3.950 3.950 3.922 0.028 17775 2806 1 5 . 1 1 73 73 LEU C C 348 179.120 179.120 179.248 -0.128 17775 2807 1 5 . 1 1 73 73 LEU CA C 348 58.450 58.450 58.149 0.301 17775 2808 1 5 . 1 1 73 73 LEU CB C 348 41.320 41.320 41.560 -0.240 17775 2809 1 5 . 1 1 73 73 LEU H H 348 6.970 6.970 7.749 -0.779 17775 2810 1 5 . 1 1 74 74 THR N N 349 116.230 116.230 115.145 1.085 17775 2811 1 5 . 1 1 74 74 THR HA H 349 3.880 3.880 3.879 0.001 17775 2812 1 5 . 1 1 74 74 THR C C 349 176.100 176.100 176.887 -0.787 17775 2813 1 5 . 1 1 74 74 THR CA C 349 66.760 66.760 66.801 -0.041 17775 2814 1 5 . 1 1 74 74 THR CB C 349 68.770 68.770 68.417 0.353 17775 2815 1 5 . 1 1 74 74 THR H H 349 8.090 8.090 7.900 0.190 17775 2816 1 5 . 1 1 75 75 ARG N N 350 121.190 121.190 121.409 -0.219 17775 2817 1 5 . 1 1 75 75 ARG HA H 350 3.970 3.970 4.020 -0.050 17775 2818 1 5 . 1 1 75 75 ARG C C 350 180.130 180.130 178.800 1.330 17775 2819 1 5 . 1 1 75 75 ARG CA C 350 61.030 61.030 59.589 1.441 17775 2820 1 5 . 1 1 75 75 ARG CB C 350 31.080 31.080 30.032 1.048 17775 2821 1 5 . 1 1 75 75 ARG H H 350 7.570 7.570 7.566 0.004 17775 2822 1 5 . 1 1 76 76 ILE N N 351 122.150 122.150 120.078 2.072 17775 2823 1 5 . 1 1 76 76 ILE HA H 351 3.700 3.700 3.644 0.056 17775 2824 1 5 . 1 1 76 76 ILE C C 351 177.070 177.070 177.780 -0.710 17775 2825 1 5 . 1 1 76 76 ILE CA C 351 65.560 65.560 65.305 0.255 17775 2826 1 5 . 1 1 76 76 ILE CB C 351 37.650 37.650 37.494 0.156 17775 2827 1 5 . 1 1 76 76 ILE H H 351 8.060 8.060 7.919 0.141 17775 2828 1 5 . 1 1 77 77 ARG N N 352 120.120 120.120 120.530 -0.410 17775 2829 1 5 . 1 1 77 77 ARG HA H 352 3.930 3.930 4.035 -0.105 17775 2830 1 5 . 1 1 77 77 ARG C C 352 179.580 179.580 179.059 0.521 17775 2831 1 5 . 1 1 77 77 ARG CA C 352 59.340 59.340 59.554 -0.214 17775 2832 1 5 . 1 1 77 77 ARG CB C 352 29.690 29.690 30.293 -0.603 17775 2833 1 5 . 1 1 77 77 ARG H H 352 7.700 7.700 7.727 -0.027 17775 2834 1 5 . 1 1 78 78 LEU N N 353 119.970 119.970 119.137 0.833 17775 2835 1 5 . 1 1 78 78 LEU HA H 353 4.000 4.000 4.004 -0.004 17775 2836 1 5 . 1 1 78 78 LEU C C 353 179.600 179.600 178.677 0.923 17775 2837 1 5 . 1 1 78 78 LEU CA C 353 57.910 57.910 57.659 0.251 17775 2838 1 5 . 1 1 78 78 LEU CB C 353 41.430 41.430 41.882 -0.452 17775 2839 1 5 . 1 1 78 78 LEU H H 353 8.260 8.260 7.827 0.433 17775 2840 1 5 . 1 1 79 79 ALA N N 354 122.390 122.390 120.932 1.458 17775 2841 1 5 . 1 1 79 79 ALA HA H 354 4.070 4.070 3.987 0.083 17775 2842 1 5 . 1 1 79 79 ALA C C 354 180.620 180.620 179.390 1.230 17775 2843 1 5 . 1 1 79 79 ALA CA C 354 55.270 55.270 55.180 0.090 17775 2844 1 5 . 1 1 79 79 ALA CB C 354 18.030 18.030 18.495 -0.465 17775 2845 1 5 . 1 1 79 79 ALA H H 354 7.850 7.850 7.946 -0.096 17775 2846 1 5 . 1 1 80 80 THR N N 355 107.540 107.540 110.061 -2.521 17775 2847 1 5 . 1 1 80 80 THR HA H 355 3.990 3.990 4.070 -0.080 17775 2848 1 5 . 1 1 80 80 THR C C 355 177.250 177.250 175.589 1.661 17775 2849 1 5 . 1 1 80 80 THR CA C 355 64.970 64.970 64.675 0.295 17775 2850 1 5 . 1 1 80 80 THR CB C 355 69.020 69.020 68.540 0.480 17775 2851 1 5 . 1 1 80 80 THR H H 355 7.930 7.930 8.088 -0.158 17775 2852 1 5 . 1 1 81 81 GLU N N 356 120.380 120.380 119.431 0.949 17775 2853 1 5 . 1 1 81 81 GLU HA H 356 4.090 4.090 4.243 -0.153 17775 2854 1 5 . 1 1 81 81 GLU C C 356 177.280 177.280 177.751 -0.471 17775 2855 1 5 . 1 1 81 81 GLU CA C 356 58.020 58.020 58.155 -0.135 17775 2856 1 5 . 1 1 81 81 GLU CB C 356 29.490 29.490 29.454 0.036 17775 2857 1 5 . 1 1 81 81 GLU H H 356 7.380 7.380 7.431 -0.051 17775 2858 1 5 . 1 1 82 82 MET N N 357 115.510 115.510 116.776 -1.266 17775 2859 1 5 . 1 1 82 82 MET HA H 357 4.480 4.480 4.320 0.160 17775 2860 1 5 . 1 1 82 82 MET C C 357 176.140 176.140 176.903 -0.763 17775 2861 1 5 . 1 1 82 82 MET CA C 357 54.810 54.810 56.267 -1.457 17775 2862 1 5 . 1 1 82 82 MET CB C 357 32.660 32.660 33.449 -0.789 17775 2863 1 5 . 1 1 82 82 MET H H 357 7.480 7.480 7.328 0.152 17775 2864 1 5 . 1 1 83 83 MET N N 358 119.530 119.530 117.759 1.771 17775 2865 1 5 . 1 1 83 83 MET HA H 358 4.020 4.020 4.298 -0.278 17775 2866 1 5 . 1 1 83 83 MET C C 358 175.670 175.670 176.019 -0.349 17775 2867 1 5 . 1 1 83 83 MET CA C 358 57.430 57.430 55.871 1.559 17775 2868 1 5 . 1 1 83 83 MET CB C 358 33.860 33.860 33.376 0.484 17775 2869 1 5 . 1 1 83 83 MET H H 358 7.010 7.010 7.449 -0.439 17775 2870 1 5 . 1 1 84 84 SER N N 359 119.110 119.110 117.714 1.396 17775 2871 1 5 . 1 1 84 84 SER HA H 359 4.300 4.300 4.546 -0.246 17775 2872 1 5 . 1 1 84 84 SER C C 359 176.160 176.160 175.517 0.643 17775 2873 1 5 . 1 1 84 84 SER CA C 359 59.170 59.170 57.520 1.650 17775 2874 1 5 . 1 1 84 84 SER CB C 359 64.540 64.540 64.477 0.063 17775 2875 1 5 . 1 1 84 84 SER H H 359 9.630 9.630 8.143 1.487 17775 2876 1 5 . 1 1 85 85 GLU N N 360 124.090 124.090 120.974 3.116 17775 2877 1 5 . 1 1 85 85 GLU CA C 360 58.880 58.880 58.707 0.173 17775 2878 1 5 . 1 1 85 85 GLU CB C 360 29.560 29.560 28.976 0.584 17775 2879 1 5 . 1 1 85 85 GLU H H 360 8.810 8.810 8.903 -0.093 17775 2880 1 5 . 1 1 86 86 GLN HA H 361 4.220 4.220 4.199 0.021 17775 2881 1 5 . 1 1 86 86 GLN C C 361 176.370 176.370 177.056 -0.686 17775 2882 1 5 . 1 1 86 86 GLN CA C 361 58.440 58.440 58.071 0.369 17775 2883 1 5 . 1 1 86 86 GLN CB C 361 28.290 28.290 28.714 -0.424 17775 2884 1 5 . 1 1 87 87 ASP N N 362 118.700 118.700 117.849 0.851 17775 2885 1 5 . 1 1 87 87 ASP HA H 362 5.070 5.070 4.518 0.552 17775 2886 1 5 . 1 1 87 87 ASP C C 362 176.740 176.740 176.374 0.366 17775 2887 1 5 . 1 1 87 87 ASP CA C 362 53.710 53.710 53.062 0.648 17775 2888 1 5 . 1 1 87 87 ASP CB C 362 40.980 40.980 40.768 0.212 17775 2889 1 5 . 1 1 87 87 ASP H H 362 7.640 7.640 7.577 0.063 17775 2890 1 5 . 1 1 88 88 GLY N N 363 110.410 110.410 109.039 1.371 17775 2891 1 5 . 1 1 88 88 GLY CA C 363 47.890 47.890 47.319 0.571 17775 2892 1 5 . 1 1 88 88 GLY H H 363 7.940 7.940 8.033 -0.093 17775 2893 1 5 . 1 1 89 89 TYR HA H 364 4.430 4.430 4.198 0.232 17775 2894 1 5 . 1 1 89 89 TYR C C 364 177.600 177.600 177.710 -0.110 17775 2895 1 5 . 1 1 89 89 TYR CA C 364 59.970 59.970 59.906 0.064 17775 2896 1 5 . 1 1 89 89 TYR CB C 364 37.100 37.100 37.172 -0.072 17775 2897 1 5 . 1 1 89 89 TYR H H 364 8.470 8.470 8.130 0.340 17775 2898 1 5 . 1 1 90 90 LEU N N 365 124.000 124.000 119.686 4.314 17775 2899 1 5 . 1 1 90 90 LEU HA H 365 3.920 3.920 3.949 -0.029 17775 2900 1 5 . 1 1 90 90 LEU C C 365 178.180 178.180 178.671 -0.491 17775 2901 1 5 . 1 1 90 90 LEU CA C 365 57.050 57.050 56.673 0.377 17775 2902 1 5 . 1 1 90 90 LEU CB C 365 41.930 41.930 40.973 0.957 17775 2903 1 5 . 1 1 90 90 LEU H H 365 7.080 7.080 7.083 -0.003 17775 2904 1 5 . 1 1 91 91 ALA N N 366 123.150 123.150 122.205 0.945 17775 2905 1 5 . 1 1 91 91 ALA HA H 366 3.790 3.790 3.968 -0.178 17775 2906 1 5 . 1 1 91 91 ALA C C 366 179.610 179.610 179.610 0.000 17775 2907 1 5 . 1 1 91 91 ALA CA C 366 55.910 55.910 54.754 1.156 17775 2908 1 5 . 1 1 91 91 ALA CB C 366 18.450 18.450 18.256 0.194 17775 2909 1 5 . 1 1 91 91 ALA H H 366 7.880 7.880 7.470 0.410 17775 2910 1 5 . 1 1 92 92 GLU N N 367 116.750 116.750 118.126 -1.376 17775 2911 1 5 . 1 1 92 92 GLU HA H 367 4.010 4.010 3.886 0.124 17775 2912 1 5 . 1 1 92 92 GLU C C 367 177.910 177.910 178.867 -0.957 17775 2913 1 5 . 1 1 92 92 GLU CA C 367 59.420 59.420 59.621 -0.201 17775 2914 1 5 . 1 1 92 92 GLU CB C 367 29.620 29.620 29.418 0.202 17775 2915 1 5 . 1 1 92 92 GLU H H 367 8.100 8.100 8.383 -0.283 17775 2916 1 5 . 1 1 93 93 SER N N 368 115.480 115.480 115.228 0.252 17775 2917 1 5 . 1 1 93 93 SER HA H 368 4.060 4.060 4.210 -0.150 17775 2918 1 5 . 1 1 93 93 SER C C 368 176.360 176.360 176.473 -0.113 17775 2919 1 5 . 1 1 93 93 SER CA C 368 61.610 61.610 61.353 0.257 17775 2920 1 5 . 1 1 93 93 SER CB C 368 63.080 63.080 62.811 0.269 17775 2921 1 5 . 1 1 93 93 SER H H 368 7.520 7.520 7.402 0.118 17775 2922 1 5 . 1 1 94 94 ILE N N 369 121.710 121.710 121.705 0.005 17775 2923 1 5 . 1 1 94 94 ILE HA H 369 4.000 4.000 3.962 0.038 17775 2924 1 5 . 1 1 94 94 ILE C C 369 178.000 178.000 177.969 0.031 17775 2925 1 5 . 1 1 94 94 ILE CA C 369 65.470 65.470 64.874 0.596 17775 2926 1 5 . 1 1 94 94 ILE CB C 369 38.030 38.030 37.562 0.468 17775 2927 1 5 . 1 1 94 94 ILE H H 369 8.400 8.400 7.483 0.917 17775 2928 1 5 . 1 1 95 95 ASN N N 370 117.810 117.810 119.124 -1.314 17775 2929 1 5 . 1 1 95 95 ASN HA H 370 4.290 4.290 4.420 -0.130 17775 2930 1 5 . 1 1 95 95 ASN C C 370 179.730 179.730 177.736 1.994 17775 2931 1 5 . 1 1 95 95 ASN CA C 370 57.340 57.340 56.412 0.928 17775 2932 1 5 . 1 1 95 95 ASN CB C 370 38.280 38.280 38.081 0.199 17775 2933 1 5 . 1 1 95 95 ASN H H 370 8.270 8.270 8.266 0.004 17775 2934 1 5 . 1 1 96 96 LYS N N 371 121.220 121.220 120.465 0.755 17775 2935 1 5 . 1 1 96 96 LYS HA H 371 4.090 4.090 3.988 0.102 17775 2936 1 5 . 1 1 96 96 LYS C C 371 179.250 179.250 178.882 0.368 17775 2937 1 5 . 1 1 96 96 LYS CA C 371 59.650 59.650 59.843 -0.193 17775 2938 1 5 . 1 1 96 96 LYS CB C 371 31.730 31.730 32.306 -0.576 17775 2939 1 5 . 1 1 96 96 LYS H H 371 7.960 7.960 7.967 -0.007 17775 2940 1 5 . 1 1 97 97 ASP N N 372 122.870 122.870 119.982 2.888 17775 2941 1 5 . 1 1 97 97 ASP HA H 372 4.060 4.060 4.443 -0.383 17775 2942 1 5 . 1 1 97 97 ASP C C 372 179.300 179.300 178.833 0.467 17775 2943 1 5 . 1 1 97 97 ASP CA C 372 58.400 58.400 57.362 1.038 17775 2944 1 5 . 1 1 97 97 ASP CB C 372 41.130 41.130 40.667 0.463 17775 2945 1 5 . 1 1 97 97 ASP H H 372 7.920 7.920 7.738 0.182 17775 2946 1 5 . 1 1 98 98 ILE N N 373 123.090 123.090 116.593 6.497 17775 2947 1 5 . 1 1 98 98 ILE HA H 373 3.620 3.620 3.737 -0.117 17775 2948 1 5 . 1 1 98 98 ILE C C 373 178.330 178.330 177.804 0.526 17775 2949 1 5 . 1 1 98 98 ILE CA C 373 65.080 65.080 64.912 0.168 17775 2950 1 5 . 1 1 98 98 ILE CB C 373 37.260 37.260 37.365 -0.105 17775 2951 1 5 . 1 1 98 98 ILE H H 373 8.720 8.720 7.674 1.046 17775 2952 1 5 . 1 1 99 99 GLU N N 374 120.550 120.550 120.736 -0.186 17775 2953 1 5 . 1 1 99 99 GLU HA H 374 4.120 4.120 3.907 0.213 17775 2954 1 5 . 1 1 99 99 GLU C C 374 179.740 179.740 178.901 0.839 17775 2955 1 5 . 1 1 99 99 GLU CA C 374 59.570 59.570 59.803 -0.233 17775 2956 1 5 . 1 1 99 99 GLU CB C 374 28.910 28.910 29.166 -0.256 17775 2957 1 5 . 1 1 99 99 GLU H H 374 8.100 8.100 8.107 -0.007 17775 2958 1 5 . 1 1 100 100 GLU N N 375 122.040 122.040 120.121 1.919 17775 2959 1 5 . 1 1 100 100 GLU HA H 375 4.140 4.140 4.062 0.078 17775 2960 1 5 . 1 1 100 100 GLU C C 375 178.810 178.810 178.873 -0.063 17775 2961 1 5 . 1 1 100 100 GLU CA C 375 59.830 59.830 59.253 0.577 17775 2962 1 5 . 1 1 100 100 GLU CB C 375 29.220 29.220 29.675 -0.456 17775 2963 1 5 . 1 1 100 100 GLU H H 375 8.060 8.060 7.862 0.198 17775 2964 1 5 . 1 1 101 101 CYS N N 376 117.330 117.330 117.668 -0.338 17775 2965 1 5 . 1 1 101 101 CYS HA H 376 3.960 3.960 4.020 -0.060 17775 2966 1 5 . 1 1 101 101 CYS C C 376 176.540 176.540 176.705 -0.165 17775 2967 1 5 . 1 1 101 101 CYS CA C 376 64.510 64.510 64.232 0.278 17775 2968 1 5 . 1 1 101 101 CYS CB C 376 27.270 27.270 27.498 -0.228 17775 2969 1 5 . 1 1 101 101 CYS H H 376 8.130 8.130 8.000 0.130 17775 2970 1 5 . 1 1 102 102 ASN N N 377 117.140 117.140 118.079 -0.939 17775 2971 1 5 . 1 1 102 102 ASN HA H 377 4.290 4.290 4.330 -0.040 17775 2972 1 5 . 1 1 102 102 ASN C C 377 176.980 176.980 176.978 0.002 17775 2973 1 5 . 1 1 102 102 ASN CA C 377 56.460 56.460 56.398 0.062 17775 2974 1 5 . 1 1 102 102 ASN CB C 377 38.440 38.440 38.633 -0.193 17775 2975 1 5 . 1 1 102 102 ASN H H 377 8.430 8.430 7.959 0.471 17775 2976 1 5 . 1 1 103 103 ALA N N 378 123.350 123.350 123.068 0.282 17775 2977 1 5 . 1 1 103 103 ALA HA H 378 4.130 4.130 4.048 0.082 17775 2978 1 5 . 1 1 103 103 ALA C C 378 180.510 180.510 179.754 0.756 17775 2979 1 5 . 1 1 103 103 ALA CA C 378 55.120 55.120 55.148 -0.028 17775 2980 1 5 . 1 1 103 103 ALA CB C 378 17.960 17.960 18.337 -0.378 17775 2981 1 5 . 1 1 103 103 ALA H H 378 8.130 8.130 7.823 0.307 17775 2982 1 5 . 1 1 104 104 ILE N N 379 120.880 120.880 119.169 1.711 17775 2983 1 5 . 1 1 104 104 ILE HA H 379 3.680 3.680 3.642 0.038 17775 2984 1 5 . 1 1 104 104 ILE C C 379 178.260 178.260 178.132 0.128 17775 2985 1 5 . 1 1 104 104 ILE CA C 379 64.860 64.860 65.780 -0.920 17775 2986 1 5 . 1 1 104 104 ILE CB C 379 38.080 38.080 38.008 0.072 17775 2987 1 5 . 1 1 104 104 ILE H H 379 8.010 8.010 7.720 0.290 17775 2988 1 5 . 1 1 105 105 ILE N N 380 119.970 119.970 119.738 0.232 17775 2989 1 5 . 1 1 105 105 ILE HA H 380 3.430 3.430 3.735 -0.305 17775 2990 1 5 . 1 1 105 105 ILE C C 380 177.660 177.660 178.202 -0.542 17775 2991 1 5 . 1 1 105 105 ILE CA C 380 65.490 65.490 65.806 -0.316 17775 2992 1 5 . 1 1 105 105 ILE CB C 380 38.060 38.060 37.529 0.531 17775 2993 1 5 . 1 1 105 105 ILE H H 380 8.060 8.060 7.685 0.375 17775 2994 1 5 . 1 1 106 106 GLU N N 381 118.640 118.640 119.338 -0.698 17775 2995 1 5 . 1 1 106 106 GLU HA H 381 3.970 3.970 3.904 0.066 17775 2996 1 5 . 1 1 106 106 GLU C C 381 178.440 178.440 178.915 -0.475 17775 2997 1 5 . 1 1 106 106 GLU CA C 381 59.260 59.260 59.772 -0.512 17775 2998 1 5 . 1 1 106 106 GLU CB C 381 29.570 29.570 29.241 0.329 17775 2999 1 5 . 1 1 106 106 GLU H H 381 8.140 8.140 8.045 0.095 17775 3000 1 5 . 1 1 107 107 GLN N N 382 117.770 117.770 119.512 -1.742 17775 3001 1 5 . 1 1 107 107 GLN HA H 382 4.040 4.040 3.925 0.115 17775 3002 1 5 . 1 1 107 107 GLN C C 382 177.550 177.550 178.456 -0.906 17775 3003 1 5 . 1 1 107 107 GLN CA C 382 58.170 58.170 59.007 -0.837 17775 3004 1 5 . 1 1 107 107 GLN CB C 382 28.770 28.770 28.518 0.252 17775 3005 1 5 . 1 1 107 107 GLN H H 382 7.710 7.710 7.894 -0.184 17775 3006 1 5 . 1 1 108 108 PHE N N 383 118.750 118.750 118.773 -0.023 17775 3007 1 5 . 1 1 108 108 PHE HA H 383 4.490 4.490 4.304 0.186 17775 3008 1 5 . 1 1 108 108 PHE C C 383 176.570 176.570 178.116 -1.546 17775 3009 1 5 . 1 1 108 108 PHE CA C 383 59.360 59.360 62.580 -3.220 17775 3010 1 5 . 1 1 108 108 PHE CB C 383 38.760 38.760 38.959 -0.199 17775 3011 1 5 . 1 1 108 108 PHE H H 383 7.880 7.880 7.842 0.038 17775 3012 1 5 . 1 1 109 109 ILE N N 384 118.200 118.200 120.009 -1.809 17775 3013 1 5 . 1 1 109 109 ILE HA H 384 3.720 3.720 3.753 -0.033 17775 3014 1 5 . 1 1 109 109 ILE C C 384 177.450 177.450 178.400 -0.950 17775 3015 1 5 . 1 1 109 109 ILE CA C 384 64.280 64.280 65.131 -0.851 17775 3016 1 5 . 1 1 109 109 ILE CB C 384 37.870 37.870 37.849 0.021 17775 3017 1 5 . 1 1 109 109 ILE H H 384 7.950 7.950 7.815 0.135 17775 3018 1 5 . 1 1 110 110 ASP N N 385 119.750 119.750 120.485 -0.735 17775 3019 1 5 . 1 1 110 110 ASP HA H 385 4.440 4.440 4.449 -0.009 17775 3020 1 5 . 1 1 110 110 ASP C C 385 177.620 177.620 178.411 -0.791 17775 3021 1 5 . 1 1 110 110 ASP CA C 385 56.500 56.500 57.013 -0.513 17775 3022 1 5 . 1 1 110 110 ASP CB C 385 40.860 40.860 40.695 0.165 17775 3023 1 5 . 1 1 110 110 ASP H H 385 7.840 7.840 7.875 -0.035 17775 3024 1 5 . 1 1 111 111 TYR N N 386 118.370 118.370 117.894 0.476 17775 3025 1 5 . 1 1 111 111 TYR HA H 386 4.430 4.430 4.273 0.157 17775 3026 1 5 . 1 1 111 111 TYR C C 386 176.320 176.320 177.406 -1.086 17775 3027 1 5 . 1 1 111 111 TYR CA C 386 58.940 58.940 60.421 -1.481 17775 3028 1 5 . 1 1 111 111 TYR CB C 386 38.440 38.440 38.623 -0.183 17775 3029 1 5 . 1 1 111 111 TYR H H 386 7.760 7.760 7.701 0.059 17775 3030 1 5 . 1 1 112 112 LEU N N 387 119.730 119.730 119.245 0.485 17775 3031 1 5 . 1 1 112 112 LEU HA H 387 4.230 4.230 4.357 -0.127 17775 3032 1 5 . 1 1 112 112 LEU C C 387 175.900 175.900 177.638 -1.738 17775 3033 1 5 . 1 1 112 112 LEU CA C 387 55.090 55.090 56.585 -1.495 17775 3034 1 5 . 1 1 112 112 LEU CB C 387 42.670 42.670 42.957 -0.287 17775 3035 1 5 . 1 1 112 112 LEU H H 387 7.660 7.660 7.852 -0.192 17775 3036 1 6 . 1 1 5 5 ILE HA H 280 4.190 4.190 3.819 0.371 17775 3037 1 6 . 1 1 5 5 ILE CA C 280 61.650 61.650 63.978 -2.329 17775 3038 1 6 . 1 1 5 5 ILE CB C 280 38.520 38.520 37.565 0.955 17775 3039 1 6 . 1 1 6 6 THR HA H 281 4.340 4.340 3.944 0.396 17775 3040 1 6 . 1 1 6 6 THR CA C 281 62.680 62.680 66.099 -3.419 17775 3041 1 6 . 1 1 6 6 THR CB C 281 69.630 69.630 68.509 1.121 17775 3042 1 6 . 1 1 8 8 PRO HA H 283 4.230 4.230 4.493 -0.263 17775 3043 1 6 . 1 1 8 8 PRO CA C 283 65.940 65.940 65.766 0.174 17775 3044 1 6 . 1 1 8 8 PRO CB C 283 30.730 30.730 30.786 -0.056 17775 3045 1 6 . 1 1 9 9 ILE N N 284 115.670 115.670 118.724 -3.054 17775 3046 1 6 . 1 1 9 9 ILE HA H 284 3.420 3.420 3.831 -0.411 17775 3047 1 6 . 1 1 9 9 ILE C C 284 177.820 177.820 178.298 -0.478 17775 3048 1 6 . 1 1 9 9 ILE CA C 284 65.540 65.540 63.749 1.790 17775 3049 1 6 . 1 1 9 9 ILE CB C 284 36.810 36.810 36.845 -0.035 17775 3050 1 6 . 1 1 9 9 ILE H H 284 7.300 7.300 7.226 0.074 17775 3051 1 6 . 1 1 10 10 ILE N N 285 121.880 121.880 120.785 1.095 17775 3052 1 6 . 1 1 10 10 ILE HA H 285 3.800 3.800 3.840 -0.040 17775 3053 1 6 . 1 1 10 10 ILE C C 285 177.690 177.690 178.963 -1.273 17775 3054 1 6 . 1 1 10 10 ILE CA C 285 62.880 62.880 63.235 -0.355 17775 3055 1 6 . 1 1 10 10 ILE CB C 285 36.560 36.560 36.282 0.278 17775 3056 1 6 . 1 1 10 10 ILE H H 285 7.880 7.880 7.732 0.148 17775 3057 1 6 . 1 1 11 11 GLU N N 286 120.580 120.580 120.188 0.392 17775 3058 1 6 . 1 1 11 11 GLU HA H 286 4.080 4.080 4.101 -0.021 17775 3059 1 6 . 1 1 11 11 GLU C C 286 180.980 180.980 179.661 1.319 17775 3060 1 6 . 1 1 11 11 GLU CA C 286 59.630 59.630 59.697 -0.067 17775 3061 1 6 . 1 1 11 11 GLU CB C 286 29.550 29.550 29.432 0.118 17775 3062 1 6 . 1 1 11 11 GLU H H 286 8.450 8.450 7.885 0.565 17775 3063 1 6 . 1 1 12 12 LEU N N 287 121.340 121.340 119.361 1.979 17775 3064 1 6 . 1 1 12 12 LEU HA H 287 4.010 4.010 4.062 -0.052 17775 3065 1 6 . 1 1 12 12 LEU C C 287 178.030 178.030 179.126 -1.096 17775 3066 1 6 . 1 1 12 12 LEU CA C 287 58.310 58.310 58.098 0.212 17775 3067 1 6 . 1 1 12 12 LEU CB C 287 42.050 42.050 41.839 0.211 17775 3068 1 6 . 1 1 12 12 LEU H H 287 8.490 8.490 8.043 0.447 17775 3069 1 6 . 1 1 13 13 SER N N 288 117.590 117.590 115.153 2.437 17775 3070 1 6 . 1 1 13 13 SER HA H 288 4.190 4.190 4.064 0.126 17775 3071 1 6 . 1 1 13 13 SER C C 288 175.660 175.660 176.760 -1.100 17775 3072 1 6 . 1 1 13 13 SER CA C 288 61.670 61.670 61.731 -0.061 17775 3073 1 6 . 1 1 13 13 SER CB C 288 62.490 62.490 62.990 -0.500 17775 3074 1 6 . 1 1 13 13 SER H H 288 8.330 8.330 8.128 0.202 17775 3075 1 6 . 1 1 14 14 ASN N N 289 119.150 119.150 120.634 -1.484 17775 3076 1 6 . 1 1 14 14 ASN HA H 289 4.450 4.450 4.534 -0.084 17775 3077 1 6 . 1 1 14 14 ASN C C 289 178.480 178.480 177.887 0.593 17775 3078 1 6 . 1 1 14 14 ASN CA C 289 55.870 55.870 56.103 -0.233 17775 3079 1 6 . 1 1 14 14 ASN CB C 289 38.090 38.090 38.261 -0.171 17775 3080 1 6 . 1 1 14 14 ASN H H 289 8.650 8.650 8.196 0.454 17775 3081 1 6 . 1 1 15 15 THR N N 290 117.650 117.650 117.176 0.474 17775 3082 1 6 . 1 1 15 15 THR HA H 290 3.830 3.830 3.970 -0.140 17775 3083 1 6 . 1 1 15 15 THR C C 290 175.030 175.030 176.014 -0.984 17775 3084 1 6 . 1 1 15 15 THR CA C 290 67.790 67.790 66.769 1.021 17775 3085 1 6 . 1 1 15 15 THR CB C 290 68.660 68.660 68.757 -0.097 17775 3086 1 6 . 1 1 15 15 THR H H 290 8.040 8.040 8.057 -0.017 17775 3087 1 6 . 1 1 16 16 ALA N N 291 124.470 124.470 124.346 0.124 17775 3088 1 6 . 1 1 16 16 ALA HA H 291 3.850 3.850 3.932 -0.082 17775 3089 1 6 . 1 1 16 16 ALA C C 291 178.470 178.470 179.228 -0.758 17775 3090 1 6 . 1 1 16 16 ALA CA C 291 55.430 55.430 55.214 0.216 17775 3091 1 6 . 1 1 16 16 ALA CB C 291 17.820 17.820 18.246 -0.426 17775 3092 1 6 . 1 1 16 16 ALA H H 291 8.530 8.530 7.852 0.678 17775 3093 1 6 . 1 1 17 17 ASP N N 292 117.560 117.560 119.065 -1.505 17775 3094 1 6 . 1 1 17 17 ASP HA H 292 4.360 4.360 4.335 0.025 17775 3095 1 6 . 1 1 17 17 ASP C C 292 178.420 178.420 178.807 -0.387 17775 3096 1 6 . 1 1 17 17 ASP CA C 292 57.430 57.430 57.667 -0.237 17775 3097 1 6 . 1 1 17 17 ASP CB C 292 40.130 40.130 40.364 -0.234 17775 3098 1 6 . 1 1 17 17 ASP H H 292 8.290 8.290 7.978 0.312 17775 3099 1 6 . 1 1 18 18 LYS N N 293 119.100 119.100 120.129 -1.029 17775 3100 1 6 . 1 1 18 18 LYS HA H 293 4.010 4.010 4.326 -0.316 17775 3101 1 6 . 1 1 18 18 LYS C C 293 180.170 180.170 179.044 1.126 17775 3102 1 6 . 1 1 18 18 LYS CA C 293 59.020 59.020 59.239 -0.219 17775 3103 1 6 . 1 1 18 18 LYS CB C 293 32.270 32.270 32.524 -0.254 17775 3104 1 6 . 1 1 18 18 LYS H H 293 7.690 7.690 7.501 0.189 17775 3105 1 6 . 1 1 19 19 ILE N N 294 122.510 122.510 119.844 2.666 17775 3106 1 6 . 1 1 19 19 ILE HA H 294 3.690 3.690 4.022 -0.332 17775 3107 1 6 . 1 1 19 19 ILE C C 294 178.920 178.920 178.706 0.214 17775 3108 1 6 . 1 1 19 19 ILE CA C 294 64.400 64.400 64.858 -0.458 17775 3109 1 6 . 1 1 19 19 ILE CB C 294 38.320 38.320 37.897 0.423 17775 3110 1 6 . 1 1 19 19 ILE H H 294 8.220 8.220 7.787 0.433 17775 3111 1 6 . 1 1 20 20 ALA N N 295 123.270 123.270 122.273 0.997 17775 3112 1 6 . 1 1 20 20 ALA HA H 295 3.850 3.850 4.065 -0.215 17775 3113 1 6 . 1 1 20 20 ALA C C 295 179.390 179.390 178.953 0.437 17775 3114 1 6 . 1 1 20 20 ALA CA C 295 55.370 55.370 54.856 0.514 17775 3115 1 6 . 1 1 20 20 ALA CB C 295 17.880 17.880 18.337 -0.457 17775 3116 1 6 . 1 1 20 20 ALA H H 295 8.580 8.580 7.853 0.727 17775 3117 1 6 . 1 1 21 21 GLU N N 296 115.530 115.530 116.429 -0.899 17775 3118 1 6 . 1 1 21 21 GLU HA H 296 4.160 4.160 4.182 -0.022 17775 3119 1 6 . 1 1 21 21 GLU C C 296 176.560 176.560 177.664 -1.104 17775 3120 1 6 . 1 1 21 21 GLU CA C 296 56.400 56.400 56.365 0.035 17775 3121 1 6 . 1 1 21 21 GLU CB C 296 29.830 29.830 29.692 0.138 17775 3122 1 6 . 1 1 21 21 GLU H H 296 7.680 7.680 7.743 -0.063 17775 3123 1 6 . 1 1 22 22 GLY N N 297 105.910 105.910 107.722 -1.812 17775 3124 1 6 . 1 1 22 22 GLY C C 297 174.160 174.160 174.406 -0.246 17775 3125 1 6 . 1 1 22 22 GLY CA C 297 45.040 45.040 44.660 0.380 17775 3126 1 6 . 1 1 22 22 GLY H H 297 7.820 7.820 7.989 -0.169 17775 3127 1 6 . 1 1 23 23 ASN N N 298 120.260 120.260 121.379 -1.119 17775 3128 1 6 . 1 1 23 23 ASN HA H 298 4.960 4.960 4.957 0.003 17775 3129 1 6 . 1 1 23 23 ASN C C 298 174.560 174.560 176.021 -1.461 17775 3130 1 6 . 1 1 23 23 ASN CA C 298 51.800 51.800 51.684 0.116 17775 3131 1 6 . 1 1 23 23 ASN CB C 298 36.750 36.750 37.301 -0.551 17775 3132 1 6 . 1 1 23 23 ASN H H 298 8.070 8.070 8.095 -0.025 17775 3133 1 6 . 1 1 24 24 LEU N N 299 119.750 119.750 122.517 -2.767 17775 3134 1 6 . 1 1 24 24 LEU HA H 299 3.950 3.950 4.013 -0.063 17775 3135 1 6 . 1 1 24 24 LEU C C 299 176.390 176.390 178.052 -1.662 17775 3136 1 6 . 1 1 24 24 LEU CA C 299 56.250 56.250 57.422 -1.172 17775 3137 1 6 . 1 1 24 24 LEU CB C 299 41.260 41.260 41.414 -0.154 17775 3138 1 6 . 1 1 24 24 LEU H H 299 7.850 7.850 7.502 0.348 17775 3139 1 6 . 1 1 25 25 GLU N N 300 114.210 114.210 117.865 -3.655 17775 3140 1 6 . 1 1 25 25 GLU HA H 300 4.230 4.230 4.189 0.041 17775 3141 1 6 . 1 1 25 25 GLU C C 300 176.050 176.050 176.215 -0.165 17775 3142 1 6 . 1 1 25 25 GLU CA C 300 55.640 55.640 56.580 -0.940 17775 3143 1 6 . 1 1 25 25 GLU CB C 300 29.410 29.410 29.336 0.074 17775 3144 1 6 . 1 1 25 25 GLU H H 300 7.840 7.840 8.427 -0.587 17775 3145 1 6 . 1 1 26 26 ALA N N 301 124.010 124.010 124.430 -0.420 17775 3146 1 6 . 1 1 26 26 ALA HA H 301 3.880 3.880 4.130 -0.250 17775 3147 1 6 . 1 1 26 26 ALA C C 301 175.390 175.390 177.172 -1.782 17775 3148 1 6 . 1 1 26 26 ALA CA C 301 52.890 52.890 52.479 0.411 17775 3149 1 6 . 1 1 26 26 ALA CB C 301 18.570 18.570 18.767 -0.197 17775 3150 1 6 . 1 1 26 26 ALA H H 301 6.770 6.770 7.298 -0.528 17775 3151 1 6 . 1 1 27 27 GLU N N 302 120.120 120.120 123.783 -3.663 17775 3152 1 6 . 1 1 27 27 GLU HA H 302 4.080 4.080 4.178 -0.098 17775 3153 1 6 . 1 1 27 27 GLU C C 302 176.510 176.510 176.281 0.229 17775 3154 1 6 . 1 1 27 27 GLU CA C 302 55.150 55.150 56.223 -1.073 17775 3155 1 6 . 1 1 27 27 GLU CB C 302 30.160 30.160 30.521 -0.361 17775 3156 1 6 . 1 1 27 27 GLU H H 302 7.880 7.880 8.410 -0.530 17775 3157 1 6 . 1 1 28 28 VAL N N 303 129.020 129.020 125.216 3.804 17775 3158 1 6 . 1 1 28 28 VAL HA H 303 4.230 4.230 4.111 0.119 17775 3159 1 6 . 1 1 28 28 VAL CA C 303 60.440 60.440 60.991 -0.551 17775 3160 1 6 . 1 1 28 28 VAL CB C 303 31.760 31.760 31.633 0.127 17775 3161 1 6 . 1 1 28 28 VAL H H 303 8.890 8.890 8.102 0.788 17775 3162 1 6 . 1 1 29 29 PRO HA H 304 4.400 4.400 4.580 -0.180 17775 3163 1 6 . 1 1 29 29 PRO CA C 304 62.790 62.790 62.197 0.593 17775 3164 1 6 . 1 1 29 29 PRO CB C 304 32.120 32.120 32.758 -0.638 17775 3165 1 6 . 1 1 30 30 HIS N N 305 103.640 103.640 112.795 -9.155 17775 3166 1 6 . 1 1 30 30 HIS HA H 305 4.210 4.210 4.211 -0.001 17775 3167 1 6 . 1 1 30 30 HIS C C 305 175.590 175.590 176.994 -1.404 17775 3168 1 6 . 1 1 30 30 HIS CA C 305 57.950 57.950 57.295 0.655 17775 3169 1 6 . 1 1 30 30 HIS CB C 305 27.910 27.910 27.442 0.468 17775 3170 1 6 . 1 1 30 30 HIS H H 305 7.780 7.780 8.329 -0.549 17775 3171 1 6 . 1 1 31 31 GLN N N 306 114.840 114.840 118.512 -3.672 17775 3172 1 6 . 1 1 31 31 GLN HA H 306 3.990 3.990 4.100 -0.110 17775 3173 1 6 . 1 1 31 31 GLN C C 306 176.290 176.290 176.930 -0.640 17775 3174 1 6 . 1 1 31 31 GLN CA C 306 58.680 58.680 58.661 0.019 17775 3175 1 6 . 1 1 31 31 GLN CB C 306 30.630 30.630 28.739 1.891 17775 3176 1 6 . 1 1 31 31 GLN H H 306 8.010 8.010 8.704 -0.694 17775 3177 1 6 . 1 1 32 32 ASN N N 307 113.230 113.230 115.517 -2.287 17775 3178 1 6 . 1 1 32 32 ASN HA H 307 4.640 4.640 4.678 -0.038 17775 3179 1 6 . 1 1 32 32 ASN C C 307 175.610 175.610 175.120 0.490 17775 3180 1 6 . 1 1 32 32 ASN CA C 307 52.800 52.800 53.401 -0.601 17775 3181 1 6 . 1 1 32 32 ASN CB C 307 37.630 37.630 38.517 -0.887 17775 3182 1 6 . 1 1 32 32 ASN H H 307 8.360 8.360 8.354 0.006 17775 3183 1 6 . 1 1 33 33 ARG N N 308 119.580 119.580 121.076 -1.496 17775 3184 1 6 . 1 1 33 33 ARG HA H 308 4.140 4.140 4.291 -0.151 17775 3185 1 6 . 1 1 33 33 ARG CA C 308 56.950 56.950 56.874 0.076 17775 3186 1 6 . 1 1 33 33 ARG CB C 308 33.030 33.030 30.963 2.067 17775 3187 1 6 . 1 1 33 33 ARG H H 308 7.160 7.160 7.428 -0.268 17775 3188 1 6 . 1 1 34 34 ALA HA H 309 4.530 4.530 4.274 0.256 17775 3189 1 6 . 1 1 34 34 ALA C C 309 176.610 176.610 177.073 -0.463 17775 3190 1 6 . 1 1 34 34 ALA CA C 309 51.650 51.650 52.751 -1.101 17775 3191 1 6 . 1 1 34 34 ALA CB C 309 18.830 18.830 19.145 -0.315 17775 3192 1 6 . 1 1 35 35 ASP N N 310 117.680 117.680 118.826 -1.146 17775 3193 1 6 . 1 1 35 35 ASP HA H 310 4.660 4.660 4.645 0.015 17775 3194 1 6 . 1 1 35 35 ASP C C 310 176.740 176.740 177.066 -0.326 17775 3195 1 6 . 1 1 35 35 ASP CA C 310 52.240 52.240 52.864 -0.624 17775 3196 1 6 . 1 1 35 35 ASP CB C 310 41.580 41.580 40.653 0.927 17775 3197 1 6 . 1 1 35 35 ASP H H 310 7.460 7.460 7.698 -0.238 17775 3198 1 6 . 1 1 36 36 GLU N N 311 118.110 118.110 117.288 0.822 17775 3199 1 6 . 1 1 36 36 GLU HA H 311 3.870 3.870 4.060 -0.190 17775 3200 1 6 . 1 1 36 36 GLU C C 311 177.440 177.440 178.368 -0.928 17775 3201 1 6 . 1 1 36 36 GLU CA C 311 60.460 60.460 59.751 0.709 17775 3202 1 6 . 1 1 36 36 GLU CB C 311 27.660 27.660 29.365 -1.705 17775 3203 1 6 . 1 1 36 36 GLU H H 311 9.910 9.910 8.661 1.249 17775 3204 1 6 . 1 1 37 37 ILE N N 312 118.790 118.790 119.473 -0.683 17775 3205 1 6 . 1 1 37 37 ILE HA H 312 3.570 3.570 3.856 -0.286 17775 3206 1 6 . 1 1 37 37 ILE C C 312 177.460 177.460 178.134 -0.674 17775 3207 1 6 . 1 1 37 37 ILE CA C 312 63.170 63.170 62.859 0.311 17775 3208 1 6 . 1 1 37 37 ILE CB C 312 35.770 35.770 36.607 -0.837 17775 3209 1 6 . 1 1 37 37 ILE H H 312 7.420 7.420 7.605 -0.185 17775 3210 1 6 . 1 1 38 38 GLY N N 313 108.320 108.320 109.131 -0.811 17775 3211 1 6 . 1 1 38 38 GLY C C 313 176.200 176.200 176.209 -0.009 17775 3212 1 6 . 1 1 38 38 GLY CA C 313 47.090 47.090 47.354 -0.264 17775 3213 1 6 . 1 1 38 38 GLY H H 313 7.510 7.510 7.888 -0.378 17775 3214 1 6 . 1 1 39 39 ILE N N 314 121.890 121.890 122.469 -0.579 17775 3215 1 6 . 1 1 39 39 ILE HA H 314 3.630 3.630 3.694 -0.064 17775 3216 1 6 . 1 1 39 39 ILE C C 314 179.070 179.070 177.558 1.512 17775 3217 1 6 . 1 1 39 39 ILE CA C 314 64.750 64.750 64.942 -0.192 17775 3218 1 6 . 1 1 39 39 ILE CB C 314 37.610 37.610 37.960 -0.350 17775 3219 1 6 . 1 1 39 39 ILE H H 314 7.390 7.390 7.661 -0.271 17775 3220 1 6 . 1 1 40 40 LEU N N 315 121.370 121.370 121.523 -0.153 17775 3221 1 6 . 1 1 40 40 LEU HA H 315 4.120 4.120 4.053 0.067 17775 3222 1 6 . 1 1 40 40 LEU C C 315 178.560 178.560 178.183 0.377 17775 3223 1 6 . 1 1 40 40 LEU CA C 315 57.620 57.620 57.846 -0.226 17775 3224 1 6 . 1 1 40 40 LEU CB C 315 41.490 41.490 41.541 -0.051 17775 3225 1 6 . 1 1 40 40 LEU H H 315 7.770 7.770 7.843 -0.073 17775 3226 1 6 . 1 1 41 41 ALA N N 316 123.480 123.480 121.494 1.986 17775 3227 1 6 . 1 1 41 41 ALA HA H 316 3.840 3.840 3.939 -0.099 17775 3228 1 6 . 1 1 41 41 ALA C C 316 179.700 179.700 179.542 0.158 17775 3229 1 6 . 1 1 41 41 ALA CA C 316 56.180 56.180 55.471 0.709 17775 3230 1 6 . 1 1 41 41 ALA CB C 316 19.870 19.870 18.331 1.539 17775 3231 1 6 . 1 1 41 41 ALA H H 316 9.020 9.020 7.970 1.050 17775 3232 1 6 . 1 1 42 42 LYS N N 317 116.890 116.890 118.381 -1.491 17775 3233 1 6 . 1 1 42 42 LYS HA H 317 3.900 3.900 3.994 -0.094 17775 3234 1 6 . 1 1 42 42 LYS C C 317 179.730 179.730 179.141 0.589 17775 3235 1 6 . 1 1 42 42 LYS CA C 317 60.430 60.430 59.452 0.978 17775 3236 1 6 . 1 1 42 42 LYS H H 317 8.320 8.320 7.974 0.346 17775 3237 1 6 . 1 1 43 43 SER N N 318 119.130 119.130 115.668 3.462 17775 3238 1 6 . 1 1 43 43 SER HA H 318 4.340 4.340 4.215 0.125 17775 3239 1 6 . 1 1 43 43 SER C C 318 177.430 177.430 176.614 0.816 17775 3240 1 6 . 1 1 43 43 SER CA C 318 62.630 62.630 61.760 0.870 17775 3241 1 6 . 1 1 43 43 SER CB C 318 63.050 63.050 62.754 0.296 17775 3242 1 6 . 1 1 43 43 SER H H 318 8.060 8.060 7.997 0.063 17775 3243 1 6 . 1 1 44 44 ILE N N 319 124.020 124.020 122.745 1.275 17775 3244 1 6 . 1 1 44 44 ILE HA H 319 3.640 3.640 3.670 -0.030 17775 3245 1 6 . 1 1 44 44 ILE C C 319 177.190 177.190 177.891 -0.701 17775 3246 1 6 . 1 1 44 44 ILE CA C 319 65.020 65.020 65.133 -0.113 17775 3247 1 6 . 1 1 44 44 ILE CB C 319 36.790 36.790 37.577 -0.787 17775 3248 1 6 . 1 1 44 44 ILE H H 319 8.250 8.250 7.634 0.616 17775 3249 1 6 . 1 1 45 45 GLU N N 320 123.090 123.090 120.753 2.337 17775 3250 1 6 . 1 1 45 45 GLU HA H 320 4.600 4.600 3.953 0.647 17775 3251 1 6 . 1 1 45 45 GLU C C 320 178.190 178.190 178.648 -0.458 17775 3252 1 6 . 1 1 45 45 GLU CA C 320 58.430 58.430 59.516 -1.086 17775 3253 1 6 . 1 1 45 45 GLU CB C 320 27.700 27.700 29.207 -1.507 17775 3254 1 6 . 1 1 45 45 GLU H H 320 8.390 8.390 8.019 0.371 17775 3255 1 6 . 1 1 46 46 ARG N N 321 119.760 119.760 119.279 0.481 17775 3256 1 6 . 1 1 46 46 ARG HA H 321 3.930 3.930 4.051 -0.121 17775 3257 1 6 . 1 1 46 46 ARG C C 321 179.950 179.950 179.067 0.883 17775 3258 1 6 . 1 1 46 46 ARG CA C 321 60.440 60.440 59.415 1.025 17775 3259 1 6 . 1 1 46 46 ARG CB C 321 29.770 29.770 30.161 -0.391 17775 3260 1 6 . 1 1 46 46 ARG H H 321 8.000 8.000 7.776 0.224 17775 3261 1 6 . 1 1 47 47 LEU N N 322 121.360 121.360 119.721 1.639 17775 3262 1 6 . 1 1 47 47 LEU HA H 322 4.020 4.020 3.961 0.059 17775 3263 1 6 . 1 1 47 47 LEU C C 322 178.040 178.040 178.738 -0.698 17775 3264 1 6 . 1 1 47 47 LEU CA C 322 58.550 58.550 57.944 0.606 17775 3265 1 6 . 1 1 47 47 LEU CB C 322 41.650 41.650 41.476 0.174 17775 3266 1 6 . 1 1 47 47 LEU H H 322 7.870 7.870 7.859 0.011 17775 3267 1 6 . 1 1 48 48 ARG N N 323 121.390 121.390 119.303 2.087 17775 3268 1 6 . 1 1 48 48 ARG HA H 323 3.690 3.690 3.922 -0.232 17775 3269 1 6 . 1 1 48 48 ARG C C 323 178.120 178.120 178.308 -0.188 17775 3270 1 6 . 1 1 48 48 ARG CA C 323 60.630 60.630 59.729 0.901 17775 3271 1 6 . 1 1 48 48 ARG CB C 323 30.230 30.230 29.979 0.251 17775 3272 1 6 . 1 1 48 48 ARG H H 323 8.730 8.730 8.005 0.725 17775 3273 1 6 . 1 1 49 49 ARG N N 324 116.720 116.720 118.675 -1.955 17775 3274 1 6 . 1 1 49 49 ARG HA H 324 3.840 3.840 4.009 -0.169 17775 3275 1 6 . 1 1 49 49 ARG C C 324 179.060 179.060 178.422 0.638 17775 3276 1 6 . 1 1 49 49 ARG CA C 324 59.930 59.930 59.923 0.007 17775 3277 1 6 . 1 1 49 49 ARG CB C 324 29.830 29.830 30.130 -0.300 17775 3278 1 6 . 1 1 49 49 ARG H H 324 8.550 8.550 8.306 0.244 17775 3279 1 6 . 1 1 50 50 SER N N 325 117.600 117.600 115.881 1.719 17775 3280 1 6 . 1 1 50 50 SER HA H 325 4.120 4.120 4.207 -0.087 17775 3281 1 6 . 1 1 50 50 SER C C 325 176.050 176.050 176.658 -0.608 17775 3282 1 6 . 1 1 50 50 SER CA C 325 62.630 62.630 62.659 -0.029 17775 3283 1 6 . 1 1 50 50 SER CB C 325 62.950 62.950 62.956 -0.006 17775 3284 1 6 . 1 1 50 50 SER H H 325 8.170 8.170 7.822 0.348 17775 3285 1 6 . 1 1 51 51 LEU N N 326 123.730 123.730 122.039 1.691 17775 3286 1 6 . 1 1 51 51 LEU HA H 326 3.990 3.990 3.908 0.082 17775 3287 1 6 . 1 1 51 51 LEU C C 326 177.380 177.380 178.501 -1.121 17775 3288 1 6 . 1 1 51 51 LEU CA C 326 58.580 58.580 58.054 0.526 17775 3289 1 6 . 1 1 51 51 LEU CB C 326 42.190 42.190 41.728 0.462 17775 3290 1 6 . 1 1 51 51 LEU H H 326 8.190 8.190 7.840 0.350 17775 3291 1 6 . 1 1 52 52 LYS N N 327 119.170 119.170 118.955 0.215 17775 3292 1 6 . 1 1 52 52 LYS HA H 327 3.860 3.860 3.895 -0.035 17775 3293 1 6 . 1 1 52 52 LYS C C 327 179.050 179.050 178.704 0.346 17775 3294 1 6 . 1 1 52 52 LYS CA C 327 59.700 59.700 59.192 0.508 17775 3295 1 6 . 1 1 52 52 LYS CB C 327 32.020 32.020 32.012 0.008 17775 3296 1 6 . 1 1 52 52 LYS H H 327 8.580 8.580 7.906 0.674 17775 3297 1 6 . 1 1 53 53 GLN N N 328 118.180 118.180 119.548 -1.368 17775 3298 1 6 . 1 1 53 53 GLN HA H 328 4.080 4.080 4.066 0.014 17775 3299 1 6 . 1 1 53 53 GLN C C 328 177.960 177.960 178.396 -0.436 17775 3300 1 6 . 1 1 53 53 GLN CA C 328 58.690 58.690 59.030 -0.340 17775 3301 1 6 . 1 1 53 53 GLN CB C 328 28.450 28.450 28.705 -0.255 17775 3302 1 6 . 1 1 53 53 GLN H H 328 8.080 8.080 7.940 0.140 17775 3303 1 6 . 1 1 54 54 LEU N N 329 118.740 118.740 119.889 -1.149 17775 3304 1 6 . 1 1 54 54 LEU HA H 329 4.150 4.150 3.949 0.201 17775 3305 1 6 . 1 1 54 54 LEU C C 329 179.580 179.580 178.727 0.853 17775 3306 1 6 . 1 1 54 54 LEU CA C 329 58.080 58.080 57.709 0.371 17775 3307 1 6 . 1 1 54 54 LEU CB C 329 42.620 42.620 41.743 0.877 17775 3308 1 6 . 1 1 54 54 LEU H H 329 7.680 7.680 8.025 -0.345 17775 3309 1 6 . 1 1 55 55 ALA N N 330 123.330 123.330 122.013 1.317 17775 3310 1 6 . 1 1 55 55 ALA HA H 330 4.050 4.050 3.913 0.137 17775 3311 1 6 . 1 1 55 55 ALA C C 330 180.530 180.530 179.427 1.103 17775 3312 1 6 . 1 1 55 55 ALA CA C 330 55.630 55.630 55.472 0.158 17775 3313 1 6 . 1 1 55 55 ALA CB C 330 18.320 18.320 17.989 0.331 17775 3314 1 6 . 1 1 55 55 ALA H H 330 8.390 8.390 7.985 0.405 17775 3315 1 6 . 1 1 56 56 ASP N N 331 121.350 121.350 119.491 1.859 17775 3316 1 6 . 1 1 56 56 ASP HA H 331 4.420 4.420 4.363 0.057 17775 3317 1 6 . 1 1 56 56 ASP C C 331 179.100 179.100 178.605 0.495 17775 3318 1 6 . 1 1 56 56 ASP CA C 331 57.430 57.430 57.273 0.158 17775 3319 1 6 . 1 1 56 56 ASP CB C 331 39.630 39.630 40.229 -0.599 17775 3320 1 6 . 1 1 56 56 ASP H H 331 8.820 8.820 8.067 0.753 17775 3321 1 6 . 1 1 57 57 ASP N N 332 121.570 121.570 120.444 1.126 17775 3322 1 6 . 1 1 57 57 ASP HA H 332 4.490 4.490 4.379 0.111 17775 3323 1 6 . 1 1 57 57 ASP C C 332 179.080 179.080 178.520 0.560 17775 3324 1 6 . 1 1 57 57 ASP CA C 332 57.380 57.380 57.345 0.035 17775 3325 1 6 . 1 1 57 57 ASP CB C 332 40.440 40.440 40.620 -0.180 17775 3326 1 6 . 1 1 57 57 ASP H H 332 8.420 8.420 8.228 0.192 17775 3327 1 6 . 1 1 58 58 ARG N N 333 120.250 120.250 119.822 0.428 17775 3328 1 6 . 1 1 58 58 ARG HA H 333 3.940 3.940 3.967 -0.027 17775 3329 1 6 . 1 1 58 58 ARG C C 333 177.770 177.770 178.548 -0.778 17775 3330 1 6 . 1 1 58 58 ARG CA C 333 58.790 58.790 59.735 -0.945 17775 3331 1 6 . 1 1 58 58 ARG CB C 333 30.300 30.300 30.474 -0.174 17775 3332 1 6 . 1 1 58 58 ARG H H 333 7.900 7.900 7.858 0.042 17775 3333 1 6 . 1 1 59 59 THR N N 334 115.160 115.160 114.305 0.855 17775 3334 1 6 . 1 1 59 59 THR HA H 334 3.960 3.960 4.083 -0.123 17775 3335 1 6 . 1 1 59 59 THR C C 334 176.690 176.690 176.721 -0.031 17775 3336 1 6 . 1 1 59 59 THR CA C 334 66.430 66.430 66.332 0.098 17775 3337 1 6 . 1 1 59 59 THR CB C 334 68.720 68.720 68.342 0.378 17775 3338 1 6 . 1 1 59 59 THR H H 334 7.940 7.940 7.712 0.228 17775 3339 1 6 . 1 1 60 60 LEU N N 335 123.040 123.040 121.899 1.141 17775 3340 1 6 . 1 1 60 60 LEU HA H 335 4.070 4.070 3.978 0.092 17775 3341 1 6 . 1 1 60 60 LEU C C 335 180.040 180.040 178.988 1.052 17775 3342 1 6 . 1 1 60 60 LEU CA C 335 57.690 57.690 57.626 0.064 17775 3343 1 6 . 1 1 60 60 LEU CB C 335 41.810 41.810 41.473 0.337 17775 3344 1 6 . 1 1 60 60 LEU H H 335 7.860 7.860 7.756 0.104 17775 3345 1 6 . 1 1 61 61 LEU N N 336 121.600 121.600 120.446 1.154 17775 3346 1 6 . 1 1 61 61 LEU HA H 336 4.020 4.020 3.886 0.134 17775 3347 1 6 . 1 1 61 61 LEU C C 336 179.360 179.360 178.424 0.936 17775 3348 1 6 . 1 1 61 61 LEU CA C 336 57.900 57.900 58.251 -0.351 17775 3349 1 6 . 1 1 61 61 LEU CB C 336 41.970 41.970 41.851 0.119 17775 3350 1 6 . 1 1 61 61 LEU H H 336 8.180 8.180 7.994 0.186 17775 3351 1 6 . 1 1 62 62 MET N N 337 116.900 116.900 118.457 -1.557 17775 3352 1 6 . 1 1 62 62 MET HA H 337 4.110 4.110 3.847 0.263 17775 3353 1 6 . 1 1 62 62 MET C C 337 179.750 179.750 178.005 1.745 17775 3354 1 6 . 1 1 62 62 MET CA C 337 57.850 57.850 59.071 -1.221 17775 3355 1 6 . 1 1 62 62 MET CB C 337 32.200 32.200 32.452 -0.252 17775 3356 1 6 . 1 1 62 62 MET H H 337 8.160 8.160 7.700 0.460 17775 3357 1 6 . 1 1 63 63 ALA N N 338 122.990 122.990 120.196 2.794 17775 3358 1 6 . 1 1 63 63 ALA HA H 338 4.110 4.110 4.028 0.082 17775 3359 1 6 . 1 1 63 63 ALA C C 338 180.420 180.420 179.520 0.900 17775 3360 1 6 . 1 1 63 63 ALA CA C 338 55.270 55.270 55.209 0.061 17775 3361 1 6 . 1 1 63 63 ALA CB C 338 17.960 17.960 18.050 -0.091 17775 3362 1 6 . 1 1 63 63 ALA H H 338 8.090 8.090 7.863 0.227 17775 3363 1 6 . 1 1 64 64 GLY N N 339 106.980 106.980 107.036 -0.056 17775 3364 1 6 . 1 1 64 64 GLY C C 339 175.240 175.240 176.128 -0.888 17775 3365 1 6 . 1 1 64 64 GLY CA C 339 47.190 47.190 47.088 0.102 17775 3366 1 6 . 1 1 64 64 GLY H H 339 8.070 8.070 7.969 0.101 17775 3367 1 6 . 1 1 65 65 VAL N N 340 120.660 120.660 121.595 -0.935 17775 3368 1 6 . 1 1 65 65 VAL HA H 340 3.780 3.780 3.508 0.272 17775 3369 1 6 . 1 1 65 65 VAL C C 340 176.960 176.960 177.572 -0.612 17775 3370 1 6 . 1 1 65 65 VAL CA C 340 65.620 65.620 66.578 -0.958 17775 3371 1 6 . 1 1 65 65 VAL CB C 340 31.690 31.690 31.602 0.088 17775 3372 1 6 . 1 1 65 65 VAL H H 340 8.100 8.100 7.697 0.404 17775 3373 1 6 . 1 1 66 66 SER N N 341 112.150 112.150 114.439 -2.289 17775 3374 1 6 . 1 1 66 66 SER HA H 341 4.000 4.000 3.998 0.002 17775 3375 1 6 . 1 1 66 66 SER C C 341 175.860 175.860 176.473 -0.613 17775 3376 1 6 . 1 1 66 66 SER CA C 341 61.240 61.240 61.791 -0.551 17775 3377 1 6 . 1 1 66 66 SER CB C 341 63.260 63.260 63.108 0.152 17775 3378 1 6 . 1 1 66 66 SER H H 341 7.810 7.810 7.736 0.074 17775 3379 1 6 . 1 1 67 67 HIS N N 342 118.910 118.910 120.143 -1.233 17775 3380 1 6 . 1 1 67 67 HIS HA H 342 4.440 4.440 4.240 0.200 17775 3381 1 6 . 1 1 67 67 HIS C C 342 177.780 177.780 177.949 -0.169 17775 3382 1 6 . 1 1 67 67 HIS CA C 342 59.160 59.160 60.144 -0.984 17775 3383 1 6 . 1 1 67 67 HIS CB C 342 30.400 30.400 30.096 0.304 17775 3384 1 6 . 1 1 67 67 HIS H H 342 7.830 7.830 7.868 -0.038 17775 3385 1 6 . 1 1 68 68 ASP N N 343 120.590 120.590 120.066 0.524 17775 3386 1 6 . 1 1 68 68 ASP HA H 343 4.440 4.440 4.439 0.001 17775 3387 1 6 . 1 1 68 68 ASP C C 343 178.470 178.470 179.021 -0.551 17775 3388 1 6 . 1 1 68 68 ASP CA C 343 57.500 57.500 57.420 0.080 17775 3389 1 6 . 1 1 68 68 ASP CB C 343 39.880 39.880 40.433 -0.553 17775 3390 1 6 . 1 1 68 68 ASP H H 343 8.580 8.580 7.985 0.595 17775 3391 1 6 . 1 1 69 69 LEU N N 344 117.900 117.900 119.459 -1.559 17775 3392 1 6 . 1 1 69 69 LEU HA H 344 4.190 4.190 3.951 0.239 17775 3393 1 6 . 1 1 69 69 LEU C C 344 177.010 177.010 178.498 -1.488 17775 3394 1 6 . 1 1 69 69 LEU CA C 344 56.810 56.810 57.655 -0.845 17775 3395 1 6 . 1 1 69 69 LEU CB C 344 43.300 43.300 41.485 1.815 17775 3396 1 6 . 1 1 69 69 LEU H H 344 8.300 8.300 7.896 0.404 17775 3397 1 6 . 1 1 70 70 ARG N N 345 114.380 114.380 117.976 -3.596 17775 3398 1 6 . 1 1 70 70 ARG HA H 345 3.930 3.930 3.906 0.024 17775 3399 1 6 . 1 1 70 70 ARG C C 345 178.840 178.840 178.485 0.355 17775 3400 1 6 . 1 1 70 70 ARG CA C 345 59.420 59.420 59.897 -0.477 17775 3401 1 6 . 1 1 70 70 ARG CB C 345 30.210 30.210 29.863 0.347 17775 3402 1 6 . 1 1 70 70 ARG H H 345 7.280 7.280 7.796 -0.516 17775 3403 1 6 . 1 1 71 71 THR N N 346 115.370 115.370 115.708 -0.338 17775 3404 1 6 . 1 1 71 71 THR HA H 346 4.060 4.060 4.148 -0.088 17775 3405 1 6 . 1 1 71 71 THR CA C 346 68.800 68.800 68.512 0.288 17775 3406 1 6 . 1 1 71 71 THR CB C 346 66.590 66.590 66.978 -0.388 17775 3407 1 6 . 1 1 71 71 THR H H 346 7.540 7.540 7.608 -0.068 17775 3408 1 6 . 1 1 72 72 PRO HA H 347 4.090 4.090 4.281 -0.191 17775 3409 1 6 . 1 1 72 72 PRO CA C 347 65.860 65.860 65.703 0.157 17775 3410 1 6 . 1 1 72 72 PRO CB C 347 31.380 31.380 31.318 0.062 17775 3411 1 6 . 1 1 73 73 LEU N N 348 114.830 114.830 118.811 -3.981 17775 3412 1 6 . 1 1 73 73 LEU HA H 348 3.950 3.950 3.881 0.069 17775 3413 1 6 . 1 1 73 73 LEU C C 348 179.120 179.120 179.238 -0.118 17775 3414 1 6 . 1 1 73 73 LEU CA C 348 58.450 58.450 58.090 0.360 17775 3415 1 6 . 1 1 73 73 LEU CB C 348 41.320 41.320 41.576 -0.256 17775 3416 1 6 . 1 1 73 73 LEU H H 348 6.970 6.970 7.714 -0.744 17775 3417 1 6 . 1 1 74 74 THR N N 349 116.230 116.230 114.416 1.814 17775 3418 1 6 . 1 1 74 74 THR HA H 349 3.880 3.880 3.894 -0.014 17775 3419 1 6 . 1 1 74 74 THR C C 349 176.100 176.100 176.443 -0.343 17775 3420 1 6 . 1 1 74 74 THR CA C 349 66.760 66.760 66.923 -0.163 17775 3421 1 6 . 1 1 74 74 THR CB C 349 68.770 68.770 68.305 0.465 17775 3422 1 6 . 1 1 74 74 THR H H 349 8.090 8.090 7.913 0.177 17775 3423 1 6 . 1 1 75 75 ARG N N 350 121.190 121.190 122.161 -0.971 17775 3424 1 6 . 1 1 75 75 ARG HA H 350 3.970 3.970 4.023 -0.053 17775 3425 1 6 . 1 1 75 75 ARG C C 350 180.130 180.130 178.535 1.595 17775 3426 1 6 . 1 1 75 75 ARG CA C 350 61.030 61.030 59.554 1.476 17775 3427 1 6 . 1 1 75 75 ARG CB C 350 31.080 31.080 30.020 1.060 17775 3428 1 6 . 1 1 75 75 ARG H H 350 7.570 7.570 7.514 0.056 17775 3429 1 6 . 1 1 76 76 ILE N N 351 122.150 122.150 119.865 2.285 17775 3430 1 6 . 1 1 76 76 ILE HA H 351 3.700 3.700 3.624 0.076 17775 3431 1 6 . 1 1 76 76 ILE C C 351 177.070 177.070 177.670 -0.600 17775 3432 1 6 . 1 1 76 76 ILE CA C 351 65.560 65.560 65.169 0.391 17775 3433 1 6 . 1 1 76 76 ILE CB C 351 37.650 37.650 37.511 0.139 17775 3434 1 6 . 1 1 76 76 ILE H H 351 8.060 8.060 7.910 0.150 17775 3435 1 6 . 1 1 77 77 ARG N N 352 120.120 120.120 120.658 -0.538 17775 3436 1 6 . 1 1 77 77 ARG HA H 352 3.930 3.930 4.037 -0.107 17775 3437 1 6 . 1 1 77 77 ARG C C 352 179.580 179.580 178.945 0.635 17775 3438 1 6 . 1 1 77 77 ARG CA C 352 59.340 59.340 59.504 -0.164 17775 3439 1 6 . 1 1 77 77 ARG CB C 352 29.690 29.690 30.208 -0.518 17775 3440 1 6 . 1 1 77 77 ARG H H 352 7.700 7.700 7.669 0.031 17775 3441 1 6 . 1 1 78 78 LEU N N 353 119.970 119.970 119.395 0.575 17775 3442 1 6 . 1 1 78 78 LEU HA H 353 4.000 4.000 4.327 -0.327 17775 3443 1 6 . 1 1 78 78 LEU C C 353 179.600 179.600 178.965 0.635 17775 3444 1 6 . 1 1 78 78 LEU CA C 353 57.910 57.910 57.664 0.246 17775 3445 1 6 . 1 1 78 78 LEU CB C 353 41.430 41.430 42.020 -0.590 17775 3446 1 6 . 1 1 78 78 LEU H H 353 8.260 8.260 7.736 0.524 17775 3447 1 6 . 1 1 79 79 ALA N N 354 122.390 122.390 120.643 1.747 17775 3448 1 6 . 1 1 79 79 ALA HA H 354 4.070 4.070 4.064 0.006 17775 3449 1 6 . 1 1 79 79 ALA C C 354 180.620 180.620 179.356 1.264 17775 3450 1 6 . 1 1 79 79 ALA CA C 354 55.270 55.270 54.867 0.403 17775 3451 1 6 . 1 1 79 79 ALA CB C 354 18.030 18.030 18.625 -0.595 17775 3452 1 6 . 1 1 79 79 ALA H H 354 7.850 7.850 7.936 -0.086 17775 3453 1 6 . 1 1 80 80 THR N N 355 107.540 107.540 110.089 -2.549 17775 3454 1 6 . 1 1 80 80 THR HA H 355 3.990 3.990 4.067 -0.077 17775 3455 1 6 . 1 1 80 80 THR C C 355 177.250 177.250 175.827 1.423 17775 3456 1 6 . 1 1 80 80 THR CA C 355 64.970 64.970 65.014 -0.044 17775 3457 1 6 . 1 1 80 80 THR CB C 355 69.020 69.020 68.693 0.327 17775 3458 1 6 . 1 1 80 80 THR H H 355 7.930 7.930 8.064 -0.134 17775 3459 1 6 . 1 1 81 81 GLU N N 356 120.380 120.380 119.071 1.309 17775 3460 1 6 . 1 1 81 81 GLU HA H 356 4.090 4.090 4.233 -0.143 17775 3461 1 6 . 1 1 81 81 GLU C C 356 177.280 177.280 177.671 -0.391 17775 3462 1 6 . 1 1 81 81 GLU CA C 356 58.020 58.020 58.053 -0.033 17775 3463 1 6 . 1 1 81 81 GLU CB C 356 29.490 29.490 29.578 -0.088 17775 3464 1 6 . 1 1 81 81 GLU H H 356 7.380 7.380 7.436 -0.056 17775 3465 1 6 . 1 1 82 82 MET N N 357 115.510 115.510 116.737 -1.227 17775 3466 1 6 . 1 1 82 82 MET HA H 357 4.480 4.480 4.309 0.171 17775 3467 1 6 . 1 1 82 82 MET C C 357 176.140 176.140 176.843 -0.703 17775 3468 1 6 . 1 1 82 82 MET CA C 357 54.810 54.810 56.294 -1.484 17775 3469 1 6 . 1 1 82 82 MET CB C 357 32.660 32.660 33.405 -0.745 17775 3470 1 6 . 1 1 82 82 MET H H 357 7.480 7.480 7.263 0.217 17775 3471 1 6 . 1 1 83 83 MET N N 358 119.530 119.530 119.463 0.067 17775 3472 1 6 . 1 1 83 83 MET HA H 358 4.020 4.020 4.281 -0.261 17775 3473 1 6 . 1 1 83 83 MET C C 358 175.670 175.670 175.705 -0.035 17775 3474 1 6 . 1 1 83 83 MET CA C 358 57.430 57.430 55.903 1.528 17775 3475 1 6 . 1 1 83 83 MET CB C 358 33.860 33.860 33.136 0.724 17775 3476 1 6 . 1 1 83 83 MET H H 358 7.010 7.010 7.386 -0.376 17775 3477 1 6 . 1 1 84 84 SER N N 359 119.110 119.110 117.724 1.386 17775 3478 1 6 . 1 1 84 84 SER HA H 359 4.300 4.300 4.548 -0.248 17775 3479 1 6 . 1 1 84 84 SER C C 359 176.160 176.160 175.346 0.814 17775 3480 1 6 . 1 1 84 84 SER CA C 359 59.170 59.170 58.134 1.036 17775 3481 1 6 . 1 1 84 84 SER CB C 359 64.540 64.540 64.098 0.442 17775 3482 1 6 . 1 1 84 84 SER H H 359 9.630 9.630 8.253 1.377 17775 3483 1 6 . 1 1 85 85 GLU N N 360 124.090 124.090 120.819 3.271 17775 3484 1 6 . 1 1 85 85 GLU CA C 360 58.880 58.880 58.999 -0.119 17775 3485 1 6 . 1 1 85 85 GLU CB C 360 29.560 29.560 29.399 0.161 17775 3486 1 6 . 1 1 85 85 GLU H H 360 8.810 8.810 8.960 -0.150 17775 3487 1 6 . 1 1 86 86 GLN HA H 361 4.220 4.220 4.171 0.049 17775 3488 1 6 . 1 1 86 86 GLN C C 361 176.370 176.370 177.418 -1.048 17775 3489 1 6 . 1 1 86 86 GLN CA C 361 58.440 58.440 58.240 0.200 17775 3490 1 6 . 1 1 86 86 GLN CB C 361 28.290 28.290 28.641 -0.351 17775 3491 1 6 . 1 1 87 87 ASP N N 362 118.700 118.700 118.390 0.310 17775 3492 1 6 . 1 1 87 87 ASP HA H 362 5.070 5.070 4.850 0.220 17775 3493 1 6 . 1 1 87 87 ASP C C 362 176.740 176.740 176.757 -0.017 17775 3494 1 6 . 1 1 87 87 ASP CA C 362 53.710 53.710 53.308 0.402 17775 3495 1 6 . 1 1 87 87 ASP CB C 362 40.980 40.980 40.482 0.498 17775 3496 1 6 . 1 1 87 87 ASP H H 362 7.640 7.640 7.701 -0.061 17775 3497 1 6 . 1 1 88 88 GLY N N 363 110.410 110.410 108.965 1.445 17775 3498 1 6 . 1 1 88 88 GLY CA C 363 47.890 47.890 47.522 0.368 17775 3499 1 6 . 1 1 88 88 GLY H H 363 7.940 7.940 8.387 -0.447 17775 3500 1 6 . 1 1 89 89 TYR HA H 364 4.430 4.430 4.402 0.028 17775 3501 1 6 . 1 1 89 89 TYR C C 364 177.600 177.600 177.339 0.261 17775 3502 1 6 . 1 1 89 89 TYR CA C 364 59.970 59.970 58.916 1.054 17775 3503 1 6 . 1 1 89 89 TYR CB C 364 37.100 37.100 37.187 -0.087 17775 3504 1 6 . 1 1 89 89 TYR H H 364 8.470 8.470 8.348 0.122 17775 3505 1 6 . 1 1 90 90 LEU N N 365 124.000 124.000 119.655 4.345 17775 3506 1 6 . 1 1 90 90 LEU HA H 365 3.920 3.920 3.891 0.029 17775 3507 1 6 . 1 1 90 90 LEU C C 365 178.180 178.180 178.559 -0.379 17775 3508 1 6 . 1 1 90 90 LEU CA C 365 57.050 57.050 56.366 0.684 17775 3509 1 6 . 1 1 90 90 LEU CB C 365 41.930 41.930 41.431 0.499 17775 3510 1 6 . 1 1 90 90 LEU H H 365 7.080 7.080 6.761 0.319 17775 3511 1 6 . 1 1 91 91 ALA N N 366 123.150 123.150 122.495 0.655 17775 3512 1 6 . 1 1 91 91 ALA HA H 366 3.790 3.790 3.979 -0.189 17775 3513 1 6 . 1 1 91 91 ALA C C 366 179.610 179.610 179.594 0.016 17775 3514 1 6 . 1 1 91 91 ALA CA C 366 55.910 55.910 54.791 1.119 17775 3515 1 6 . 1 1 91 91 ALA CB C 366 18.450 18.450 18.338 0.112 17775 3516 1 6 . 1 1 91 91 ALA H H 366 7.880 7.880 7.688 0.192 17775 3517 1 6 . 1 1 92 92 GLU N N 367 116.750 116.750 118.540 -1.790 17775 3518 1 6 . 1 1 92 92 GLU HA H 367 4.010 4.010 4.149 -0.139 17775 3519 1 6 . 1 1 92 92 GLU C C 367 177.910 177.910 179.220 -1.310 17775 3520 1 6 . 1 1 92 92 GLU CA C 367 59.420 59.420 59.482 -0.062 17775 3521 1 6 . 1 1 92 92 GLU CB C 367 29.620 29.620 29.553 0.067 17775 3522 1 6 . 1 1 92 92 GLU H H 367 8.100 8.100 8.653 -0.553 17775 3523 1 6 . 1 1 93 93 SER N N 368 115.480 115.480 116.126 -0.646 17775 3524 1 6 . 1 1 93 93 SER HA H 368 4.060 4.060 4.174 -0.114 17775 3525 1 6 . 1 1 93 93 SER C C 368 176.360 176.360 176.498 -0.138 17775 3526 1 6 . 1 1 93 93 SER CA C 368 61.610 61.610 61.981 -0.371 17775 3527 1 6 . 1 1 93 93 SER CB C 368 63.080 63.080 62.904 0.176 17775 3528 1 6 . 1 1 93 93 SER H H 368 7.520 7.520 7.469 0.051 17775 3529 1 6 . 1 1 94 94 ILE N N 369 121.710 121.710 122.266 -0.556 17775 3530 1 6 . 1 1 94 94 ILE HA H 369 4.000 4.000 3.920 0.080 17775 3531 1 6 . 1 1 94 94 ILE C C 369 178.000 178.000 177.788 0.212 17775 3532 1 6 . 1 1 94 94 ILE CA C 369 65.470 65.470 64.842 0.628 17775 3533 1 6 . 1 1 94 94 ILE CB C 369 38.030 38.030 37.658 0.372 17775 3534 1 6 . 1 1 94 94 ILE H H 369 8.400 8.400 7.436 0.964 17775 3535 1 6 . 1 1 95 95 ASN N N 370 117.810 117.810 118.966 -1.156 17775 3536 1 6 . 1 1 95 95 ASN HA H 370 4.290 4.290 4.353 -0.063 17775 3537 1 6 . 1 1 95 95 ASN C C 370 179.730 179.730 177.491 2.239 17775 3538 1 6 . 1 1 95 95 ASN CA C 370 57.340 57.340 56.880 0.460 17775 3539 1 6 . 1 1 95 95 ASN CB C 370 38.280 38.280 38.290 -0.010 17775 3540 1 6 . 1 1 95 95 ASN H H 370 8.270 8.270 8.210 0.060 17775 3541 1 6 . 1 1 96 96 LYS N N 371 121.220 121.220 120.054 1.166 17775 3542 1 6 . 1 1 96 96 LYS HA H 371 4.090 4.090 3.965 0.125 17775 3543 1 6 . 1 1 96 96 LYS C C 371 179.250 179.250 178.560 0.690 17775 3544 1 6 . 1 1 96 96 LYS CA C 371 59.650 59.650 59.851 -0.201 17775 3545 1 6 . 1 1 96 96 LYS CB C 371 31.730 31.730 32.302 -0.572 17775 3546 1 6 . 1 1 96 96 LYS H H 371 7.960 7.960 7.822 0.138 17775 3547 1 6 . 1 1 97 97 ASP N N 372 122.870 122.870 120.147 2.723 17775 3548 1 6 . 1 1 97 97 ASP HA H 372 4.060 4.060 4.417 -0.357 17775 3549 1 6 . 1 1 97 97 ASP C C 372 179.300 179.300 178.721 0.579 17775 3550 1 6 . 1 1 97 97 ASP CA C 372 58.400 58.400 57.275 1.125 17775 3551 1 6 . 1 1 97 97 ASP CB C 372 41.130 41.130 40.458 0.673 17775 3552 1 6 . 1 1 97 97 ASP H H 372 7.920 7.920 7.723 0.197 17775 3553 1 6 . 1 1 98 98 ILE N N 373 123.090 123.090 120.072 3.018 17775 3554 1 6 . 1 1 98 98 ILE HA H 373 3.620 3.620 3.659 -0.039 17775 3555 1 6 . 1 1 98 98 ILE C C 373 178.330 178.330 177.636 0.694 17775 3556 1 6 . 1 1 98 98 ILE CA C 373 65.080 65.080 65.426 -0.346 17775 3557 1 6 . 1 1 98 98 ILE CB C 373 37.260 37.260 37.651 -0.391 17775 3558 1 6 . 1 1 98 98 ILE H H 373 8.720 8.720 7.699 1.021 17775 3559 1 6 . 1 1 99 99 GLU N N 374 120.550 120.550 120.589 -0.039 17775 3560 1 6 . 1 1 99 99 GLU HA H 374 4.120 4.120 3.897 0.223 17775 3561 1 6 . 1 1 99 99 GLU C C 374 179.740 179.740 178.968 0.772 17775 3562 1 6 . 1 1 99 99 GLU CA C 374 59.570 59.570 60.161 -0.591 17775 3563 1 6 . 1 1 99 99 GLU CB C 374 28.910 28.910 29.440 -0.530 17775 3564 1 6 . 1 1 99 99 GLU H H 374 8.100 8.100 7.903 0.197 17775 3565 1 6 . 1 1 100 100 GLU N N 375 122.040 122.040 119.170 2.870 17775 3566 1 6 . 1 1 100 100 GLU HA H 375 4.140 4.140 4.050 0.090 17775 3567 1 6 . 1 1 100 100 GLU C C 375 178.810 178.810 179.092 -0.282 17775 3568 1 6 . 1 1 100 100 GLU CA C 375 59.830 59.830 59.576 0.254 17775 3569 1 6 . 1 1 100 100 GLU CB C 375 29.220 29.220 29.376 -0.156 17775 3570 1 6 . 1 1 100 100 GLU H H 375 8.060 8.060 7.807 0.253 17775 3571 1 6 . 1 1 101 101 CYS N N 376 117.330 117.330 118.408 -1.078 17775 3572 1 6 . 1 1 101 101 CYS HA H 376 3.960 3.960 4.131 -0.171 17775 3573 1 6 . 1 1 101 101 CYS C C 376 176.540 176.540 176.975 -0.435 17775 3574 1 6 . 1 1 101 101 CYS CA C 376 64.510 64.510 63.642 0.868 17775 3575 1 6 . 1 1 101 101 CYS CB C 376 27.270 27.270 26.473 0.797 17775 3576 1 6 . 1 1 101 101 CYS H H 376 8.130 8.130 8.188 -0.058 17775 3577 1 6 . 1 1 102 102 ASN N N 377 117.140 117.140 118.237 -1.097 17775 3578 1 6 . 1 1 102 102 ASN HA H 377 4.290 4.290 4.413 -0.123 17775 3579 1 6 . 1 1 102 102 ASN C C 377 176.980 176.980 177.503 -0.523 17775 3580 1 6 . 1 1 102 102 ASN CA C 377 56.460 56.460 56.055 0.405 17775 3581 1 6 . 1 1 102 102 ASN CB C 377 38.440 38.440 37.690 0.750 17775 3582 1 6 . 1 1 102 102 ASN H H 377 8.430 8.430 8.018 0.412 17775 3583 1 6 . 1 1 103 103 ALA N N 378 123.350 123.350 123.719 -0.369 17775 3584 1 6 . 1 1 103 103 ALA HA H 378 4.130 4.130 4.087 0.043 17775 3585 1 6 . 1 1 103 103 ALA C C 378 180.510 180.510 179.574 0.936 17775 3586 1 6 . 1 1 103 103 ALA CA C 378 55.120 55.120 55.002 0.118 17775 3587 1 6 . 1 1 103 103 ALA CB C 378 17.960 17.960 18.595 -0.635 17775 3588 1 6 . 1 1 103 103 ALA H H 378 8.130 8.130 7.657 0.473 17775 3589 1 6 . 1 1 104 104 ILE N N 379 120.880 120.880 119.221 1.659 17775 3590 1 6 . 1 1 104 104 ILE HA H 379 3.680 3.680 3.615 0.065 17775 3591 1 6 . 1 1 104 104 ILE C C 379 178.260 178.260 178.109 0.151 17775 3592 1 6 . 1 1 104 104 ILE CA C 379 64.860 64.860 65.752 -0.892 17775 3593 1 6 . 1 1 104 104 ILE CB C 379 38.080 38.080 37.992 0.088 17775 3594 1 6 . 1 1 104 104 ILE H H 379 8.010 8.010 7.662 0.348 17775 3595 1 6 . 1 1 105 105 ILE N N 380 119.970 119.970 119.483 0.487 17775 3596 1 6 . 1 1 105 105 ILE HA H 380 3.430 3.430 3.702 -0.272 17775 3597 1 6 . 1 1 105 105 ILE C C 380 177.660 177.660 178.061 -0.401 17775 3598 1 6 . 1 1 105 105 ILE CA C 380 65.490 65.490 65.889 -0.400 17775 3599 1 6 . 1 1 105 105 ILE CB C 380 38.060 38.060 37.604 0.456 17775 3600 1 6 . 1 1 105 105 ILE H H 380 8.060 8.060 7.706 0.354 17775 3601 1 6 . 1 1 106 106 GLU N N 381 118.640 118.640 119.745 -1.105 17775 3602 1 6 . 1 1 106 106 GLU HA H 381 3.970 3.970 3.852 0.118 17775 3603 1 6 . 1 1 106 106 GLU C C 381 178.440 178.440 178.805 -0.365 17775 3604 1 6 . 1 1 106 106 GLU CA C 381 59.260 59.260 59.810 -0.550 17775 3605 1 6 . 1 1 106 106 GLU CB C 381 29.570 29.570 29.620 -0.050 17775 3606 1 6 . 1 1 106 106 GLU H H 381 8.140 8.140 8.215 -0.075 17775 3607 1 6 . 1 1 107 107 GLN N N 382 117.770 117.770 119.479 -1.709 17775 3608 1 6 . 1 1 107 107 GLN HA H 382 4.040 4.040 4.039 0.001 17775 3609 1 6 . 1 1 107 107 GLN C C 382 177.550 177.550 178.413 -0.863 17775 3610 1 6 . 1 1 107 107 GLN CA C 382 58.170 58.170 58.937 -0.767 17775 3611 1 6 . 1 1 107 107 GLN CB C 382 28.770 28.770 28.224 0.546 17775 3612 1 6 . 1 1 107 107 GLN H H 382 7.710 7.710 7.966 -0.256 17775 3613 1 6 . 1 1 108 108 PHE N N 383 118.750 118.750 118.866 -0.116 17775 3614 1 6 . 1 1 108 108 PHE HA H 383 4.490 4.490 4.220 0.270 17775 3615 1 6 . 1 1 108 108 PHE C C 383 176.570 176.570 178.080 -1.510 17775 3616 1 6 . 1 1 108 108 PHE CA C 383 59.360 59.360 62.488 -3.128 17775 3617 1 6 . 1 1 108 108 PHE CB C 383 38.760 38.760 38.856 -0.096 17775 3618 1 6 . 1 1 108 108 PHE H H 383 7.880 7.880 7.777 0.103 17775 3619 1 6 . 1 1 109 109 ILE N N 384 118.200 118.200 120.549 -2.349 17775 3620 1 6 . 1 1 109 109 ILE HA H 384 3.720 3.720 3.707 0.013 17775 3621 1 6 . 1 1 109 109 ILE C C 384 177.450 177.450 178.007 -0.557 17775 3622 1 6 . 1 1 109 109 ILE CA C 384 64.280 64.280 65.428 -1.148 17775 3623 1 6 . 1 1 109 109 ILE CB C 384 37.870 37.870 37.849 0.021 17775 3624 1 6 . 1 1 109 109 ILE H H 384 7.950 7.950 7.906 0.044 17775 3625 1 6 . 1 1 110 110 ASP N N 385 119.750 119.750 120.037 -0.287 17775 3626 1 6 . 1 1 110 110 ASP HA H 385 4.440 4.440 4.554 -0.114 17775 3627 1 6 . 1 1 110 110 ASP C C 385 177.620 177.620 178.187 -0.567 17775 3628 1 6 . 1 1 110 110 ASP CA C 385 56.500 56.500 56.937 -0.437 17775 3629 1 6 . 1 1 110 110 ASP CB C 385 40.860 40.860 40.937 -0.077 17775 3630 1 6 . 1 1 110 110 ASP H H 385 7.840 7.840 8.067 -0.227 17775 3631 1 6 . 1 1 111 111 TYR N N 386 118.370 118.370 118.759 -0.389 17775 3632 1 6 . 1 1 111 111 TYR HA H 386 4.430 4.430 4.237 0.193 17775 3633 1 6 . 1 1 111 111 TYR C C 386 176.320 176.320 177.001 -0.681 17775 3634 1 6 . 1 1 111 111 TYR CA C 386 58.940 58.940 60.807 -1.867 17775 3635 1 6 . 1 1 111 111 TYR CB C 386 38.440 38.440 38.872 -0.432 17775 3636 1 6 . 1 1 111 111 TYR H H 386 7.760 7.760 7.935 -0.175 17775 3637 1 6 . 1 1 112 112 LEU N N 387 119.730 119.730 119.641 0.089 17775 3638 1 6 . 1 1 112 112 LEU HA H 387 4.230 4.230 4.168 0.062 17775 3639 1 6 . 1 1 112 112 LEU C C 387 175.900 175.900 177.755 -1.855 17775 3640 1 6 . 1 1 112 112 LEU CA C 387 55.090 55.090 57.075 -1.985 17775 3641 1 6 . 1 1 112 112 LEU CB C 387 42.670 42.670 42.776 -0.106 17775 3642 1 6 . 1 1 112 112 LEU H H 387 7.660 7.660 7.811 -0.151 17775 3643 1 7 . 1 1 5 5 ILE HA H 280 4.190 4.190 3.725 0.465 17775 3644 1 7 . 1 1 5 5 ILE CA C 280 61.650 61.650 64.589 -2.939 17775 3645 1 7 . 1 1 5 5 ILE CB C 280 38.520 38.520 37.649 0.871 17775 3646 1 7 . 1 1 6 6 THR HA H 281 4.340 4.340 4.010 0.330 17775 3647 1 7 . 1 1 6 6 THR CA C 281 62.680 62.680 65.903 -3.223 17775 3648 1 7 . 1 1 6 6 THR CB C 281 69.630 69.630 68.235 1.395 17775 3649 1 7 . 1 1 8 8 PRO HA H 283 4.230 4.230 4.406 -0.176 17775 3650 1 7 . 1 1 8 8 PRO CA C 283 65.940 65.940 65.790 0.150 17775 3651 1 7 . 1 1 8 8 PRO CB C 283 30.730 30.730 30.810 -0.080 17775 3652 1 7 . 1 1 9 9 ILE N N 284 115.670 115.670 118.910 -3.240 17775 3653 1 7 . 1 1 9 9 ILE HA H 284 3.420 3.420 3.844 -0.424 17775 3654 1 7 . 1 1 9 9 ILE C C 284 177.820 177.820 178.371 -0.551 17775 3655 1 7 . 1 1 9 9 ILE CA C 284 65.540 65.540 63.813 1.727 17775 3656 1 7 . 1 1 9 9 ILE CB C 284 36.810 36.810 36.896 -0.086 17775 3657 1 7 . 1 1 9 9 ILE H H 284 7.300 7.300 7.184 0.116 17775 3658 1 7 . 1 1 10 10 ILE N N 285 121.880 121.880 120.949 0.931 17775 3659 1 7 . 1 1 10 10 ILE HA H 285 3.800 3.800 3.821 -0.021 17775 3660 1 7 . 1 1 10 10 ILE C C 285 177.690 177.690 179.034 -1.344 17775 3661 1 7 . 1 1 10 10 ILE CA C 285 62.880 62.880 63.285 -0.405 17775 3662 1 7 . 1 1 10 10 ILE CB C 285 36.560 36.560 36.389 0.171 17775 3663 1 7 . 1 1 10 10 ILE H H 285 7.880 7.880 7.846 0.034 17775 3664 1 7 . 1 1 11 11 GLU N N 286 120.580 120.580 120.384 0.196 17775 3665 1 7 . 1 1 11 11 GLU HA H 286 4.080 4.080 4.063 0.017 17775 3666 1 7 . 1 1 11 11 GLU C C 286 180.980 180.980 179.761 1.219 17775 3667 1 7 . 1 1 11 11 GLU CA C 286 59.630 59.630 59.745 -0.115 17775 3668 1 7 . 1 1 11 11 GLU CB C 286 29.550 29.550 29.671 -0.121 17775 3669 1 7 . 1 1 11 11 GLU H H 286 8.450 8.450 8.112 0.338 17775 3670 1 7 . 1 1 12 12 LEU N N 287 121.340 121.340 119.714 1.626 17775 3671 1 7 . 1 1 12 12 LEU HA H 287 4.010 4.010 4.066 -0.056 17775 3672 1 7 . 1 1 12 12 LEU C C 287 178.030 178.030 178.918 -0.888 17775 3673 1 7 . 1 1 12 12 LEU CA C 287 58.310 58.310 58.055 0.255 17775 3674 1 7 . 1 1 12 12 LEU CB C 287 42.050 42.050 41.964 0.086 17775 3675 1 7 . 1 1 12 12 LEU H H 287 8.490 8.490 8.218 0.272 17775 3676 1 7 . 1 1 13 13 SER N N 288 117.590 117.590 115.123 2.467 17775 3677 1 7 . 1 1 13 13 SER HA H 288 4.190 4.190 4.039 0.151 17775 3678 1 7 . 1 1 13 13 SER C C 288 175.660 175.660 176.641 -0.981 17775 3679 1 7 . 1 1 13 13 SER CA C 288 61.670 61.670 61.564 0.106 17775 3680 1 7 . 1 1 13 13 SER CB C 288 62.490 62.490 62.813 -0.323 17775 3681 1 7 . 1 1 13 13 SER H H 288 8.330 8.330 8.194 0.136 17775 3682 1 7 . 1 1 14 14 ASN N N 289 119.150 119.150 121.533 -2.383 17775 3683 1 7 . 1 1 14 14 ASN HA H 289 4.450 4.450 4.699 -0.249 17775 3684 1 7 . 1 1 14 14 ASN C C 289 178.480 178.480 177.862 0.618 17775 3685 1 7 . 1 1 14 14 ASN CA C 289 55.870 55.870 56.480 -0.610 17775 3686 1 7 . 1 1 14 14 ASN CB C 289 38.090 38.090 38.850 -0.760 17775 3687 1 7 . 1 1 14 14 ASN H H 289 8.650 8.650 8.288 0.362 17775 3688 1 7 . 1 1 15 15 THR N N 290 117.650 117.650 117.397 0.253 17775 3689 1 7 . 1 1 15 15 THR HA H 290 3.830 3.830 3.944 -0.114 17775 3690 1 7 . 1 1 15 15 THR C C 290 175.030 175.030 175.902 -0.872 17775 3691 1 7 . 1 1 15 15 THR CA C 290 67.790 67.790 67.171 0.619 17775 3692 1 7 . 1 1 15 15 THR CB C 290 68.660 68.660 68.732 -0.072 17775 3693 1 7 . 1 1 15 15 THR H H 290 8.040 8.040 8.081 -0.041 17775 3694 1 7 . 1 1 16 16 ALA N N 291 124.470 124.470 123.959 0.511 17775 3695 1 7 . 1 1 16 16 ALA HA H 291 3.850 3.850 3.911 -0.061 17775 3696 1 7 . 1 1 16 16 ALA C C 291 178.470 178.470 179.028 -0.558 17775 3697 1 7 . 1 1 16 16 ALA CA C 291 55.430 55.430 55.211 0.219 17775 3698 1 7 . 1 1 16 16 ALA CB C 291 17.820 17.820 18.185 -0.365 17775 3699 1 7 . 1 1 16 16 ALA H H 291 8.530 8.530 7.806 0.724 17775 3700 1 7 . 1 1 17 17 ASP N N 292 117.560 117.560 118.944 -1.384 17775 3701 1 7 . 1 1 17 17 ASP HA H 292 4.360 4.360 4.346 0.014 17775 3702 1 7 . 1 1 17 17 ASP C C 292 178.420 178.420 178.867 -0.447 17775 3703 1 7 . 1 1 17 17 ASP CA C 292 57.430 57.430 57.411 0.019 17775 3704 1 7 . 1 1 17 17 ASP CB C 292 40.130 40.130 40.301 -0.171 17775 3705 1 7 . 1 1 17 17 ASP H H 292 8.290 8.290 8.032 0.258 17775 3706 1 7 . 1 1 18 18 LYS N N 293 119.100 119.100 119.978 -0.878 17775 3707 1 7 . 1 1 18 18 LYS HA H 293 4.010 4.010 4.160 -0.150 17775 3708 1 7 . 1 1 18 18 LYS C C 293 180.170 180.170 179.089 1.081 17775 3709 1 7 . 1 1 18 18 LYS CA C 293 59.020 59.020 59.454 -0.434 17775 3710 1 7 . 1 1 18 18 LYS CB C 293 32.270 32.270 32.456 -0.186 17775 3711 1 7 . 1 1 18 18 LYS H H 293 7.690 7.690 7.566 0.124 17775 3712 1 7 . 1 1 19 19 ILE N N 294 122.510 122.510 119.815 2.695 17775 3713 1 7 . 1 1 19 19 ILE HA H 294 3.690 3.690 4.027 -0.337 17775 3714 1 7 . 1 1 19 19 ILE C C 294 178.920 178.920 178.723 0.197 17775 3715 1 7 . 1 1 19 19 ILE CA C 294 64.400 64.400 64.859 -0.459 17775 3716 1 7 . 1 1 19 19 ILE CB C 294 38.320 38.320 37.928 0.392 17775 3717 1 7 . 1 1 19 19 ILE H H 294 8.220 8.220 7.704 0.516 17775 3718 1 7 . 1 1 20 20 ALA N N 295 123.270 123.270 122.089 1.181 17775 3719 1 7 . 1 1 20 20 ALA HA H 295 3.850 3.850 4.076 -0.226 17775 3720 1 7 . 1 1 20 20 ALA C C 295 179.390 179.390 178.972 0.418 17775 3721 1 7 . 1 1 20 20 ALA CA C 295 55.370 55.370 54.827 0.543 17775 3722 1 7 . 1 1 20 20 ALA CB C 295 17.880 17.880 18.348 -0.468 17775 3723 1 7 . 1 1 20 20 ALA H H 295 8.580 8.580 7.860 0.720 17775 3724 1 7 . 1 1 21 21 GLU N N 296 115.530 115.530 116.400 -0.870 17775 3725 1 7 . 1 1 21 21 GLU HA H 296 4.160 4.160 4.181 -0.021 17775 3726 1 7 . 1 1 21 21 GLU C C 296 176.560 176.560 177.697 -1.137 17775 3727 1 7 . 1 1 21 21 GLU CA C 296 56.400 56.400 56.443 -0.043 17775 3728 1 7 . 1 1 21 21 GLU CB C 296 29.830 29.830 29.822 0.008 17775 3729 1 7 . 1 1 21 21 GLU H H 296 7.680 7.680 7.835 -0.155 17775 3730 1 7 . 1 1 22 22 GLY N N 297 105.910 105.910 107.745 -1.835 17775 3731 1 7 . 1 1 22 22 GLY C C 297 174.160 174.160 174.285 -0.125 17775 3732 1 7 . 1 1 22 22 GLY CA C 297 45.040 45.040 44.615 0.425 17775 3733 1 7 . 1 1 22 22 GLY H H 297 7.820 7.820 7.925 -0.105 17775 3734 1 7 . 1 1 23 23 ASN N N 298 120.260 120.260 121.144 -0.884 17775 3735 1 7 . 1 1 23 23 ASN HA H 298 4.960 4.960 5.005 -0.045 17775 3736 1 7 . 1 1 23 23 ASN C C 298 174.560 174.560 175.461 -0.901 17775 3737 1 7 . 1 1 23 23 ASN CA C 298 51.800 51.800 51.611 0.189 17775 3738 1 7 . 1 1 23 23 ASN CB C 298 36.750 36.750 37.490 -0.740 17775 3739 1 7 . 1 1 23 23 ASN H H 298 8.070 8.070 8.082 -0.012 17775 3740 1 7 . 1 1 24 24 LEU N N 299 119.750 119.750 122.136 -2.386 17775 3741 1 7 . 1 1 24 24 LEU HA H 299 3.950 3.950 4.046 -0.096 17775 3742 1 7 . 1 1 24 24 LEU C C 299 176.390 176.390 178.096 -1.706 17775 3743 1 7 . 1 1 24 24 LEU CA C 299 56.250 56.250 57.854 -1.604 17775 3744 1 7 . 1 1 24 24 LEU CB C 299 41.260 41.260 41.726 -0.466 17775 3745 1 7 . 1 1 24 24 LEU H H 299 7.850 7.850 7.531 0.319 17775 3746 1 7 . 1 1 25 25 GLU N N 300 114.210 114.210 117.852 -3.642 17775 3747 1 7 . 1 1 25 25 GLU HA H 300 4.230 4.230 4.235 -0.005 17775 3748 1 7 . 1 1 25 25 GLU C C 300 176.050 176.050 176.129 -0.079 17775 3749 1 7 . 1 1 25 25 GLU CA C 300 55.640 55.640 56.803 -1.163 17775 3750 1 7 . 1 1 25 25 GLU CB C 300 29.410 29.410 28.892 0.518 17775 3751 1 7 . 1 1 25 25 GLU H H 300 7.840 7.840 8.444 -0.604 17775 3752 1 7 . 1 1 26 26 ALA N N 301 124.010 124.010 124.770 -0.760 17775 3753 1 7 . 1 1 26 26 ALA HA H 301 3.880 3.880 4.126 -0.246 17775 3754 1 7 . 1 1 26 26 ALA C C 301 175.390 175.390 177.232 -1.842 17775 3755 1 7 . 1 1 26 26 ALA CA C 301 52.890 52.890 52.544 0.346 17775 3756 1 7 . 1 1 26 26 ALA CB C 301 18.570 18.570 18.959 -0.389 17775 3757 1 7 . 1 1 26 26 ALA H H 301 6.770 6.770 7.348 -0.578 17775 3758 1 7 . 1 1 27 27 GLU N N 302 120.120 120.120 124.124 -4.004 17775 3759 1 7 . 1 1 27 27 GLU HA H 302 4.080 4.080 4.251 -0.171 17775 3760 1 7 . 1 1 27 27 GLU C C 302 176.510 176.510 176.631 -0.121 17775 3761 1 7 . 1 1 27 27 GLU CA C 302 55.150 55.150 56.135 -0.985 17775 3762 1 7 . 1 1 27 27 GLU CB C 302 30.160 30.160 30.177 -0.017 17775 3763 1 7 . 1 1 27 27 GLU H H 302 7.880 7.880 8.327 -0.447 17775 3764 1 7 . 1 1 28 28 VAL N N 303 129.020 129.020 125.058 3.962 17775 3765 1 7 . 1 1 28 28 VAL HA H 303 4.230 4.230 4.158 0.072 17775 3766 1 7 . 1 1 28 28 VAL CA C 303 60.440 60.440 60.991 -0.551 17775 3767 1 7 . 1 1 28 28 VAL CB C 303 31.760 31.760 32.041 -0.281 17775 3768 1 7 . 1 1 28 28 VAL H H 303 8.890 8.890 8.128 0.762 17775 3769 1 7 . 1 1 29 29 PRO HA H 304 4.400 4.400 4.488 -0.088 17775 3770 1 7 . 1 1 29 29 PRO CA C 304 62.790 62.790 62.054 0.736 17775 3771 1 7 . 1 1 29 29 PRO CB C 304 32.120 32.120 32.661 -0.541 17775 3772 1 7 . 1 1 30 30 HIS N N 305 103.640 103.640 113.726 -10.086 17775 3773 1 7 . 1 1 30 30 HIS HA H 305 4.210 4.210 4.219 -0.009 17775 3774 1 7 . 1 1 30 30 HIS C C 305 175.590 175.590 176.666 -1.076 17775 3775 1 7 . 1 1 30 30 HIS CA C 305 57.950 57.950 57.343 0.607 17775 3776 1 7 . 1 1 30 30 HIS CB C 305 27.910 27.910 27.220 0.690 17775 3777 1 7 . 1 1 30 30 HIS H H 305 7.780 7.780 8.343 -0.563 17775 3778 1 7 . 1 1 31 31 GLN N N 306 114.840 114.840 118.261 -3.421 17775 3779 1 7 . 1 1 31 31 GLN HA H 306 3.990 3.990 4.136 -0.146 17775 3780 1 7 . 1 1 31 31 GLN C C 306 176.290 176.290 176.592 -0.302 17775 3781 1 7 . 1 1 31 31 GLN CA C 306 58.680 58.680 58.079 0.601 17775 3782 1 7 . 1 1 31 31 GLN CB C 306 30.630 30.630 28.717 1.913 17775 3783 1 7 . 1 1 31 31 GLN H H 306 8.010 8.010 8.694 -0.684 17775 3784 1 7 . 1 1 32 32 ASN N N 307 113.230 113.230 115.176 -1.946 17775 3785 1 7 . 1 1 32 32 ASN HA H 307 4.640 4.640 4.720 -0.080 17775 3786 1 7 . 1 1 32 32 ASN C C 307 175.610 175.610 175.693 -0.083 17775 3787 1 7 . 1 1 32 32 ASN CA C 307 52.800 52.800 53.336 -0.536 17775 3788 1 7 . 1 1 32 32 ASN CB C 307 37.630 37.630 38.289 -0.659 17775 3789 1 7 . 1 1 32 32 ASN H H 307 8.360 8.360 8.175 0.185 17775 3790 1 7 . 1 1 33 33 ARG N N 308 119.580 119.580 120.614 -1.034 17775 3791 1 7 . 1 1 33 33 ARG HA H 308 4.140 4.140 4.284 -0.144 17775 3792 1 7 . 1 1 33 33 ARG CA C 308 56.950 56.950 56.553 0.397 17775 3793 1 7 . 1 1 33 33 ARG CB C 308 33.030 33.030 31.014 2.016 17775 3794 1 7 . 1 1 33 33 ARG H H 308 7.160 7.160 7.381 -0.221 17775 3795 1 7 . 1 1 34 34 ALA HA H 309 4.530 4.530 4.294 0.236 17775 3796 1 7 . 1 1 34 34 ALA C C 309 176.610 176.610 177.050 -0.440 17775 3797 1 7 . 1 1 34 34 ALA CA C 309 51.650 51.650 52.617 -0.967 17775 3798 1 7 . 1 1 34 34 ALA CB C 309 18.830 18.830 19.224 -0.394 17775 3799 1 7 . 1 1 35 35 ASP N N 310 117.680 117.680 118.963 -1.283 17775 3800 1 7 . 1 1 35 35 ASP HA H 310 4.660 4.660 4.641 0.019 17775 3801 1 7 . 1 1 35 35 ASP C C 310 176.740 176.740 177.120 -0.380 17775 3802 1 7 . 1 1 35 35 ASP CA C 310 52.240 52.240 53.005 -0.765 17775 3803 1 7 . 1 1 35 35 ASP CB C 310 41.580 41.580 40.615 0.965 17775 3804 1 7 . 1 1 35 35 ASP H H 310 7.460 7.460 7.707 -0.247 17775 3805 1 7 . 1 1 36 36 GLU N N 311 118.110 118.110 117.385 0.725 17775 3806 1 7 . 1 1 36 36 GLU HA H 311 3.870 3.870 4.062 -0.192 17775 3807 1 7 . 1 1 36 36 GLU C C 311 177.440 177.440 178.475 -1.035 17775 3808 1 7 . 1 1 36 36 GLU CA C 311 60.460 60.460 59.830 0.630 17775 3809 1 7 . 1 1 36 36 GLU CB C 311 27.660 27.660 29.382 -1.722 17775 3810 1 7 . 1 1 36 36 GLU H H 311 9.910 9.910 8.646 1.264 17775 3811 1 7 . 1 1 37 37 ILE N N 312 118.790 118.790 119.378 -0.588 17775 3812 1 7 . 1 1 37 37 ILE HA H 312 3.570 3.570 3.876 -0.306 17775 3813 1 7 . 1 1 37 37 ILE C C 312 177.460 177.460 178.175 -0.715 17775 3814 1 7 . 1 1 37 37 ILE CA C 312 63.170 63.170 62.760 0.410 17775 3815 1 7 . 1 1 37 37 ILE CB C 312 35.770 35.770 36.611 -0.841 17775 3816 1 7 . 1 1 37 37 ILE H H 312 7.420 7.420 7.641 -0.221 17775 3817 1 7 . 1 1 38 38 GLY N N 313 108.320 108.320 109.283 -0.963 17775 3818 1 7 . 1 1 38 38 GLY C C 313 176.200 176.200 176.190 0.010 17775 3819 1 7 . 1 1 38 38 GLY CA C 313 47.090 47.090 47.362 -0.272 17775 3820 1 7 . 1 1 38 38 GLY H H 313 7.510 7.510 7.913 -0.403 17775 3821 1 7 . 1 1 39 39 ILE N N 314 121.890 121.890 122.560 -0.670 17775 3822 1 7 . 1 1 39 39 ILE HA H 314 3.630 3.630 3.689 -0.059 17775 3823 1 7 . 1 1 39 39 ILE C C 314 179.070 179.070 177.581 1.489 17775 3824 1 7 . 1 1 39 39 ILE CA C 314 64.750 64.750 65.019 -0.269 17775 3825 1 7 . 1 1 39 39 ILE CB C 314 37.610 37.610 37.970 -0.360 17775 3826 1 7 . 1 1 39 39 ILE H H 314 7.390 7.390 7.742 -0.352 17775 3827 1 7 . 1 1 40 40 LEU N N 315 121.370 121.370 121.464 -0.094 17775 3828 1 7 . 1 1 40 40 LEU HA H 315 4.120 4.120 4.070 0.050 17775 3829 1 7 . 1 1 40 40 LEU C C 315 178.560 178.560 178.206 0.354 17775 3830 1 7 . 1 1 40 40 LEU CA C 315 57.620 57.620 57.787 -0.167 17775 3831 1 7 . 1 1 40 40 LEU CB C 315 41.490 41.490 41.603 -0.113 17775 3832 1 7 . 1 1 40 40 LEU H H 315 7.770 7.770 7.816 -0.046 17775 3833 1 7 . 1 1 41 41 ALA N N 316 123.480 123.480 121.759 1.721 17775 3834 1 7 . 1 1 41 41 ALA HA H 316 3.840 3.840 3.951 -0.111 17775 3835 1 7 . 1 1 41 41 ALA C C 316 179.700 179.700 179.605 0.095 17775 3836 1 7 . 1 1 41 41 ALA CA C 316 56.180 56.180 55.447 0.734 17775 3837 1 7 . 1 1 41 41 ALA CB C 316 19.870 19.870 18.402 1.468 17775 3838 1 7 . 1 1 41 41 ALA H H 316 9.020 9.020 8.056 0.964 17775 3839 1 7 . 1 1 42 42 LYS N N 317 116.890 116.890 118.430 -1.540 17775 3840 1 7 . 1 1 42 42 LYS HA H 317 3.900 3.900 3.970 -0.070 17775 3841 1 7 . 1 1 42 42 LYS C C 317 179.730 179.730 179.171 0.559 17775 3842 1 7 . 1 1 42 42 LYS CA C 317 60.430 60.430 59.580 0.850 17775 3843 1 7 . 1 1 42 42 LYS H H 317 8.320 8.320 7.964 0.356 17775 3844 1 7 . 1 1 43 43 SER N N 318 119.130 119.130 115.695 3.435 17775 3845 1 7 . 1 1 43 43 SER HA H 318 4.340 4.340 4.206 0.134 17775 3846 1 7 . 1 1 43 43 SER C C 318 177.430 177.430 176.664 0.766 17775 3847 1 7 . 1 1 43 43 SER CA C 318 62.630 62.630 61.814 0.816 17775 3848 1 7 . 1 1 43 43 SER CB C 318 63.050 63.050 62.871 0.179 17775 3849 1 7 . 1 1 43 43 SER H H 318 8.060 8.060 7.933 0.127 17775 3850 1 7 . 1 1 44 44 ILE N N 319 124.020 124.020 122.820 1.200 17775 3851 1 7 . 1 1 44 44 ILE HA H 319 3.640 3.640 3.670 -0.030 17775 3852 1 7 . 1 1 44 44 ILE C C 319 177.190 177.190 177.905 -0.715 17775 3853 1 7 . 1 1 44 44 ILE CA C 319 65.020 65.020 65.159 -0.139 17775 3854 1 7 . 1 1 44 44 ILE CB C 319 36.790 36.790 37.642 -0.853 17775 3855 1 7 . 1 1 44 44 ILE H H 319 8.250 8.250 7.709 0.541 17775 3856 1 7 . 1 1 45 45 GLU N N 320 123.090 123.090 120.627 2.463 17775 3857 1 7 . 1 1 45 45 GLU HA H 320 4.600 4.600 3.953 0.647 17775 3858 1 7 . 1 1 45 45 GLU C C 320 178.190 178.190 178.684 -0.494 17775 3859 1 7 . 1 1 45 45 GLU CA C 320 58.430 58.430 59.426 -0.996 17775 3860 1 7 . 1 1 45 45 GLU CB C 320 27.700 27.700 29.201 -1.501 17775 3861 1 7 . 1 1 45 45 GLU H H 320 8.390 8.390 8.134 0.256 17775 3862 1 7 . 1 1 46 46 ARG N N 321 119.760 119.760 119.188 0.572 17775 3863 1 7 . 1 1 46 46 ARG HA H 321 3.930 3.930 4.053 -0.123 17775 3864 1 7 . 1 1 46 46 ARG C C 321 179.950 179.950 179.034 0.916 17775 3865 1 7 . 1 1 46 46 ARG CA C 321 60.440 60.440 59.404 1.036 17775 3866 1 7 . 1 1 46 46 ARG CB C 321 29.770 29.770 30.159 -0.389 17775 3867 1 7 . 1 1 46 46 ARG H H 321 8.000 8.000 7.850 0.150 17775 3868 1 7 . 1 1 47 47 LEU N N 322 121.360 121.360 119.736 1.624 17775 3869 1 7 . 1 1 47 47 LEU HA H 322 4.020 4.020 3.958 0.062 17775 3870 1 7 . 1 1 47 47 LEU C C 322 178.040 178.040 178.760 -0.720 17775 3871 1 7 . 1 1 47 47 LEU CA C 322 58.550 58.550 57.957 0.593 17775 3872 1 7 . 1 1 47 47 LEU CB C 322 41.650 41.650 41.486 0.164 17775 3873 1 7 . 1 1 47 47 LEU H H 322 7.870 7.870 7.917 -0.047 17775 3874 1 7 . 1 1 48 48 ARG N N 323 121.390 121.390 119.303 2.087 17775 3875 1 7 . 1 1 48 48 ARG HA H 323 3.690 3.690 3.929 -0.239 17775 3876 1 7 . 1 1 48 48 ARG C C 323 178.120 178.120 178.283 -0.163 17775 3877 1 7 . 1 1 48 48 ARG CA C 323 60.630 60.630 59.715 0.916 17775 3878 1 7 . 1 1 48 48 ARG CB C 323 30.230 30.230 29.980 0.250 17775 3879 1 7 . 1 1 48 48 ARG H H 323 8.730 8.730 7.921 0.809 17775 3880 1 7 . 1 1 49 49 ARG N N 324 116.720 116.720 118.707 -1.987 17775 3881 1 7 . 1 1 49 49 ARG HA H 324 3.840 3.840 4.005 -0.165 17775 3882 1 7 . 1 1 49 49 ARG C C 324 179.060 179.060 178.471 0.589 17775 3883 1 7 . 1 1 49 49 ARG CA C 324 59.930 59.930 59.926 0.004 17775 3884 1 7 . 1 1 49 49 ARG CB C 324 29.830 29.830 30.132 -0.302 17775 3885 1 7 . 1 1 49 49 ARG H H 324 8.550 8.550 8.167 0.383 17775 3886 1 7 . 1 1 50 50 SER N N 325 117.600 117.600 116.410 1.190 17775 3887 1 7 . 1 1 50 50 SER HA H 325 4.120 4.120 4.188 -0.068 17775 3888 1 7 . 1 1 50 50 SER C C 325 176.050 176.050 176.699 -0.649 17775 3889 1 7 . 1 1 50 50 SER CA C 325 62.630 62.630 62.649 -0.019 17775 3890 1 7 . 1 1 50 50 SER CB C 325 62.950 62.950 62.895 0.056 17775 3891 1 7 . 1 1 50 50 SER H H 325 8.170 8.170 7.840 0.330 17775 3892 1 7 . 1 1 51 51 LEU N N 326 123.730 123.730 122.153 1.577 17775 3893 1 7 . 1 1 51 51 LEU HA H 326 3.990 3.990 3.921 0.069 17775 3894 1 7 . 1 1 51 51 LEU C C 326 177.380 177.380 178.295 -0.915 17775 3895 1 7 . 1 1 51 51 LEU CA C 326 58.580 58.580 58.183 0.397 17775 3896 1 7 . 1 1 51 51 LEU CB C 326 42.190 42.190 41.756 0.434 17775 3897 1 7 . 1 1 51 51 LEU H H 326 8.190 8.190 7.784 0.406 17775 3898 1 7 . 1 1 52 52 LYS N N 327 119.170 119.170 119.314 -0.144 17775 3899 1 7 . 1 1 52 52 LYS HA H 327 3.860 3.860 3.866 -0.006 17775 3900 1 7 . 1 1 52 52 LYS C C 327 179.050 179.050 179.004 0.046 17775 3901 1 7 . 1 1 52 52 LYS CA C 327 59.700 59.700 59.773 -0.073 17775 3902 1 7 . 1 1 52 52 LYS CB C 327 32.020 32.020 32.334 -0.314 17775 3903 1 7 . 1 1 52 52 LYS H H 327 8.580 8.580 8.009 0.571 17775 3904 1 7 . 1 1 53 53 GLN N N 328 118.180 118.180 118.895 -0.715 17775 3905 1 7 . 1 1 53 53 GLN HA H 328 4.080 4.080 4.034 0.046 17775 3906 1 7 . 1 1 53 53 GLN C C 328 177.960 177.960 178.707 -0.747 17775 3907 1 7 . 1 1 53 53 GLN CA C 328 58.690 58.690 58.955 -0.265 17775 3908 1 7 . 1 1 53 53 GLN CB C 328 28.450 28.450 28.777 -0.327 17775 3909 1 7 . 1 1 53 53 GLN H H 328 8.080 8.080 7.916 0.164 17775 3910 1 7 . 1 1 54 54 LEU N N 329 118.740 118.740 120.074 -1.334 17775 3911 1 7 . 1 1 54 54 LEU HA H 329 4.150 4.150 4.047 0.103 17775 3912 1 7 . 1 1 54 54 LEU C C 329 179.580 179.580 179.013 0.567 17775 3913 1 7 . 1 1 54 54 LEU CA C 329 58.080 58.080 57.767 0.313 17775 3914 1 7 . 1 1 54 54 LEU CB C 329 42.620 42.620 41.798 0.822 17775 3915 1 7 . 1 1 54 54 LEU H H 329 7.680 7.680 8.086 -0.406 17775 3916 1 7 . 1 1 55 55 ALA N N 330 123.330 123.330 121.901 1.429 17775 3917 1 7 . 1 1 55 55 ALA HA H 330 4.050 4.050 3.916 0.134 17775 3918 1 7 . 1 1 55 55 ALA C C 330 180.530 180.530 179.507 1.023 17775 3919 1 7 . 1 1 55 55 ALA CA C 330 55.630 55.630 55.417 0.213 17775 3920 1 7 . 1 1 55 55 ALA CB C 330 18.320 18.320 18.028 0.292 17775 3921 1 7 . 1 1 55 55 ALA H H 330 8.390 8.390 7.924 0.466 17775 3922 1 7 . 1 1 56 56 ASP N N 331 121.350 121.350 118.920 2.430 17775 3923 1 7 . 1 1 56 56 ASP HA H 331 4.420 4.420 4.344 0.076 17775 3924 1 7 . 1 1 56 56 ASP C C 331 179.100 179.100 178.422 0.678 17775 3925 1 7 . 1 1 56 56 ASP CA C 331 57.430 57.430 57.652 -0.222 17775 3926 1 7 . 1 1 56 56 ASP CB C 331 39.630 39.630 40.221 -0.591 17775 3927 1 7 . 1 1 56 56 ASP H H 331 8.820 8.820 8.028 0.792 17775 3928 1 7 . 1 1 57 57 ASP N N 332 121.570 121.570 119.997 1.573 17775 3929 1 7 . 1 1 57 57 ASP HA H 332 4.490 4.490 4.352 0.138 17775 3930 1 7 . 1 1 57 57 ASP C C 332 179.080 179.080 178.545 0.535 17775 3931 1 7 . 1 1 57 57 ASP CA C 332 57.380 57.380 57.325 0.055 17775 3932 1 7 . 1 1 57 57 ASP CB C 332 40.440 40.440 40.621 -0.181 17775 3933 1 7 . 1 1 57 57 ASP H H 332 8.420 8.420 8.180 0.240 17775 3934 1 7 . 1 1 58 58 ARG N N 333 120.250 120.250 120.149 0.101 17775 3935 1 7 . 1 1 58 58 ARG HA H 333 3.940 3.940 3.997 -0.057 17775 3936 1 7 . 1 1 58 58 ARG C C 333 177.770 177.770 178.644 -0.874 17775 3937 1 7 . 1 1 58 58 ARG CA C 333 58.790 58.790 59.512 -0.722 17775 3938 1 7 . 1 1 58 58 ARG CB C 333 30.300 30.300 30.325 -0.025 17775 3939 1 7 . 1 1 58 58 ARG H H 333 7.900 7.900 7.782 0.118 17775 3940 1 7 . 1 1 59 59 THR N N 334 115.160 115.160 116.243 -1.083 17775 3941 1 7 . 1 1 59 59 THR HA H 334 3.960 3.960 4.086 -0.126 17775 3942 1 7 . 1 1 59 59 THR C C 334 176.690 176.690 176.664 0.026 17775 3943 1 7 . 1 1 59 59 THR CA C 334 66.430 66.430 67.055 -0.625 17775 3944 1 7 . 1 1 59 59 THR CB C 334 68.720 68.720 68.568 0.152 17775 3945 1 7 . 1 1 59 59 THR H H 334 7.940 7.940 7.702 0.238 17775 3946 1 7 . 1 1 60 60 LEU N N 335 123.040 123.040 121.594 1.446 17775 3947 1 7 . 1 1 60 60 LEU HA H 335 4.070 4.070 3.973 0.097 17775 3948 1 7 . 1 1 60 60 LEU C C 335 180.040 180.040 178.912 1.128 17775 3949 1 7 . 1 1 60 60 LEU CA C 335 57.690 57.690 57.698 -0.008 17775 3950 1 7 . 1 1 60 60 LEU CB C 335 41.810 41.810 41.589 0.221 17775 3951 1 7 . 1 1 60 60 LEU H H 335 7.860 7.860 7.889 -0.029 17775 3952 1 7 . 1 1 61 61 LEU N N 336 121.600 121.600 120.426 1.174 17775 3953 1 7 . 1 1 61 61 LEU HA H 336 4.020 4.020 3.886 0.134 17775 3954 1 7 . 1 1 61 61 LEU C C 336 179.360 179.360 178.456 0.904 17775 3955 1 7 . 1 1 61 61 LEU CA C 336 57.900 57.900 58.227 -0.327 17775 3956 1 7 . 1 1 61 61 LEU CB C 336 41.970 41.970 41.795 0.175 17775 3957 1 7 . 1 1 61 61 LEU H H 336 8.180 8.180 8.004 0.176 17775 3958 1 7 . 1 1 62 62 MET N N 337 116.900 116.900 118.422 -1.522 17775 3959 1 7 . 1 1 62 62 MET HA H 337 4.110 4.110 3.851 0.259 17775 3960 1 7 . 1 1 62 62 MET C C 337 179.750 179.750 177.975 1.775 17775 3961 1 7 . 1 1 62 62 MET CA C 337 57.850 57.850 59.090 -1.240 17775 3962 1 7 . 1 1 62 62 MET CB C 337 32.200 32.200 32.446 -0.246 17775 3963 1 7 . 1 1 62 62 MET H H 337 8.160 8.160 7.682 0.478 17775 3964 1 7 . 1 1 63 63 ALA N N 338 122.990 122.990 120.954 2.036 17775 3965 1 7 . 1 1 63 63 ALA HA H 338 4.110 4.110 4.084 0.026 17775 3966 1 7 . 1 1 63 63 ALA C C 338 180.420 180.420 179.673 0.747 17775 3967 1 7 . 1 1 63 63 ALA CA C 338 55.270 55.270 55.120 0.150 17775 3968 1 7 . 1 1 63 63 ALA CB C 338 17.960 17.960 18.238 -0.278 17775 3969 1 7 . 1 1 63 63 ALA H H 338 8.090 8.090 7.775 0.315 17775 3970 1 7 . 1 1 64 64 GLY N N 339 106.980 106.980 106.881 0.099 17775 3971 1 7 . 1 1 64 64 GLY C C 339 175.240 175.240 176.273 -1.033 17775 3972 1 7 . 1 1 64 64 GLY CA C 339 47.190 47.190 47.263 -0.073 17775 3973 1 7 . 1 1 64 64 GLY H H 339 8.070 8.070 7.997 0.073 17775 3974 1 7 . 1 1 65 65 VAL N N 340 120.660 120.660 122.164 -1.504 17775 3975 1 7 . 1 1 65 65 VAL HA H 340 3.780 3.780 3.629 0.151 17775 3976 1 7 . 1 1 65 65 VAL C C 340 176.960 176.960 178.085 -1.125 17775 3977 1 7 . 1 1 65 65 VAL CA C 340 65.620 65.620 66.055 -0.435 17775 3978 1 7 . 1 1 65 65 VAL CB C 340 31.690 31.690 31.035 0.655 17775 3979 1 7 . 1 1 65 65 VAL H H 340 8.100 8.100 7.728 0.372 17775 3980 1 7 . 1 1 66 66 SER N N 341 112.150 112.150 115.807 -3.657 17775 3981 1 7 . 1 1 66 66 SER HA H 341 4.000 4.000 3.999 0.001 17775 3982 1 7 . 1 1 66 66 SER C C 341 175.860 175.860 176.717 -0.857 17775 3983 1 7 . 1 1 66 66 SER CA C 341 61.240 61.240 62.117 -0.877 17775 3984 1 7 . 1 1 66 66 SER CB C 341 63.260 63.260 62.949 0.311 17775 3985 1 7 . 1 1 66 66 SER H H 341 7.810 7.810 7.949 -0.139 17775 3986 1 7 . 1 1 67 67 HIS N N 342 118.910 118.910 122.425 -3.515 17775 3987 1 7 . 1 1 67 67 HIS HA H 342 4.440 4.440 4.258 0.182 17775 3988 1 7 . 1 1 67 67 HIS C C 342 177.780 177.780 177.998 -0.218 17775 3989 1 7 . 1 1 67 67 HIS CA C 342 59.160 59.160 60.078 -0.918 17775 3990 1 7 . 1 1 67 67 HIS CB C 342 30.400 30.400 30.053 0.347 17775 3991 1 7 . 1 1 67 67 HIS H H 342 7.830 7.830 7.941 -0.111 17775 3992 1 7 . 1 1 68 68 ASP N N 343 120.590 120.590 120.262 0.328 17775 3993 1 7 . 1 1 68 68 ASP HA H 343 4.440 4.440 4.445 -0.005 17775 3994 1 7 . 1 1 68 68 ASP C C 343 178.470 178.470 179.023 -0.553 17775 3995 1 7 . 1 1 68 68 ASP CA C 343 57.500 57.500 57.465 0.035 17775 3996 1 7 . 1 1 68 68 ASP CB C 343 39.880 39.880 40.485 -0.605 17775 3997 1 7 . 1 1 68 68 ASP H H 343 8.580 8.580 8.005 0.575 17775 3998 1 7 . 1 1 69 69 LEU N N 344 117.900 117.900 119.729 -1.829 17775 3999 1 7 . 1 1 69 69 LEU HA H 344 4.190 4.190 3.965 0.225 17775 4000 1 7 . 1 1 69 69 LEU C C 344 177.010 177.010 178.474 -1.464 17775 4001 1 7 . 1 1 69 69 LEU CA C 344 56.810 56.810 57.339 -0.529 17775 4002 1 7 . 1 1 69 69 LEU CB C 344 43.300 43.300 41.634 1.666 17775 4003 1 7 . 1 1 69 69 LEU H H 344 8.300 8.300 7.947 0.353 17775 4004 1 7 . 1 1 70 70 ARG N N 345 114.380 114.380 118.614 -4.234 17775 4005 1 7 . 1 1 70 70 ARG HA H 345 3.930 3.930 3.974 -0.044 17775 4006 1 7 . 1 1 70 70 ARG C C 345 178.840 178.840 178.202 0.638 17775 4007 1 7 . 1 1 70 70 ARG CA C 345 59.420 59.420 59.114 0.306 17775 4008 1 7 . 1 1 70 70 ARG CB C 345 30.210 30.210 29.431 0.779 17775 4009 1 7 . 1 1 70 70 ARG H H 345 7.280 7.280 7.795 -0.515 17775 4010 1 7 . 1 1 71 71 THR N N 346 115.370 115.370 115.780 -0.410 17775 4011 1 7 . 1 1 71 71 THR HA H 346 4.060 4.060 4.188 -0.128 17775 4012 1 7 . 1 1 71 71 THR CA C 346 68.800 68.800 68.376 0.424 17775 4013 1 7 . 1 1 71 71 THR CB C 346 66.590 66.590 66.398 0.192 17775 4014 1 7 . 1 1 71 71 THR H H 346 7.540 7.540 7.616 -0.076 17775 4015 1 7 . 1 1 72 72 PRO HA H 347 4.090 4.090 4.293 -0.203 17775 4016 1 7 . 1 1 72 72 PRO CA C 347 65.860 65.860 65.695 0.165 17775 4017 1 7 . 1 1 72 72 PRO CB C 347 31.380 31.380 31.251 0.129 17775 4018 1 7 . 1 1 73 73 LEU N N 348 114.830 114.830 118.858 -4.028 17775 4019 1 7 . 1 1 73 73 LEU HA H 348 3.950 3.950 3.911 0.039 17775 4020 1 7 . 1 1 73 73 LEU C C 348 179.120 179.120 179.178 -0.058 17775 4021 1 7 . 1 1 73 73 LEU CA C 348 58.450 58.450 58.135 0.315 17775 4022 1 7 . 1 1 73 73 LEU CB C 348 41.320 41.320 41.572 -0.252 17775 4023 1 7 . 1 1 73 73 LEU H H 348 6.970 6.970 7.701 -0.731 17775 4024 1 7 . 1 1 74 74 THR N N 349 116.230 116.230 115.166 1.064 17775 4025 1 7 . 1 1 74 74 THR HA H 349 3.880 3.880 3.880 0.000 17775 4026 1 7 . 1 1 74 74 THR C C 349 176.100 176.100 176.811 -0.711 17775 4027 1 7 . 1 1 74 74 THR CA C 349 66.760 66.760 66.964 -0.204 17775 4028 1 7 . 1 1 74 74 THR CB C 349 68.770 68.770 68.432 0.338 17775 4029 1 7 . 1 1 74 74 THR H H 349 8.090 8.090 7.923 0.167 17775 4030 1 7 . 1 1 75 75 ARG N N 350 121.190 121.190 121.470 -0.280 17775 4031 1 7 . 1 1 75 75 ARG HA H 350 3.970 3.970 3.998 -0.028 17775 4032 1 7 . 1 1 75 75 ARG C C 350 180.130 180.130 178.778 1.352 17775 4033 1 7 . 1 1 75 75 ARG CA C 350 61.030 61.030 59.719 1.311 17775 4034 1 7 . 1 1 75 75 ARG CB C 350 31.080 31.080 30.075 1.005 17775 4035 1 7 . 1 1 75 75 ARG H H 350 7.570 7.570 7.630 -0.060 17775 4036 1 7 . 1 1 76 76 ILE N N 351 122.150 122.150 119.879 2.271 17775 4037 1 7 . 1 1 76 76 ILE HA H 351 3.700 3.700 3.645 0.055 17775 4038 1 7 . 1 1 76 76 ILE C C 351 177.070 177.070 177.671 -0.601 17775 4039 1 7 . 1 1 76 76 ILE CA C 351 65.560 65.560 65.218 0.342 17775 4040 1 7 . 1 1 76 76 ILE CB C 351 37.650 37.650 37.534 0.116 17775 4041 1 7 . 1 1 76 76 ILE H H 351 8.060 8.060 7.832 0.228 17775 4042 1 7 . 1 1 77 77 ARG N N 352 120.120 120.120 120.576 -0.456 17775 4043 1 7 . 1 1 77 77 ARG HA H 352 3.930 3.930 4.013 -0.084 17775 4044 1 7 . 1 1 77 77 ARG C C 352 179.580 179.580 178.928 0.652 17775 4045 1 7 . 1 1 77 77 ARG CA C 352 59.340 59.340 59.484 -0.144 17775 4046 1 7 . 1 1 77 77 ARG CB C 352 29.690 29.690 30.219 -0.529 17775 4047 1 7 . 1 1 77 77 ARG H H 352 7.700 7.700 7.687 0.013 17775 4048 1 7 . 1 1 78 78 LEU N N 353 119.970 119.970 118.901 1.069 17775 4049 1 7 . 1 1 78 78 LEU HA H 353 4.000 4.000 4.204 -0.204 17775 4050 1 7 . 1 1 78 78 LEU C C 353 179.600 179.600 179.130 0.470 17775 4051 1 7 . 1 1 78 78 LEU CA C 353 57.910 57.910 57.361 0.549 17775 4052 1 7 . 1 1 78 78 LEU CB C 353 41.430 41.430 41.214 0.216 17775 4053 1 7 . 1 1 78 78 LEU H H 353 8.260 8.260 7.840 0.420 17775 4054 1 7 . 1 1 79 79 ALA N N 354 122.390 122.390 120.932 1.458 17775 4055 1 7 . 1 1 79 79 ALA HA H 354 4.070 4.070 4.021 0.049 17775 4056 1 7 . 1 1 79 79 ALA C C 354 180.620 180.620 179.999 0.621 17775 4057 1 7 . 1 1 79 79 ALA CA C 354 55.270 55.270 54.923 0.347 17775 4058 1 7 . 1 1 79 79 ALA CB C 354 18.030 18.030 18.618 -0.588 17775 4059 1 7 . 1 1 79 79 ALA H H 354 7.850 7.850 7.821 0.029 17775 4060 1 7 . 1 1 80 80 THR N N 355 107.540 107.540 110.896 -3.356 17775 4061 1 7 . 1 1 80 80 THR HA H 355 3.990 3.990 4.003 -0.013 17775 4062 1 7 . 1 1 80 80 THR C C 355 177.250 177.250 176.943 0.307 17775 4063 1 7 . 1 1 80 80 THR CA C 355 64.970 64.970 65.046 -0.076 17775 4064 1 7 . 1 1 80 80 THR CB C 355 69.020 69.020 68.696 0.324 17775 4065 1 7 . 1 1 80 80 THR H H 355 7.930 7.930 8.165 -0.235 17775 4066 1 7 . 1 1 81 81 GLU N N 356 120.380 120.380 120.163 0.217 17775 4067 1 7 . 1 1 81 81 GLU HA H 356 4.090 4.090 4.185 -0.095 17775 4068 1 7 . 1 1 81 81 GLU C C 356 177.280 177.280 177.537 -0.257 17775 4069 1 7 . 1 1 81 81 GLU CA C 356 58.020 58.020 58.122 -0.102 17775 4070 1 7 . 1 1 81 81 GLU CB C 356 29.490 29.490 29.192 0.298 17775 4071 1 7 . 1 1 81 81 GLU H H 356 7.380 7.380 7.728 -0.348 17775 4072 1 7 . 1 1 82 82 MET N N 357 115.510 115.510 116.342 -0.832 17775 4073 1 7 . 1 1 82 82 MET HA H 357 4.480 4.480 4.311 0.169 17775 4074 1 7 . 1 1 82 82 MET C C 357 176.140 176.140 176.540 -0.400 17775 4075 1 7 . 1 1 82 82 MET CA C 357 54.810 54.810 55.808 -0.998 17775 4076 1 7 . 1 1 82 82 MET CB C 357 32.660 32.660 33.407 -0.747 17775 4077 1 7 . 1 1 82 82 MET H H 357 7.480 7.480 7.396 0.084 17775 4078 1 7 . 1 1 83 83 MET N N 358 119.530 119.530 119.260 0.270 17775 4079 1 7 . 1 1 83 83 MET HA H 358 4.020 4.020 4.271 -0.251 17775 4080 1 7 . 1 1 83 83 MET C C 358 175.670 175.670 175.753 -0.083 17775 4081 1 7 . 1 1 83 83 MET CA C 358 57.430 57.430 56.022 1.409 17775 4082 1 7 . 1 1 83 83 MET CB C 358 33.860 33.860 33.033 0.827 17775 4083 1 7 . 1 1 83 83 MET H H 358 7.010 7.010 7.351 -0.341 17775 4084 1 7 . 1 1 84 84 SER N N 359 119.110 119.110 117.969 1.141 17775 4085 1 7 . 1 1 84 84 SER HA H 359 4.300 4.300 4.619 -0.319 17775 4086 1 7 . 1 1 84 84 SER C C 359 176.160 176.160 175.530 0.630 17775 4087 1 7 . 1 1 84 84 SER CA C 359 59.170 59.170 57.431 1.739 17775 4088 1 7 . 1 1 84 84 SER CB C 359 64.540 64.540 64.291 0.249 17775 4089 1 7 . 1 1 84 84 SER H H 359 9.630 9.630 8.136 1.494 17775 4090 1 7 . 1 1 85 85 GLU N N 360 124.090 124.090 120.926 3.164 17775 4091 1 7 . 1 1 85 85 GLU CA C 360 58.880 58.880 59.454 -0.574 17775 4092 1 7 . 1 1 85 85 GLU CB C 360 29.560 29.560 29.238 0.322 17775 4093 1 7 . 1 1 85 85 GLU H H 360 8.810 8.810 8.990 -0.180 17775 4094 1 7 . 1 1 86 86 GLN HA H 361 4.220 4.220 4.192 0.028 17775 4095 1 7 . 1 1 86 86 GLN C C 361 176.370 176.370 177.215 -0.845 17775 4096 1 7 . 1 1 86 86 GLN CA C 361 58.440 58.440 58.213 0.227 17775 4097 1 7 . 1 1 86 86 GLN CB C 361 28.290 28.290 28.356 -0.066 17775 4098 1 7 . 1 1 87 87 ASP N N 362 118.700 118.700 118.502 0.198 17775 4099 1 7 . 1 1 87 87 ASP HA H 362 5.070 5.070 4.579 0.491 17775 4100 1 7 . 1 1 87 87 ASP C C 362 176.740 176.740 176.514 0.226 17775 4101 1 7 . 1 1 87 87 ASP CA C 362 53.710 53.710 53.267 0.442 17775 4102 1 7 . 1 1 87 87 ASP CB C 362 40.980 40.980 40.784 0.196 17775 4103 1 7 . 1 1 87 87 ASP H H 362 7.640 7.640 7.562 0.078 17775 4104 1 7 . 1 1 88 88 GLY N N 363 110.410 110.410 109.029 1.381 17775 4105 1 7 . 1 1 88 88 GLY CA C 363 47.890 47.890 47.423 0.467 17775 4106 1 7 . 1 1 88 88 GLY H H 363 7.940 7.940 8.076 -0.136 17775 4107 1 7 . 1 1 89 89 TYR HA H 364 4.430 4.430 4.449 -0.019 17775 4108 1 7 . 1 1 89 89 TYR C C 364 177.600 177.600 177.453 0.147 17775 4109 1 7 . 1 1 89 89 TYR CA C 364 59.970 59.970 58.788 1.182 17775 4110 1 7 . 1 1 89 89 TYR CB C 364 37.100 37.100 37.033 0.067 17775 4111 1 7 . 1 1 89 89 TYR H H 364 8.470 8.470 8.220 0.250 17775 4112 1 7 . 1 1 90 90 LEU N N 365 124.000 124.000 119.177 4.823 17775 4113 1 7 . 1 1 90 90 LEU HA H 365 3.920 3.920 4.088 -0.168 17775 4114 1 7 . 1 1 90 90 LEU C C 365 178.180 178.180 178.675 -0.495 17775 4115 1 7 . 1 1 90 90 LEU CA C 365 57.050 57.050 56.171 0.879 17775 4116 1 7 . 1 1 90 90 LEU CB C 365 41.930 41.930 41.611 0.319 17775 4117 1 7 . 1 1 90 90 LEU H H 365 7.080 7.080 6.862 0.218 17775 4118 1 7 . 1 1 91 91 ALA N N 366 123.150 123.150 122.646 0.504 17775 4119 1 7 . 1 1 91 91 ALA HA H 366 3.790 3.790 3.983 -0.193 17775 4120 1 7 . 1 1 91 91 ALA C C 366 179.610 179.610 179.578 0.032 17775 4121 1 7 . 1 1 91 91 ALA CA C 366 55.910 55.910 54.755 1.155 17775 4122 1 7 . 1 1 91 91 ALA CB C 366 18.450 18.450 18.283 0.167 17775 4123 1 7 . 1 1 91 91 ALA H H 366 7.880 7.880 7.431 0.449 17775 4124 1 7 . 1 1 92 92 GLU N N 367 116.750 116.750 118.159 -1.409 17775 4125 1 7 . 1 1 92 92 GLU HA H 367 4.010 4.010 3.951 0.059 17775 4126 1 7 . 1 1 92 92 GLU C C 367 177.910 177.910 179.057 -1.147 17775 4127 1 7 . 1 1 92 92 GLU CA C 367 59.420 59.420 59.550 -0.130 17775 4128 1 7 . 1 1 92 92 GLU CB C 367 29.620 29.620 29.372 0.248 17775 4129 1 7 . 1 1 92 92 GLU H H 367 8.100 8.100 8.322 -0.222 17775 4130 1 7 . 1 1 93 93 SER N N 368 115.480 115.480 115.189 0.291 17775 4131 1 7 . 1 1 93 93 SER HA H 368 4.060 4.060 4.201 -0.141 17775 4132 1 7 . 1 1 93 93 SER C C 368 176.360 176.360 176.338 0.022 17775 4133 1 7 . 1 1 93 93 SER CA C 368 61.610 61.610 62.144 -0.534 17775 4134 1 7 . 1 1 93 93 SER CB C 368 63.080 63.080 62.984 0.096 17775 4135 1 7 . 1 1 93 93 SER H H 368 7.520 7.520 7.500 0.020 17775 4136 1 7 . 1 1 94 94 ILE N N 369 121.710 121.710 122.423 -0.713 17775 4137 1 7 . 1 1 94 94 ILE HA H 369 4.000 4.000 3.997 0.003 17775 4138 1 7 . 1 1 94 94 ILE C C 369 178.000 178.000 177.915 0.085 17775 4139 1 7 . 1 1 94 94 ILE CA C 369 65.470 65.470 64.603 0.867 17775 4140 1 7 . 1 1 94 94 ILE CB C 369 38.030 38.030 37.557 0.473 17775 4141 1 7 . 1 1 94 94 ILE H H 369 8.400 8.400 7.419 0.981 17775 4142 1 7 . 1 1 95 95 ASN N N 370 117.810 117.810 118.600 -0.790 17775 4143 1 7 . 1 1 95 95 ASN HA H 370 4.290 4.290 4.385 -0.095 17775 4144 1 7 . 1 1 95 95 ASN C C 370 179.730 179.730 177.194 2.536 17775 4145 1 7 . 1 1 95 95 ASN CA C 370 57.340 57.340 56.962 0.378 17775 4146 1 7 . 1 1 95 95 ASN CB C 370 38.280 38.280 38.090 0.190 17775 4147 1 7 . 1 1 95 95 ASN H H 370 8.270 8.270 8.182 0.088 17775 4148 1 7 . 1 1 96 96 LYS N N 371 121.220 121.220 120.652 0.568 17775 4149 1 7 . 1 1 96 96 LYS HA H 371 4.090 4.090 4.153 -0.063 17775 4150 1 7 . 1 1 96 96 LYS C C 371 179.250 179.250 178.364 0.886 17775 4151 1 7 . 1 1 96 96 LYS CA C 371 59.650 59.650 59.364 0.286 17775 4152 1 7 . 1 1 96 96 LYS CB C 371 31.730 31.730 32.308 -0.578 17775 4153 1 7 . 1 1 96 96 LYS H H 371 7.960 7.960 7.832 0.128 17775 4154 1 7 . 1 1 97 97 ASP N N 372 122.870 122.870 119.551 3.319 17775 4155 1 7 . 1 1 97 97 ASP HA H 372 4.060 4.060 4.410 -0.350 17775 4156 1 7 . 1 1 97 97 ASP C C 372 179.300 179.300 178.832 0.468 17775 4157 1 7 . 1 1 97 97 ASP CA C 372 58.400 58.400 57.523 0.877 17775 4158 1 7 . 1 1 97 97 ASP CB C 372 41.130 41.130 40.655 0.475 17775 4159 1 7 . 1 1 97 97 ASP H H 372 7.920 7.920 7.701 0.219 17775 4160 1 7 . 1 1 98 98 ILE N N 373 123.090 123.090 116.622 6.468 17775 4161 1 7 . 1 1 98 98 ILE HA H 373 3.620 3.620 3.723 -0.103 17775 4162 1 7 . 1 1 98 98 ILE C C 373 178.330 178.330 177.821 0.509 17775 4163 1 7 . 1 1 98 98 ILE CA C 373 65.080 65.080 65.011 0.069 17775 4164 1 7 . 1 1 98 98 ILE CB C 373 37.260 37.260 37.401 -0.141 17775 4165 1 7 . 1 1 98 98 ILE H H 373 8.720 8.720 7.733 0.987 17775 4166 1 7 . 1 1 99 99 GLU N N 374 120.550 120.550 120.503 0.047 17775 4167 1 7 . 1 1 99 99 GLU HA H 374 4.120 4.120 3.928 0.192 17775 4168 1 7 . 1 1 99 99 GLU C C 374 179.740 179.740 178.876 0.864 17775 4169 1 7 . 1 1 99 99 GLU CA C 374 59.570 59.570 59.679 -0.109 17775 4170 1 7 . 1 1 99 99 GLU CB C 374 28.910 28.910 29.165 -0.255 17775 4171 1 7 . 1 1 99 99 GLU H H 374 8.100 8.100 8.027 0.073 17775 4172 1 7 . 1 1 100 100 GLU N N 375 122.040 122.040 120.273 1.767 17775 4173 1 7 . 1 1 100 100 GLU HA H 375 4.140 4.140 4.048 0.092 17775 4174 1 7 . 1 1 100 100 GLU C C 375 178.810 178.810 178.883 -0.073 17775 4175 1 7 . 1 1 100 100 GLU CA C 375 59.830 59.830 59.291 0.539 17775 4176 1 7 . 1 1 100 100 GLU CB C 375 29.220 29.220 29.678 -0.459 17775 4177 1 7 . 1 1 100 100 GLU H H 375 8.060 8.060 7.908 0.152 17775 4178 1 7 . 1 1 101 101 CYS N N 376 117.330 117.330 117.357 -0.027 17775 4179 1 7 . 1 1 101 101 CYS HA H 376 3.960 3.960 4.045 -0.085 17775 4180 1 7 . 1 1 101 101 CYS C C 376 176.540 176.540 176.747 -0.207 17775 4181 1 7 . 1 1 101 101 CYS CA C 376 64.510 64.510 64.538 -0.028 17775 4182 1 7 . 1 1 101 101 CYS CB C 376 27.270 27.270 27.323 -0.053 17775 4183 1 7 . 1 1 101 101 CYS H H 376 8.130 8.130 8.019 0.111 17775 4184 1 7 . 1 1 102 102 ASN N N 377 117.140 117.140 118.384 -1.244 17775 4185 1 7 . 1 1 102 102 ASN HA H 377 4.290 4.290 4.387 -0.097 17775 4186 1 7 . 1 1 102 102 ASN C C 377 176.980 176.980 177.243 -0.263 17775 4187 1 7 . 1 1 102 102 ASN CA C 377 56.460 56.460 56.502 -0.042 17775 4188 1 7 . 1 1 102 102 ASN CB C 377 38.440 38.440 38.653 -0.213 17775 4189 1 7 . 1 1 102 102 ASN H H 377 8.430 8.430 7.884 0.546 17775 4190 1 7 . 1 1 103 103 ALA N N 378 123.350 123.350 122.891 0.459 17775 4191 1 7 . 1 1 103 103 ALA HA H 378 4.130 4.130 4.063 0.067 17775 4192 1 7 . 1 1 103 103 ALA C C 378 180.510 180.510 179.831 0.679 17775 4193 1 7 . 1 1 103 103 ALA CA C 378 55.120 55.120 55.125 -0.005 17775 4194 1 7 . 1 1 103 103 ALA CB C 378 17.960 17.960 18.348 -0.388 17775 4195 1 7 . 1 1 103 103 ALA H H 378 8.130 8.130 7.819 0.311 17775 4196 1 7 . 1 1 104 104 ILE N N 379 120.880 120.880 119.044 1.836 17775 4197 1 7 . 1 1 104 104 ILE HA H 379 3.680 3.680 3.621 0.059 17775 4198 1 7 . 1 1 104 104 ILE C C 379 178.260 178.260 178.115 0.145 17775 4199 1 7 . 1 1 104 104 ILE CA C 379 64.860 64.860 65.617 -0.757 17775 4200 1 7 . 1 1 104 104 ILE CB C 379 38.080 38.080 37.951 0.129 17775 4201 1 7 . 1 1 104 104 ILE H H 379 8.010 8.010 7.632 0.378 17775 4202 1 7 . 1 1 105 105 ILE N N 380 119.970 119.970 119.870 0.100 17775 4203 1 7 . 1 1 105 105 ILE HA H 380 3.430 3.430 3.727 -0.297 17775 4204 1 7 . 1 1 105 105 ILE C C 380 177.660 177.660 178.138 -0.478 17775 4205 1 7 . 1 1 105 105 ILE CA C 380 65.490 65.490 65.837 -0.347 17775 4206 1 7 . 1 1 105 105 ILE CB C 380 38.060 38.060 37.498 0.562 17775 4207 1 7 . 1 1 105 105 ILE H H 380 8.060 8.060 7.759 0.301 17775 4208 1 7 . 1 1 106 106 GLU N N 381 118.640 118.640 119.808 -1.168 17775 4209 1 7 . 1 1 106 106 GLU HA H 381 3.970 3.970 3.955 0.015 17775 4210 1 7 . 1 1 106 106 GLU C C 381 178.440 178.440 179.431 -0.991 17775 4211 1 7 . 1 1 106 106 GLU CA C 381 59.260 59.260 59.814 -0.554 17775 4212 1 7 . 1 1 106 106 GLU CB C 381 29.570 29.570 29.378 0.192 17775 4213 1 7 . 1 1 106 106 GLU H H 381 8.140 8.140 8.002 0.138 17775 4214 1 7 . 1 1 107 107 GLN N N 382 117.770 117.770 118.694 -0.924 17775 4215 1 7 . 1 1 107 107 GLN HA H 382 4.040 4.040 4.048 -0.008 17775 4216 1 7 . 1 1 107 107 GLN C C 382 177.550 177.550 178.663 -1.113 17775 4217 1 7 . 1 1 107 107 GLN CA C 382 58.170 58.170 58.834 -0.664 17775 4218 1 7 . 1 1 107 107 GLN CB C 382 28.770 28.770 28.360 0.409 17775 4219 1 7 . 1 1 107 107 GLN H H 382 7.710 7.710 7.866 -0.156 17775 4220 1 7 . 1 1 108 108 PHE N N 383 118.750 118.750 119.438 -0.688 17775 4221 1 7 . 1 1 108 108 PHE HA H 383 4.490 4.490 4.217 0.273 17775 4222 1 7 . 1 1 108 108 PHE C C 383 176.570 176.570 178.214 -1.644 17775 4223 1 7 . 1 1 108 108 PHE CA C 383 59.360 59.360 62.408 -3.048 17775 4224 1 7 . 1 1 108 108 PHE CB C 383 38.760 38.760 38.741 0.019 17775 4225 1 7 . 1 1 108 108 PHE H H 383 7.880 7.880 7.769 0.111 17775 4226 1 7 . 1 1 109 109 ILE N N 384 118.200 118.200 119.263 -1.063 17775 4227 1 7 . 1 1 109 109 ILE HA H 384 3.720 3.720 3.822 -0.102 17775 4228 1 7 . 1 1 109 109 ILE C C 384 177.450 177.450 177.113 0.337 17775 4229 1 7 . 1 1 109 109 ILE CA C 384 64.280 64.280 64.670 -0.390 17775 4230 1 7 . 1 1 109 109 ILE CB C 384 37.870 37.870 37.923 -0.053 17775 4231 1 7 . 1 1 109 109 ILE H H 384 7.950 7.950 7.813 0.137 17775 4232 1 7 . 1 1 110 110 ASP N N 385 119.750 119.750 118.226 1.524 17775 4233 1 7 . 1 1 110 110 ASP HA H 385 4.440 4.440 4.410 0.030 17775 4234 1 7 . 1 1 110 110 ASP C C 385 177.620 177.620 177.799 -0.179 17775 4235 1 7 . 1 1 110 110 ASP CA C 385 56.500 56.500 56.912 -0.412 17775 4236 1 7 . 1 1 110 110 ASP CB C 385 40.860 40.860 41.046 -0.186 17775 4237 1 7 . 1 1 110 110 ASP H H 385 7.840 7.840 7.915 -0.075 17775 4238 1 7 . 1 1 111 111 TYR N N 386 118.370 118.370 118.969 -0.599 17775 4239 1 7 . 1 1 111 111 TYR HA H 386 4.430 4.430 4.288 0.142 17775 4240 1 7 . 1 1 111 111 TYR C C 386 176.320 176.320 176.152 0.168 17775 4241 1 7 . 1 1 111 111 TYR CA C 386 58.940 58.940 60.793 -1.853 17775 4242 1 7 . 1 1 111 111 TYR CB C 386 38.440 38.440 39.468 -1.028 17775 4243 1 7 . 1 1 111 111 TYR H H 386 7.760 7.760 7.681 0.079 17775 4244 1 7 . 1 1 112 112 LEU N N 387 119.730 119.730 116.933 2.797 17775 4245 1 7 . 1 1 112 112 LEU HA H 387 4.230 4.230 4.459 -0.229 17775 4246 1 7 . 1 1 112 112 LEU C C 387 175.900 175.900 175.715 0.185 17775 4247 1 7 . 1 1 112 112 LEU CA C 387 55.090 55.090 53.906 1.184 17775 4248 1 7 . 1 1 112 112 LEU CB C 387 42.670 42.670 43.195 -0.525 17775 4249 1 7 . 1 1 112 112 LEU H H 387 7.660 7.660 7.598 0.062 17775 4250 1 8 . 1 1 5 5 ILE HA H 280 4.190 4.190 3.928 0.262 17775 4251 1 8 . 1 1 5 5 ILE CA C 280 61.650 61.650 63.261 -1.611 17775 4252 1 8 . 1 1 5 5 ILE CB C 280 38.520 38.520 36.813 1.707 17775 4253 1 8 . 1 1 6 6 THR HA H 281 4.340 4.340 3.940 0.400 17775 4254 1 8 . 1 1 6 6 THR CA C 281 62.680 62.680 66.292 -3.612 17775 4255 1 8 . 1 1 6 6 THR CB C 281 69.630 69.630 68.503 1.127 17775 4256 1 8 . 1 1 8 8 PRO HA H 283 4.230 4.230 4.479 -0.249 17775 4257 1 8 . 1 1 8 8 PRO CA C 283 65.940 65.940 65.801 0.139 17775 4258 1 8 . 1 1 8 8 PRO CB C 283 30.730 30.730 30.797 -0.067 17775 4259 1 8 . 1 1 9 9 ILE N N 284 115.670 115.670 118.809 -3.139 17775 4260 1 8 . 1 1 9 9 ILE HA H 284 3.420 3.420 3.842 -0.422 17775 4261 1 8 . 1 1 9 9 ILE C C 284 177.820 177.820 178.337 -0.517 17775 4262 1 8 . 1 1 9 9 ILE CA C 284 65.540 65.540 63.822 1.718 17775 4263 1 8 . 1 1 9 9 ILE CB C 284 36.810 36.810 36.886 -0.076 17775 4264 1 8 . 1 1 9 9 ILE H H 284 7.300 7.300 7.217 0.083 17775 4265 1 8 . 1 1 10 10 ILE N N 285 121.880 121.880 120.730 1.150 17775 4266 1 8 . 1 1 10 10 ILE HA H 285 3.800 3.800 3.832 -0.032 17775 4267 1 8 . 1 1 10 10 ILE C C 285 177.690 177.690 178.985 -1.295 17775 4268 1 8 . 1 1 10 10 ILE CA C 285 62.880 62.880 63.358 -0.478 17775 4269 1 8 . 1 1 10 10 ILE CB C 285 36.560 36.560 36.339 0.221 17775 4270 1 8 . 1 1 10 10 ILE H H 285 7.880 7.880 7.625 0.255 17775 4271 1 8 . 1 1 11 11 GLU N N 286 120.580 120.580 120.228 0.352 17775 4272 1 8 . 1 1 11 11 GLU HA H 286 4.080 4.080 4.087 -0.007 17775 4273 1 8 . 1 1 11 11 GLU C C 286 180.980 180.980 179.625 1.355 17775 4274 1 8 . 1 1 11 11 GLU CA C 286 59.630 59.630 59.945 -0.315 17775 4275 1 8 . 1 1 11 11 GLU CB C 286 29.550 29.550 29.530 0.020 17775 4276 1 8 . 1 1 11 11 GLU H H 286 8.450 8.450 7.924 0.526 17775 4277 1 8 . 1 1 12 12 LEU N N 287 121.340 121.340 119.431 1.909 17775 4278 1 8 . 1 1 12 12 LEU HA H 287 4.010 4.010 4.061 -0.051 17775 4279 1 8 . 1 1 12 12 LEU C C 287 178.030 178.030 179.105 -1.075 17775 4280 1 8 . 1 1 12 12 LEU CA C 287 58.310 58.310 58.133 0.177 17775 4281 1 8 . 1 1 12 12 LEU CB C 287 42.050 42.050 41.903 0.147 17775 4282 1 8 . 1 1 12 12 LEU H H 287 8.490 8.490 8.127 0.363 17775 4283 1 8 . 1 1 13 13 SER N N 288 117.590 117.590 115.098 2.492 17775 4284 1 8 . 1 1 13 13 SER HA H 288 4.190 4.190 4.041 0.149 17775 4285 1 8 . 1 1 13 13 SER C C 288 175.660 175.660 176.978 -1.318 17775 4286 1 8 . 1 1 13 13 SER CA C 288 61.670 61.670 61.657 0.013 17775 4287 1 8 . 1 1 13 13 SER CB C 288 62.490 62.490 62.921 -0.431 17775 4288 1 8 . 1 1 13 13 SER H H 288 8.330 8.330 8.208 0.122 17775 4289 1 8 . 1 1 14 14 ASN N N 289 119.150 119.150 121.121 -1.971 17775 4290 1 8 . 1 1 14 14 ASN HA H 289 4.450 4.450 4.695 -0.245 17775 4291 1 8 . 1 1 14 14 ASN C C 289 178.480 178.480 177.849 0.631 17775 4292 1 8 . 1 1 14 14 ASN CA C 289 55.870 55.870 55.967 -0.097 17775 4293 1 8 . 1 1 14 14 ASN CB C 289 38.090 38.090 38.343 -0.253 17775 4294 1 8 . 1 1 14 14 ASN H H 289 8.650 8.650 8.277 0.373 17775 4295 1 8 . 1 1 15 15 THR N N 290 117.650 117.650 117.172 0.478 17775 4296 1 8 . 1 1 15 15 THR HA H 290 3.830 3.830 4.002 -0.172 17775 4297 1 8 . 1 1 15 15 THR C C 290 175.030 175.030 175.980 -0.950 17775 4298 1 8 . 1 1 15 15 THR CA C 290 67.790 67.790 66.098 1.692 17775 4299 1 8 . 1 1 15 15 THR CB C 290 68.660 68.660 68.211 0.449 17775 4300 1 8 . 1 1 15 15 THR H H 290 8.040 8.040 8.090 -0.050 17775 4301 1 8 . 1 1 16 16 ALA N N 291 124.470 124.470 124.370 0.100 17775 4302 1 8 . 1 1 16 16 ALA HA H 291 3.850 3.850 3.925 -0.075 17775 4303 1 8 . 1 1 16 16 ALA C C 291 178.470 178.470 179.029 -0.559 17775 4304 1 8 . 1 1 16 16 ALA CA C 291 55.430 55.430 55.236 0.194 17775 4305 1 8 . 1 1 16 16 ALA CB C 291 17.820 17.820 18.190 -0.370 17775 4306 1 8 . 1 1 16 16 ALA H H 291 8.530 8.530 7.874 0.656 17775 4307 1 8 . 1 1 17 17 ASP N N 292 117.560 117.560 118.960 -1.400 17775 4308 1 8 . 1 1 17 17 ASP HA H 292 4.360 4.360 4.341 0.019 17775 4309 1 8 . 1 1 17 17 ASP C C 292 178.420 178.420 178.873 -0.453 17775 4310 1 8 . 1 1 17 17 ASP CA C 292 57.430 57.430 57.421 0.009 17775 4311 1 8 . 1 1 17 17 ASP CB C 292 40.130 40.130 40.326 -0.196 17775 4312 1 8 . 1 1 17 17 ASP H H 292 8.290 8.290 7.984 0.306 17775 4313 1 8 . 1 1 18 18 LYS N N 293 119.100 119.100 119.962 -0.862 17775 4314 1 8 . 1 1 18 18 LYS HA H 293 4.010 4.010 4.289 -0.279 17775 4315 1 8 . 1 1 18 18 LYS C C 293 180.170 180.170 179.084 1.086 17775 4316 1 8 . 1 1 18 18 LYS CA C 293 59.020 59.020 59.269 -0.249 17775 4317 1 8 . 1 1 18 18 LYS CB C 293 32.270 32.270 32.512 -0.242 17775 4318 1 8 . 1 1 18 18 LYS H H 293 7.690 7.690 7.494 0.196 17775 4319 1 8 . 1 1 19 19 ILE N N 294 122.510 122.510 119.829 2.681 17775 4320 1 8 . 1 1 19 19 ILE HA H 294 3.690 3.690 4.028 -0.338 17775 4321 1 8 . 1 1 19 19 ILE C C 294 178.920 178.920 178.740 0.180 17775 4322 1 8 . 1 1 19 19 ILE CA C 294 64.400 64.400 64.818 -0.418 17775 4323 1 8 . 1 1 19 19 ILE CB C 294 38.320 38.320 37.908 0.412 17775 4324 1 8 . 1 1 19 19 ILE H H 294 8.220 8.220 7.724 0.496 17775 4325 1 8 . 1 1 20 20 ALA N N 295 123.270 123.270 122.111 1.159 17775 4326 1 8 . 1 1 20 20 ALA HA H 295 3.850 3.850 4.062 -0.212 17775 4327 1 8 . 1 1 20 20 ALA C C 295 179.390 179.390 178.985 0.405 17775 4328 1 8 . 1 1 20 20 ALA CA C 295 55.370 55.370 54.844 0.525 17775 4329 1 8 . 1 1 20 20 ALA CB C 295 17.880 17.880 18.331 -0.451 17775 4330 1 8 . 1 1 20 20 ALA H H 295 8.580 8.580 7.866 0.714 17775 4331 1 8 . 1 1 21 21 GLU N N 296 115.530 115.530 116.436 -0.906 17775 4332 1 8 . 1 1 21 21 GLU HA H 296 4.160 4.160 4.174 -0.014 17775 4333 1 8 . 1 1 21 21 GLU C C 296 176.560 176.560 177.696 -1.136 17775 4334 1 8 . 1 1 21 21 GLU CA C 296 56.400 56.400 56.466 -0.066 17775 4335 1 8 . 1 1 21 21 GLU CB C 296 29.830 29.830 29.794 0.036 17775 4336 1 8 . 1 1 21 21 GLU H H 296 7.680 7.680 7.785 -0.105 17775 4337 1 8 . 1 1 22 22 GLY N N 297 105.910 105.910 107.621 -1.711 17775 4338 1 8 . 1 1 22 22 GLY C C 297 174.160 174.160 174.327 -0.167 17775 4339 1 8 . 1 1 22 22 GLY CA C 297 45.040 45.040 44.601 0.439 17775 4340 1 8 . 1 1 22 22 GLY H H 297 7.820 7.820 7.950 -0.130 17775 4341 1 8 . 1 1 23 23 ASN N N 298 120.260 120.260 121.307 -1.047 17775 4342 1 8 . 1 1 23 23 ASN HA H 298 4.960 4.960 4.988 -0.028 17775 4343 1 8 . 1 1 23 23 ASN C C 298 174.560 174.560 176.034 -1.474 17775 4344 1 8 . 1 1 23 23 ASN CA C 298 51.800 51.800 51.724 0.076 17775 4345 1 8 . 1 1 23 23 ASN CB C 298 36.750 36.750 37.538 -0.789 17775 4346 1 8 . 1 1 23 23 ASN H H 298 8.070 8.070 8.040 0.030 17775 4347 1 8 . 1 1 24 24 LEU N N 299 119.750 119.750 122.636 -2.886 17775 4348 1 8 . 1 1 24 24 LEU HA H 299 3.950 3.950 4.040 -0.090 17775 4349 1 8 . 1 1 24 24 LEU C C 299 176.390 176.390 178.150 -1.760 17775 4350 1 8 . 1 1 24 24 LEU CA C 299 56.250 56.250 57.625 -1.375 17775 4351 1 8 . 1 1 24 24 LEU CB C 299 41.260 41.260 41.610 -0.350 17775 4352 1 8 . 1 1 24 24 LEU H H 299 7.850 7.850 7.551 0.298 17775 4353 1 8 . 1 1 25 25 GLU N N 300 114.210 114.210 117.503 -3.293 17775 4354 1 8 . 1 1 25 25 GLU HA H 300 4.230 4.230 4.209 0.021 17775 4355 1 8 . 1 1 25 25 GLU C C 300 176.050 176.050 176.136 -0.086 17775 4356 1 8 . 1 1 25 25 GLU CA C 300 55.640 55.640 56.459 -0.819 17775 4357 1 8 . 1 1 25 25 GLU CB C 300 29.410 29.410 29.355 0.055 17775 4358 1 8 . 1 1 25 25 GLU H H 300 7.840 7.840 8.455 -0.615 17775 4359 1 8 . 1 1 26 26 ALA N N 301 124.010 124.010 124.305 -0.295 17775 4360 1 8 . 1 1 26 26 ALA HA H 301 3.880 3.880 4.132 -0.252 17775 4361 1 8 . 1 1 26 26 ALA C C 301 175.390 175.390 176.989 -1.599 17775 4362 1 8 . 1 1 26 26 ALA CA C 301 52.890 52.890 52.545 0.345 17775 4363 1 8 . 1 1 26 26 ALA CB C 301 18.570 18.570 18.971 -0.401 17775 4364 1 8 . 1 1 26 26 ALA H H 301 6.770 6.770 7.204 -0.434 17775 4365 1 8 . 1 1 27 27 GLU N N 302 120.120 120.120 123.471 -3.351 17775 4366 1 8 . 1 1 27 27 GLU HA H 302 4.080 4.080 4.221 -0.141 17775 4367 1 8 . 1 1 27 27 GLU C C 302 176.510 176.510 176.112 0.398 17775 4368 1 8 . 1 1 27 27 GLU CA C 302 55.150 55.150 55.919 -0.769 17775 4369 1 8 . 1 1 27 27 GLU CB C 302 30.160 30.160 30.402 -0.242 17775 4370 1 8 . 1 1 27 27 GLU H H 302 7.880 7.880 8.375 -0.495 17775 4371 1 8 . 1 1 28 28 VAL N N 303 129.020 129.020 124.320 4.700 17775 4372 1 8 . 1 1 28 28 VAL HA H 303 4.230 4.230 4.224 0.006 17775 4373 1 8 . 1 1 28 28 VAL CA C 303 60.440 60.440 59.743 0.697 17775 4374 1 8 . 1 1 28 28 VAL CB C 303 31.760 31.760 31.483 0.277 17775 4375 1 8 . 1 1 28 28 VAL H H 303 8.890 8.890 8.067 0.823 17775 4376 1 8 . 1 1 29 29 PRO HA H 304 4.400 4.400 4.438 -0.038 17775 4377 1 8 . 1 1 29 29 PRO CA C 304 62.790 62.790 62.078 0.713 17775 4378 1 8 . 1 1 29 29 PRO CB C 304 32.120 32.120 32.689 -0.569 17775 4379 1 8 . 1 1 30 30 HIS N N 305 103.640 103.640 111.760 -8.120 17775 4380 1 8 . 1 1 30 30 HIS HA H 305 4.210 4.210 4.206 0.004 17775 4381 1 8 . 1 1 30 30 HIS C C 305 175.590 175.590 176.613 -1.023 17775 4382 1 8 . 1 1 30 30 HIS CA C 305 57.950 57.950 57.281 0.669 17775 4383 1 8 . 1 1 30 30 HIS CB C 305 27.910 27.910 27.276 0.634 17775 4384 1 8 . 1 1 30 30 HIS H H 305 7.780 7.780 8.405 -0.625 17775 4385 1 8 . 1 1 31 31 GLN N N 306 114.840 114.840 117.941 -3.101 17775 4386 1 8 . 1 1 31 31 GLN HA H 306 3.990 3.990 4.123 -0.133 17775 4387 1 8 . 1 1 31 31 GLN C C 306 176.290 176.290 176.431 -0.141 17775 4388 1 8 . 1 1 31 31 GLN CA C 306 58.680 58.680 58.376 0.305 17775 4389 1 8 . 1 1 31 31 GLN CB C 306 30.630 30.630 28.771 1.859 17775 4390 1 8 . 1 1 31 31 GLN H H 306 8.010 8.010 8.672 -0.662 17775 4391 1 8 . 1 1 32 32 ASN N N 307 113.230 113.230 114.108 -0.878 17775 4392 1 8 . 1 1 32 32 ASN HA H 307 4.640 4.640 4.619 0.021 17775 4393 1 8 . 1 1 32 32 ASN C C 307 175.610 175.610 175.700 -0.090 17775 4394 1 8 . 1 1 32 32 ASN CA C 307 52.800 52.800 53.348 -0.548 17775 4395 1 8 . 1 1 32 32 ASN CB C 307 37.630 37.630 38.115 -0.485 17775 4396 1 8 . 1 1 32 32 ASN H H 307 8.360 8.360 8.110 0.250 17775 4397 1 8 . 1 1 33 33 ARG N N 308 119.580 119.580 121.188 -1.608 17775 4398 1 8 . 1 1 33 33 ARG HA H 308 4.140 4.140 4.285 -0.145 17775 4399 1 8 . 1 1 33 33 ARG CA C 308 56.950 56.950 56.458 0.492 17775 4400 1 8 . 1 1 33 33 ARG CB C 308 33.030 33.030 31.006 2.025 17775 4401 1 8 . 1 1 33 33 ARG H H 308 7.160 7.160 7.451 -0.291 17775 4402 1 8 . 1 1 34 34 ALA HA H 309 4.530 4.530 4.282 0.248 17775 4403 1 8 . 1 1 34 34 ALA C C 309 176.610 176.610 177.058 -0.448 17775 4404 1 8 . 1 1 34 34 ALA CA C 309 51.650 51.650 52.638 -0.988 17775 4405 1 8 . 1 1 34 34 ALA CB C 309 18.830 18.830 19.182 -0.352 17775 4406 1 8 . 1 1 35 35 ASP N N 310 117.680 117.680 118.956 -1.276 17775 4407 1 8 . 1 1 35 35 ASP HA H 310 4.660 4.660 4.640 0.020 17775 4408 1 8 . 1 1 35 35 ASP C C 310 176.740 176.740 177.110 -0.370 17775 4409 1 8 . 1 1 35 35 ASP CA C 310 52.240 52.240 52.928 -0.688 17775 4410 1 8 . 1 1 35 35 ASP CB C 310 41.580 41.580 40.634 0.946 17775 4411 1 8 . 1 1 35 35 ASP H H 310 7.460 7.460 7.701 -0.241 17775 4412 1 8 . 1 1 36 36 GLU N N 311 118.110 118.110 117.344 0.766 17775 4413 1 8 . 1 1 36 36 GLU HA H 311 3.870 3.870 4.048 -0.178 17775 4414 1 8 . 1 1 36 36 GLU C C 311 177.440 177.440 178.414 -0.974 17775 4415 1 8 . 1 1 36 36 GLU CA C 311 60.460 60.460 59.859 0.601 17775 4416 1 8 . 1 1 36 36 GLU CB C 311 27.660 27.660 29.411 -1.751 17775 4417 1 8 . 1 1 36 36 GLU H H 311 9.910 9.910 8.652 1.258 17775 4418 1 8 . 1 1 37 37 ILE N N 312 118.790 118.790 119.341 -0.551 17775 4419 1 8 . 1 1 37 37 ILE HA H 312 3.570 3.570 3.880 -0.310 17775 4420 1 8 . 1 1 37 37 ILE C C 312 177.460 177.460 178.133 -0.673 17775 4421 1 8 . 1 1 37 37 ILE CA C 312 63.170 63.170 62.692 0.478 17775 4422 1 8 . 1 1 37 37 ILE CB C 312 35.770 35.770 36.654 -0.884 17775 4423 1 8 . 1 1 37 37 ILE H H 312 7.420 7.420 7.576 -0.156 17775 4424 1 8 . 1 1 38 38 GLY N N 313 108.320 108.320 109.231 -0.911 17775 4425 1 8 . 1 1 38 38 GLY C C 313 176.200 176.200 176.171 0.029 17775 4426 1 8 . 1 1 38 38 GLY CA C 313 47.090 47.090 47.361 -0.271 17775 4427 1 8 . 1 1 38 38 GLY H H 313 7.510 7.510 7.909 -0.399 17775 4428 1 8 . 1 1 39 39 ILE N N 314 121.890 121.890 122.475 -0.585 17775 4429 1 8 . 1 1 39 39 ILE HA H 314 3.630 3.630 3.695 -0.065 17775 4430 1 8 . 1 1 39 39 ILE C C 314 179.070 179.070 177.529 1.541 17775 4431 1 8 . 1 1 39 39 ILE CA C 314 64.750 64.750 64.984 -0.234 17775 4432 1 8 . 1 1 39 39 ILE CB C 314 37.610 37.610 37.959 -0.349 17775 4433 1 8 . 1 1 39 39 ILE H H 314 7.390 7.390 7.640 -0.250 17775 4434 1 8 . 1 1 40 40 LEU N N 315 121.370 121.370 121.516 -0.146 17775 4435 1 8 . 1 1 40 40 LEU HA H 315 4.120 4.120 4.052 0.068 17775 4436 1 8 . 1 1 40 40 LEU C C 315 178.560 178.560 178.184 0.376 17775 4437 1 8 . 1 1 40 40 LEU CA C 315 57.620 57.620 57.826 -0.206 17775 4438 1 8 . 1 1 40 40 LEU CB C 315 41.490 41.490 41.510 -0.020 17775 4439 1 8 . 1 1 40 40 LEU H H 315 7.770 7.770 7.699 0.071 17775 4440 1 8 . 1 1 41 41 ALA N N 316 123.480 123.480 121.524 1.956 17775 4441 1 8 . 1 1 41 41 ALA HA H 316 3.840 3.840 3.937 -0.097 17775 4442 1 8 . 1 1 41 41 ALA C C 316 179.700 179.700 179.536 0.164 17775 4443 1 8 . 1 1 41 41 ALA CA C 316 56.180 56.180 55.494 0.686 17775 4444 1 8 . 1 1 41 41 ALA CB C 316 19.870 19.870 18.341 1.529 17775 4445 1 8 . 1 1 41 41 ALA H H 316 9.020 9.020 7.999 1.021 17775 4446 1 8 . 1 1 42 42 LYS N N 317 116.890 116.890 118.506 -1.616 17775 4447 1 8 . 1 1 42 42 LYS HA H 317 3.900 3.900 3.934 -0.034 17775 4448 1 8 . 1 1 42 42 LYS C C 317 179.730 179.730 179.110 0.620 17775 4449 1 8 . 1 1 42 42 LYS CA C 317 60.430 60.430 59.651 0.779 17775 4450 1 8 . 1 1 42 42 LYS H H 317 8.320 8.320 7.913 0.407 17775 4451 1 8 . 1 1 43 43 SER N N 318 119.130 119.130 115.653 3.477 17775 4452 1 8 . 1 1 43 43 SER HA H 318 4.340 4.340 4.194 0.146 17775 4453 1 8 . 1 1 43 43 SER C C 318 177.430 177.430 176.764 0.666 17775 4454 1 8 . 1 1 43 43 SER CA C 318 62.630 62.630 61.660 0.970 17775 4455 1 8 . 1 1 43 43 SER CB C 318 63.050 63.050 63.011 0.039 17775 4456 1 8 . 1 1 43 43 SER H H 318 8.060 8.060 8.008 0.052 17775 4457 1 8 . 1 1 44 44 ILE N N 319 124.020 124.020 123.059 0.961 17775 4458 1 8 . 1 1 44 44 ILE HA H 319 3.640 3.640 3.700 -0.060 17775 4459 1 8 . 1 1 44 44 ILE C C 319 177.190 177.190 177.870 -0.680 17775 4460 1 8 . 1 1 44 44 ILE CA C 319 65.020 65.020 65.043 -0.023 17775 4461 1 8 . 1 1 44 44 ILE CB C 319 36.790 36.790 37.678 -0.888 17775 4462 1 8 . 1 1 44 44 ILE H H 319 8.250 8.250 7.681 0.569 17775 4463 1 8 . 1 1 45 45 GLU N N 320 123.090 123.090 120.789 2.301 17775 4464 1 8 . 1 1 45 45 GLU HA H 320 4.600 4.600 3.955 0.645 17775 4465 1 8 . 1 1 45 45 GLU C C 320 178.190 178.190 178.632 -0.442 17775 4466 1 8 . 1 1 45 45 GLU CA C 320 58.430 58.430 59.453 -1.023 17775 4467 1 8 . 1 1 45 45 GLU CB C 320 27.700 27.700 29.197 -1.497 17775 4468 1 8 . 1 1 45 45 GLU H H 320 8.390 8.390 8.096 0.294 17775 4469 1 8 . 1 1 46 46 ARG N N 321 119.760 119.760 119.251 0.509 17775 4470 1 8 . 1 1 46 46 ARG HA H 321 3.930 3.930 4.052 -0.122 17775 4471 1 8 . 1 1 46 46 ARG C C 321 179.950 179.950 179.047 0.903 17775 4472 1 8 . 1 1 46 46 ARG CA C 321 60.440 60.440 59.422 1.018 17775 4473 1 8 . 1 1 46 46 ARG CB C 321 29.770 29.770 30.161 -0.391 17775 4474 1 8 . 1 1 46 46 ARG H H 321 8.000 8.000 7.852 0.148 17775 4475 1 8 . 1 1 47 47 LEU N N 322 121.360 121.360 119.668 1.692 17775 4476 1 8 . 1 1 47 47 LEU HA H 322 4.020 4.020 3.965 0.055 17775 4477 1 8 . 1 1 47 47 LEU C C 322 178.040 178.040 178.710 -0.670 17775 4478 1 8 . 1 1 47 47 LEU CA C 322 58.550 58.550 57.852 0.698 17775 4479 1 8 . 1 1 47 47 LEU CB C 322 41.650 41.650 41.464 0.186 17775 4480 1 8 . 1 1 47 47 LEU H H 322 7.870 7.870 7.891 -0.021 17775 4481 1 8 . 1 1 48 48 ARG N N 323 121.390 121.390 119.646 1.744 17775 4482 1 8 . 1 1 48 48 ARG HA H 323 3.690 3.690 3.931 -0.241 17775 4483 1 8 . 1 1 48 48 ARG C C 323 178.120 178.120 178.463 -0.343 17775 4484 1 8 . 1 1 48 48 ARG CA C 323 60.630 60.630 59.840 0.791 17775 4485 1 8 . 1 1 48 48 ARG CB C 323 30.230 30.230 30.009 0.221 17775 4486 1 8 . 1 1 48 48 ARG H H 323 8.730 8.730 7.990 0.740 17775 4487 1 8 . 1 1 49 49 ARG N N 324 116.720 116.720 118.593 -1.873 17775 4488 1 8 . 1 1 49 49 ARG HA H 324 3.840 3.840 4.000 -0.160 17775 4489 1 8 . 1 1 49 49 ARG C C 324 179.060 179.060 178.713 0.347 17775 4490 1 8 . 1 1 49 49 ARG CA C 324 59.930 59.930 59.761 0.169 17775 4491 1 8 . 1 1 49 49 ARG CB C 324 29.830 29.830 30.082 -0.252 17775 4492 1 8 . 1 1 49 49 ARG H H 324 8.550 8.550 8.125 0.425 17775 4493 1 8 . 1 1 50 50 SER N N 325 117.600 117.600 116.943 0.657 17775 4494 1 8 . 1 1 50 50 SER HA H 325 4.120 4.120 4.163 -0.043 17775 4495 1 8 . 1 1 50 50 SER C C 325 176.050 176.050 176.623 -0.573 17775 4496 1 8 . 1 1 50 50 SER CA C 325 62.630 62.630 62.090 0.540 17775 4497 1 8 . 1 1 50 50 SER CB C 325 62.950 62.950 62.981 -0.031 17775 4498 1 8 . 1 1 50 50 SER H H 325 8.170 8.170 7.804 0.366 17775 4499 1 8 . 1 1 51 51 LEU N N 326 123.730 123.730 122.095 1.635 17775 4500 1 8 . 1 1 51 51 LEU HA H 326 3.990 3.990 3.932 0.058 17775 4501 1 8 . 1 1 51 51 LEU C C 326 177.380 177.380 178.484 -1.104 17775 4502 1 8 . 1 1 51 51 LEU CA C 326 58.580 58.580 57.959 0.621 17775 4503 1 8 . 1 1 51 51 LEU CB C 326 42.190 42.190 41.832 0.358 17775 4504 1 8 . 1 1 51 51 LEU H H 326 8.190 8.190 7.789 0.401 17775 4505 1 8 . 1 1 52 52 LYS N N 327 119.170 119.170 118.985 0.185 17775 4506 1 8 . 1 1 52 52 LYS HA H 327 3.860 3.860 3.916 -0.056 17775 4507 1 8 . 1 1 52 52 LYS C C 327 179.050 179.050 179.113 -0.063 17775 4508 1 8 . 1 1 52 52 LYS CA C 327 59.700 59.700 59.136 0.564 17775 4509 1 8 . 1 1 52 52 LYS CB C 327 32.020 32.020 31.993 0.027 17775 4510 1 8 . 1 1 52 52 LYS H H 327 8.580 8.580 8.010 0.570 17775 4511 1 8 . 1 1 53 53 GLN N N 328 118.180 118.180 118.574 -0.394 17775 4512 1 8 . 1 1 53 53 GLN HA H 328 4.080 4.080 4.061 0.019 17775 4513 1 8 . 1 1 53 53 GLN C C 328 177.960 177.960 178.522 -0.562 17775 4514 1 8 . 1 1 53 53 GLN CA C 328 58.690 58.690 58.772 -0.082 17775 4515 1 8 . 1 1 53 53 GLN CB C 328 28.450 28.450 28.590 -0.140 17775 4516 1 8 . 1 1 53 53 GLN H H 328 8.080 8.080 8.005 0.075 17775 4517 1 8 . 1 1 54 54 LEU N N 329 118.740 118.740 119.984 -1.244 17775 4518 1 8 . 1 1 54 54 LEU HA H 329 4.150 4.150 3.954 0.196 17775 4519 1 8 . 1 1 54 54 LEU C C 329 179.580 179.580 178.713 0.867 17775 4520 1 8 . 1 1 54 54 LEU CA C 329 58.080 58.080 57.733 0.347 17775 4521 1 8 . 1 1 54 54 LEU CB C 329 42.620 42.620 41.563 1.057 17775 4522 1 8 . 1 1 54 54 LEU H H 329 7.680 7.680 8.011 -0.331 17775 4523 1 8 . 1 1 55 55 ALA N N 330 123.330 123.330 122.078 1.252 17775 4524 1 8 . 1 1 55 55 ALA HA H 330 4.050 4.050 3.907 0.143 17775 4525 1 8 . 1 1 55 55 ALA C C 330 180.530 180.530 179.471 1.059 17775 4526 1 8 . 1 1 55 55 ALA CA C 330 55.630 55.630 55.419 0.211 17775 4527 1 8 . 1 1 55 55 ALA CB C 330 18.320 18.320 18.001 0.319 17775 4528 1 8 . 1 1 55 55 ALA H H 330 8.390 8.390 7.966 0.424 17775 4529 1 8 . 1 1 56 56 ASP N N 331 121.350 121.350 119.045 2.305 17775 4530 1 8 . 1 1 56 56 ASP HA H 331 4.420 4.420 4.364 0.056 17775 4531 1 8 . 1 1 56 56 ASP C C 331 179.100 179.100 178.361 0.739 17775 4532 1 8 . 1 1 56 56 ASP CA C 331 57.430 57.430 57.481 -0.051 17775 4533 1 8 . 1 1 56 56 ASP CB C 331 39.630 39.630 40.282 -0.652 17775 4534 1 8 . 1 1 56 56 ASP H H 331 8.820 8.820 8.013 0.807 17775 4535 1 8 . 1 1 57 57 ASP N N 332 121.570 121.570 120.232 1.338 17775 4536 1 8 . 1 1 57 57 ASP HA H 332 4.490 4.490 4.364 0.126 17775 4537 1 8 . 1 1 57 57 ASP C C 332 179.080 179.080 178.600 0.480 17775 4538 1 8 . 1 1 57 57 ASP CA C 332 57.380 57.380 57.294 0.086 17775 4539 1 8 . 1 1 57 57 ASP CB C 332 40.440 40.440 40.541 -0.101 17775 4540 1 8 . 1 1 57 57 ASP H H 332 8.420 8.420 8.079 0.341 17775 4541 1 8 . 1 1 58 58 ARG N N 333 120.250 120.250 120.055 0.195 17775 4542 1 8 . 1 1 58 58 ARG HA H 333 3.940 3.940 3.965 -0.025 17775 4543 1 8 . 1 1 58 58 ARG C C 333 177.770 177.770 178.531 -0.761 17775 4544 1 8 . 1 1 58 58 ARG CA C 333 58.790 58.790 59.800 -1.010 17775 4545 1 8 . 1 1 58 58 ARG CB C 333 30.300 30.300 30.395 -0.095 17775 4546 1 8 . 1 1 58 58 ARG H H 333 7.900 7.900 7.768 0.132 17775 4547 1 8 . 1 1 59 59 THR N N 334 115.160 115.160 116.336 -1.176 17775 4548 1 8 . 1 1 59 59 THR HA H 334 3.960 3.960 4.031 -0.071 17775 4549 1 8 . 1 1 59 59 THR C C 334 176.690 176.690 176.629 0.061 17775 4550 1 8 . 1 1 59 59 THR CA C 334 66.430 66.430 67.348 -0.918 17775 4551 1 8 . 1 1 59 59 THR CB C 334 68.720 68.720 68.398 0.322 17775 4552 1 8 . 1 1 59 59 THR H H 334 7.940 7.940 7.683 0.257 17775 4553 1 8 . 1 1 60 60 LEU N N 335 123.040 123.040 121.193 1.847 17775 4554 1 8 . 1 1 60 60 LEU HA H 335 4.070 4.070 3.962 0.108 17775 4555 1 8 . 1 1 60 60 LEU C C 335 180.040 180.040 178.721 1.319 17775 4556 1 8 . 1 1 60 60 LEU CA C 335 57.690 57.690 57.768 -0.078 17775 4557 1 8 . 1 1 60 60 LEU CB C 335 41.810 41.810 41.510 0.300 17775 4558 1 8 . 1 1 60 60 LEU H H 335 7.860 7.860 7.796 0.064 17775 4559 1 8 . 1 1 61 61 LEU N N 336 121.600 121.600 120.454 1.146 17775 4560 1 8 . 1 1 61 61 LEU HA H 336 4.020 4.020 3.881 0.139 17775 4561 1 8 . 1 1 61 61 LEU C C 336 179.360 179.360 178.470 0.890 17775 4562 1 8 . 1 1 61 61 LEU CA C 336 57.900 57.900 58.299 -0.399 17775 4563 1 8 . 1 1 61 61 LEU CB C 336 41.970 41.970 41.853 0.117 17775 4564 1 8 . 1 1 61 61 LEU H H 336 8.180 8.180 8.047 0.133 17775 4565 1 8 . 1 1 62 62 MET N N 337 116.900 116.900 118.658 -1.758 17775 4566 1 8 . 1 1 62 62 MET HA H 337 4.110 4.110 3.898 0.212 17775 4567 1 8 . 1 1 62 62 MET C C 337 179.750 179.750 177.924 1.826 17775 4568 1 8 . 1 1 62 62 MET CA C 337 57.850 57.850 59.248 -1.397 17775 4569 1 8 . 1 1 62 62 MET CB C 337 32.200 32.200 32.514 -0.314 17775 4570 1 8 . 1 1 62 62 MET H H 337 8.160 8.160 7.705 0.455 17775 4571 1 8 . 1 1 63 63 ALA N N 338 122.990 122.990 120.359 2.631 17775 4572 1 8 . 1 1 63 63 ALA HA H 338 4.110 4.110 4.027 0.083 17775 4573 1 8 . 1 1 63 63 ALA C C 338 180.420 180.420 179.569 0.851 17775 4574 1 8 . 1 1 63 63 ALA CA C 338 55.270 55.270 55.276 -0.006 17775 4575 1 8 . 1 1 63 63 ALA CB C 338 17.960 17.960 18.046 -0.086 17775 4576 1 8 . 1 1 63 63 ALA H H 338 8.090 8.090 7.747 0.343 17775 4577 1 8 . 1 1 64 64 GLY N N 339 106.980 106.980 106.926 0.054 17775 4578 1 8 . 1 1 64 64 GLY C C 339 175.240 175.240 176.170 -0.930 17775 4579 1 8 . 1 1 64 64 GLY CA C 339 47.190 47.190 47.187 0.003 17775 4580 1 8 . 1 1 64 64 GLY H H 339 8.070 8.070 8.039 0.031 17775 4581 1 8 . 1 1 65 65 VAL N N 340 120.660 120.660 122.042 -1.382 17775 4582 1 8 . 1 1 65 65 VAL HA H 340 3.780 3.780 3.612 0.168 17775 4583 1 8 . 1 1 65 65 VAL C C 340 176.960 176.960 178.111 -1.151 17775 4584 1 8 . 1 1 65 65 VAL CA C 340 65.620 65.620 66.484 -0.864 17775 4585 1 8 . 1 1 65 65 VAL CB C 340 31.690 31.690 31.589 0.101 17775 4586 1 8 . 1 1 65 65 VAL H H 340 8.100 8.100 7.777 0.323 17775 4587 1 8 . 1 1 66 66 SER N N 341 112.150 112.150 114.758 -2.608 17775 4588 1 8 . 1 1 66 66 SER HA H 341 4.000 4.000 4.092 -0.092 17775 4589 1 8 . 1 1 66 66 SER C C 341 175.860 175.860 176.498 -0.638 17775 4590 1 8 . 1 1 66 66 SER CA C 341 61.240 61.240 62.290 -1.050 17775 4591 1 8 . 1 1 66 66 SER CB C 341 63.260 63.260 62.987 0.272 17775 4592 1 8 . 1 1 66 66 SER H H 341 7.810 7.810 7.818 -0.008 17775 4593 1 8 . 1 1 67 67 HIS N N 342 118.910 118.910 120.906 -1.996 17775 4594 1 8 . 1 1 67 67 HIS HA H 342 4.440 4.440 4.243 0.197 17775 4595 1 8 . 1 1 67 67 HIS C C 342 177.780 177.780 177.857 -0.077 17775 4596 1 8 . 1 1 67 67 HIS CA C 342 59.160 59.160 59.843 -0.683 17775 4597 1 8 . 1 1 67 67 HIS CB C 342 30.400 30.400 30.078 0.322 17775 4598 1 8 . 1 1 67 67 HIS H H 342 7.830 7.830 7.909 -0.079 17775 4599 1 8 . 1 1 68 68 ASP N N 343 120.590 120.590 120.423 0.167 17775 4600 1 8 . 1 1 68 68 ASP HA H 343 4.440 4.440 4.487 -0.047 17775 4601 1 8 . 1 1 68 68 ASP C C 343 178.470 178.470 179.051 -0.581 17775 4602 1 8 . 1 1 68 68 ASP CA C 343 57.500 57.500 57.513 -0.013 17775 4603 1 8 . 1 1 68 68 ASP CB C 343 39.880 39.880 40.559 -0.679 17775 4604 1 8 . 1 1 68 68 ASP H H 343 8.580 8.580 8.032 0.548 17775 4605 1 8 . 1 1 69 69 LEU N N 344 117.900 117.900 119.856 -1.956 17775 4606 1 8 . 1 1 69 69 LEU HA H 344 4.190 4.190 3.981 0.209 17775 4607 1 8 . 1 1 69 69 LEU C C 344 177.010 177.010 178.281 -1.271 17775 4608 1 8 . 1 1 69 69 LEU CA C 344 56.810 56.810 57.388 -0.578 17775 4609 1 8 . 1 1 69 69 LEU CB C 344 43.300 43.300 41.542 1.758 17775 4610 1 8 . 1 1 69 69 LEU H H 344 8.300 8.300 7.989 0.311 17775 4611 1 8 . 1 1 70 70 ARG N N 345 114.380 114.380 118.354 -3.974 17775 4612 1 8 . 1 1 70 70 ARG HA H 345 3.930 3.930 3.875 0.055 17775 4613 1 8 . 1 1 70 70 ARG C C 345 178.840 178.840 178.218 0.622 17775 4614 1 8 . 1 1 70 70 ARG CA C 345 59.420 59.420 59.598 -0.178 17775 4615 1 8 . 1 1 70 70 ARG CB C 345 30.210 30.210 29.967 0.243 17775 4616 1 8 . 1 1 70 70 ARG H H 345 7.280 7.280 7.700 -0.420 17775 4617 1 8 . 1 1 71 71 THR N N 346 115.370 115.370 115.054 0.316 17775 4618 1 8 . 1 1 71 71 THR HA H 346 4.060 4.060 4.235 -0.175 17775 4619 1 8 . 1 1 71 71 THR CA C 346 68.800 68.800 67.680 1.120 17775 4620 1 8 . 1 1 71 71 THR CB C 346 66.590 66.590 66.298 0.292 17775 4621 1 8 . 1 1 71 71 THR H H 346 7.540 7.540 7.689 -0.149 17775 4622 1 8 . 1 1 72 72 PRO HA H 347 4.090 4.090 4.289 -0.199 17775 4623 1 8 . 1 1 72 72 PRO CA C 347 65.860 65.860 65.727 0.133 17775 4624 1 8 . 1 1 72 72 PRO CB C 347 31.380 31.380 31.258 0.122 17775 4625 1 8 . 1 1 73 73 LEU N N 348 114.830 114.830 118.879 -4.049 17775 4626 1 8 . 1 1 73 73 LEU HA H 348 3.950 3.950 3.918 0.032 17775 4627 1 8 . 1 1 73 73 LEU C C 348 179.120 179.120 179.404 -0.284 17775 4628 1 8 . 1 1 73 73 LEU CA C 348 58.450 58.450 58.122 0.328 17775 4629 1 8 . 1 1 73 73 LEU CB C 348 41.320 41.320 41.570 -0.250 17775 4630 1 8 . 1 1 73 73 LEU H H 348 6.970 6.970 7.683 -0.713 17775 4631 1 8 . 1 1 74 74 THR N N 349 116.230 116.230 114.576 1.654 17775 4632 1 8 . 1 1 74 74 THR HA H 349 3.880 3.880 3.939 -0.059 17775 4633 1 8 . 1 1 74 74 THR C C 349 176.100 176.100 176.983 -0.883 17775 4634 1 8 . 1 1 74 74 THR CA C 349 66.760 66.760 66.434 0.326 17775 4635 1 8 . 1 1 74 74 THR CB C 349 68.770 68.770 68.334 0.436 17775 4636 1 8 . 1 1 74 74 THR H H 349 8.090 8.090 7.866 0.224 17775 4637 1 8 . 1 1 75 75 ARG N N 350 121.190 121.190 121.193 -0.003 17775 4638 1 8 . 1 1 75 75 ARG HA H 350 3.970 3.970 4.080 -0.110 17775 4639 1 8 . 1 1 75 75 ARG C C 350 180.130 180.130 178.674 1.456 17775 4640 1 8 . 1 1 75 75 ARG CA C 350 61.030 61.030 58.913 2.117 17775 4641 1 8 . 1 1 75 75 ARG CB C 350 31.080 31.080 29.659 1.421 17775 4642 1 8 . 1 1 75 75 ARG H H 350 7.570 7.570 7.604 -0.034 17775 4643 1 8 . 1 1 76 76 ILE N N 351 122.150 122.150 119.916 2.234 17775 4644 1 8 . 1 1 76 76 ILE HA H 351 3.700 3.700 3.693 0.007 17775 4645 1 8 . 1 1 76 76 ILE C C 351 177.070 177.070 178.022 -0.952 17775 4646 1 8 . 1 1 76 76 ILE CA C 351 65.560 65.560 65.244 0.316 17775 4647 1 8 . 1 1 76 76 ILE CB C 351 37.650 37.650 37.496 0.154 17775 4648 1 8 . 1 1 76 76 ILE H H 351 8.060 8.060 7.950 0.110 17775 4649 1 8 . 1 1 77 77 ARG N N 352 120.120 120.120 120.436 -0.316 17775 4650 1 8 . 1 1 77 77 ARG HA H 352 3.930 3.930 4.087 -0.157 17775 4651 1 8 . 1 1 77 77 ARG C C 352 179.580 179.580 178.820 0.760 17775 4652 1 8 . 1 1 77 77 ARG CA C 352 59.340 59.340 58.853 0.487 17775 4653 1 8 . 1 1 77 77 ARG CB C 352 29.690 29.690 29.861 -0.171 17775 4654 1 8 . 1 1 77 77 ARG H H 352 7.700 7.700 7.719 -0.019 17775 4655 1 8 . 1 1 78 78 LEU N N 353 119.970 119.970 119.373 0.597 17775 4656 1 8 . 1 1 78 78 LEU HA H 353 4.000 4.000 3.967 0.033 17775 4657 1 8 . 1 1 78 78 LEU C C 353 179.600 179.600 178.803 0.797 17775 4658 1 8 . 1 1 78 78 LEU CA C 353 57.910 57.910 58.409 -0.499 17775 4659 1 8 . 1 1 78 78 LEU CB C 353 41.430 41.430 41.733 -0.303 17775 4660 1 8 . 1 1 78 78 LEU H H 353 8.260 8.260 7.762 0.498 17775 4661 1 8 . 1 1 79 79 ALA N N 354 122.390 122.390 120.620 1.770 17775 4662 1 8 . 1 1 79 79 ALA HA H 354 4.070 4.070 4.029 0.041 17775 4663 1 8 . 1 1 79 79 ALA C C 354 180.620 180.620 179.395 1.225 17775 4664 1 8 . 1 1 79 79 ALA CA C 354 55.270 55.270 55.091 0.179 17775 4665 1 8 . 1 1 79 79 ALA CB C 354 18.030 18.030 18.534 -0.503 17775 4666 1 8 . 1 1 79 79 ALA H H 354 7.850 7.850 7.849 0.001 17775 4667 1 8 . 1 1 80 80 THR N N 355 107.540 107.540 110.036 -2.496 17775 4668 1 8 . 1 1 80 80 THR HA H 355 3.990 3.990 3.993 -0.003 17775 4669 1 8 . 1 1 80 80 THR C C 355 177.250 177.250 176.275 0.975 17775 4670 1 8 . 1 1 80 80 THR CA C 355 64.970 64.970 65.534 -0.564 17775 4671 1 8 . 1 1 80 80 THR CB C 355 69.020 69.020 68.603 0.417 17775 4672 1 8 . 1 1 80 80 THR H H 355 7.930 7.930 8.077 -0.147 17775 4673 1 8 . 1 1 81 81 GLU N N 356 120.380 120.380 119.146 1.234 17775 4674 1 8 . 1 1 81 81 GLU HA H 356 4.090 4.090 4.234 -0.144 17775 4675 1 8 . 1 1 81 81 GLU C C 356 177.280 177.280 177.610 -0.330 17775 4676 1 8 . 1 1 81 81 GLU CA C 356 58.020 58.020 57.642 0.378 17775 4677 1 8 . 1 1 81 81 GLU CB C 356 29.490 29.490 29.849 -0.359 17775 4678 1 8 . 1 1 81 81 GLU H H 356 7.380 7.380 7.560 -0.180 17775 4679 1 8 . 1 1 82 82 MET N N 357 115.510 115.510 116.780 -1.270 17775 4680 1 8 . 1 1 82 82 MET HA H 357 4.480 4.480 4.296 0.184 17775 4681 1 8 . 1 1 82 82 MET C C 357 176.140 176.140 176.965 -0.825 17775 4682 1 8 . 1 1 82 82 MET CA C 357 54.810 54.810 56.106 -1.296 17775 4683 1 8 . 1 1 82 82 MET CB C 357 32.660 32.660 33.509 -0.849 17775 4684 1 8 . 1 1 82 82 MET H H 357 7.480 7.480 7.380 0.100 17775 4685 1 8 . 1 1 83 83 MET N N 358 119.530 119.530 119.238 0.292 17775 4686 1 8 . 1 1 83 83 MET HA H 358 4.020 4.020 4.281 -0.261 17775 4687 1 8 . 1 1 83 83 MET C C 358 175.670 175.670 175.772 -0.102 17775 4688 1 8 . 1 1 83 83 MET CA C 358 57.430 57.430 56.014 1.417 17775 4689 1 8 . 1 1 83 83 MET CB C 358 33.860 33.860 33.093 0.768 17775 4690 1 8 . 1 1 83 83 MET H H 358 7.010 7.010 7.472 -0.462 17775 4691 1 8 . 1 1 84 84 SER N N 359 119.110 119.110 117.706 1.404 17775 4692 1 8 . 1 1 84 84 SER HA H 359 4.300 4.300 4.619 -0.319 17775 4693 1 8 . 1 1 84 84 SER C C 359 176.160 176.160 175.523 0.637 17775 4694 1 8 . 1 1 84 84 SER CA C 359 59.170 59.170 57.499 1.671 17775 4695 1 8 . 1 1 84 84 SER CB C 359 64.540 64.540 64.135 0.405 17775 4696 1 8 . 1 1 84 84 SER H H 359 9.630 9.630 8.186 1.444 17775 4697 1 8 . 1 1 85 85 GLU N N 360 124.090 124.090 121.183 2.907 17775 4698 1 8 . 1 1 85 85 GLU CA C 360 58.880 58.880 58.677 0.203 17775 4699 1 8 . 1 1 85 85 GLU CB C 360 29.560 29.560 29.409 0.151 17775 4700 1 8 . 1 1 85 85 GLU H H 360 8.810 8.810 9.001 -0.191 17775 4701 1 8 . 1 1 86 86 GLN HA H 361 4.220 4.220 4.171 0.049 17775 4702 1 8 . 1 1 86 86 GLN C C 361 176.370 176.370 177.185 -0.815 17775 4703 1 8 . 1 1 86 86 GLN CA C 361 58.440 58.440 58.036 0.404 17775 4704 1 8 . 1 1 86 86 GLN CB C 361 28.290 28.290 28.733 -0.443 17775 4705 1 8 . 1 1 87 87 ASP N N 362 118.700 118.700 118.232 0.468 17775 4706 1 8 . 1 1 87 87 ASP HA H 362 5.070 5.070 4.661 0.409 17775 4707 1 8 . 1 1 87 87 ASP C C 362 176.740 176.740 176.381 0.359 17775 4708 1 8 . 1 1 87 87 ASP CA C 362 53.710 53.710 53.037 0.673 17775 4709 1 8 . 1 1 87 87 ASP CB C 362 40.980 40.980 40.651 0.328 17775 4710 1 8 . 1 1 87 87 ASP H H 362 7.640 7.640 7.794 -0.154 17775 4711 1 8 . 1 1 88 88 GLY N N 363 110.410 110.410 109.111 1.299 17775 4712 1 8 . 1 1 88 88 GLY CA C 363 47.890 47.890 47.474 0.416 17775 4713 1 8 . 1 1 88 88 GLY H H 363 7.940 7.940 8.245 -0.305 17775 4714 1 8 . 1 1 89 89 TYR HA H 364 4.430 4.430 4.457 -0.027 17775 4715 1 8 . 1 1 89 89 TYR C C 364 177.600 177.600 177.645 -0.045 17775 4716 1 8 . 1 1 89 89 TYR CA C 364 59.970 59.970 59.329 0.641 17775 4717 1 8 . 1 1 89 89 TYR CB C 364 37.100 37.100 37.014 0.086 17775 4718 1 8 . 1 1 89 89 TYR H H 364 8.470 8.470 8.194 0.276 17775 4719 1 8 . 1 1 90 90 LEU N N 365 124.000 124.000 120.253 3.747 17775 4720 1 8 . 1 1 90 90 LEU HA H 365 3.920 3.920 3.896 0.024 17775 4721 1 8 . 1 1 90 90 LEU C C 365 178.180 178.180 178.561 -0.381 17775 4722 1 8 . 1 1 90 90 LEU CA C 365 57.050 57.050 56.824 0.226 17775 4723 1 8 . 1 1 90 90 LEU CB C 365 41.930 41.930 41.170 0.759 17775 4724 1 8 . 1 1 90 90 LEU H H 365 7.080 7.080 6.781 0.299 17775 4725 1 8 . 1 1 91 91 ALA N N 366 123.150 123.150 122.331 0.819 17775 4726 1 8 . 1 1 91 91 ALA HA H 366 3.790 3.790 3.981 -0.191 17775 4727 1 8 . 1 1 91 91 ALA C C 366 179.610 179.610 179.655 -0.045 17775 4728 1 8 . 1 1 91 91 ALA CA C 366 55.910 55.910 54.795 1.115 17775 4729 1 8 . 1 1 91 91 ALA CB C 366 18.450 18.450 18.321 0.129 17775 4730 1 8 . 1 1 91 91 ALA H H 366 7.880 7.880 7.629 0.251 17775 4731 1 8 . 1 1 92 92 GLU N N 367 116.750 116.750 117.947 -1.197 17775 4732 1 8 . 1 1 92 92 GLU HA H 367 4.010 4.010 3.953 0.057 17775 4733 1 8 . 1 1 92 92 GLU C C 367 177.910 177.910 179.003 -1.093 17775 4734 1 8 . 1 1 92 92 GLU CA C 367 59.420 59.420 59.576 -0.156 17775 4735 1 8 . 1 1 92 92 GLU CB C 367 29.620 29.620 29.384 0.236 17775 4736 1 8 . 1 1 92 92 GLU H H 367 8.100 8.100 8.628 -0.528 17775 4737 1 8 . 1 1 93 93 SER N N 368 115.480 115.480 115.396 0.084 17775 4738 1 8 . 1 1 93 93 SER HA H 368 4.060 4.060 4.256 -0.196 17775 4739 1 8 . 1 1 93 93 SER C C 368 176.360 176.360 176.344 0.016 17775 4740 1 8 . 1 1 93 93 SER CA C 368 61.610 61.610 61.569 0.041 17775 4741 1 8 . 1 1 93 93 SER CB C 368 63.080 63.080 62.867 0.213 17775 4742 1 8 . 1 1 93 93 SER H H 368 7.520 7.520 7.475 0.045 17775 4743 1 8 . 1 1 94 94 ILE N N 369 121.710 121.710 121.938 -0.228 17775 4744 1 8 . 1 1 94 94 ILE HA H 369 4.000 4.000 3.917 0.083 17775 4745 1 8 . 1 1 94 94 ILE C C 369 178.000 178.000 177.887 0.113 17775 4746 1 8 . 1 1 94 94 ILE CA C 369 65.470 65.470 64.879 0.591 17775 4747 1 8 . 1 1 94 94 ILE CB C 369 38.030 38.030 37.480 0.550 17775 4748 1 8 . 1 1 94 94 ILE H H 369 8.400 8.400 7.508 0.892 17775 4749 1 8 . 1 1 95 95 ASN N N 370 117.810 117.810 118.681 -0.871 17775 4750 1 8 . 1 1 95 95 ASN HA H 370 4.290 4.290 4.404 -0.114 17775 4751 1 8 . 1 1 95 95 ASN C C 370 179.730 179.730 177.508 2.222 17775 4752 1 8 . 1 1 95 95 ASN CA C 370 57.340 57.340 56.356 0.984 17775 4753 1 8 . 1 1 95 95 ASN CB C 370 38.280 38.280 38.004 0.276 17775 4754 1 8 . 1 1 95 95 ASN H H 370 8.270 8.270 8.260 0.010 17775 4755 1 8 . 1 1 96 96 LYS N N 371 121.220 121.220 120.950 0.270 17775 4756 1 8 . 1 1 96 96 LYS HA H 371 4.090 4.090 4.014 0.076 17775 4757 1 8 . 1 1 96 96 LYS C C 371 179.250 179.250 178.441 0.809 17775 4758 1 8 . 1 1 96 96 LYS CA C 371 59.650 59.650 59.439 0.211 17775 4759 1 8 . 1 1 96 96 LYS CB C 371 31.730 31.730 32.415 -0.685 17775 4760 1 8 . 1 1 96 96 LYS H H 371 7.960 7.960 7.920 0.040 17775 4761 1 8 . 1 1 97 97 ASP N N 372 122.870 122.870 119.475 3.395 17775 4762 1 8 . 1 1 97 97 ASP HA H 372 4.060 4.060 4.418 -0.358 17775 4763 1 8 . 1 1 97 97 ASP C C 372 179.300 179.300 178.841 0.459 17775 4764 1 8 . 1 1 97 97 ASP CA C 372 58.400 58.400 57.595 0.805 17775 4765 1 8 . 1 1 97 97 ASP CB C 372 41.130 41.130 40.735 0.395 17775 4766 1 8 . 1 1 97 97 ASP H H 372 7.920 7.920 7.713 0.207 17775 4767 1 8 . 1 1 98 98 ILE N N 373 123.090 123.090 116.977 6.113 17775 4768 1 8 . 1 1 98 98 ILE HA H 373 3.620 3.620 3.748 -0.128 17775 4769 1 8 . 1 1 98 98 ILE C C 373 178.330 178.330 177.541 0.789 17775 4770 1 8 . 1 1 98 98 ILE CA C 373 65.080 65.080 64.859 0.221 17775 4771 1 8 . 1 1 98 98 ILE CB C 373 37.260 37.260 37.555 -0.295 17775 4772 1 8 . 1 1 98 98 ILE H H 373 8.720 8.720 7.789 0.931 17775 4773 1 8 . 1 1 99 99 GLU N N 374 120.550 120.550 121.377 -0.827 17775 4774 1 8 . 1 1 99 99 GLU HA H 374 4.120 4.120 3.900 0.220 17775 4775 1 8 . 1 1 99 99 GLU C C 374 179.740 179.740 178.868 0.872 17775 4776 1 8 . 1 1 99 99 GLU CA C 374 59.570 59.570 60.043 -0.473 17775 4777 1 8 . 1 1 99 99 GLU CB C 374 28.910 28.910 29.420 -0.510 17775 4778 1 8 . 1 1 99 99 GLU H H 374 8.100 8.100 8.027 0.073 17775 4779 1 8 . 1 1 100 100 GLU N N 375 122.040 122.040 119.727 2.313 17775 4780 1 8 . 1 1 100 100 GLU HA H 375 4.140 4.140 3.944 0.196 17775 4781 1 8 . 1 1 100 100 GLU C C 375 178.810 178.810 178.835 -0.025 17775 4782 1 8 . 1 1 100 100 GLU CA C 375 59.830 59.830 59.667 0.163 17775 4783 1 8 . 1 1 100 100 GLU CB C 375 29.220 29.220 29.560 -0.340 17775 4784 1 8 . 1 1 100 100 GLU H H 375 8.060 8.060 7.910 0.150 17775 4785 1 8 . 1 1 101 101 CYS N N 376 117.330 117.330 117.764 -0.434 17775 4786 1 8 . 1 1 101 101 CYS HA H 376 3.960 3.960 4.132 -0.172 17775 4787 1 8 . 1 1 101 101 CYS C C 376 176.540 176.540 176.840 -0.300 17775 4788 1 8 . 1 1 101 101 CYS CA C 376 64.510 64.510 63.276 1.234 17775 4789 1 8 . 1 1 101 101 CYS CB C 376 27.270 27.270 26.690 0.580 17775 4790 1 8 . 1 1 101 101 CYS H H 376 8.130 8.130 7.900 0.230 17775 4791 1 8 . 1 1 102 102 ASN N N 377 117.140 117.140 118.318 -1.178 17775 4792 1 8 . 1 1 102 102 ASN HA H 377 4.290 4.290 4.401 -0.111 17775 4793 1 8 . 1 1 102 102 ASN C C 377 176.980 176.980 177.137 -0.157 17775 4794 1 8 . 1 1 102 102 ASN CA C 377 56.460 56.460 56.531 -0.071 17775 4795 1 8 . 1 1 102 102 ASN CB C 377 38.440 38.440 38.486 -0.046 17775 4796 1 8 . 1 1 102 102 ASN H H 377 8.430 8.430 7.982 0.448 17775 4797 1 8 . 1 1 103 103 ALA N N 378 123.350 123.350 122.701 0.649 17775 4798 1 8 . 1 1 103 103 ALA HA H 378 4.130 4.130 4.047 0.083 17775 4799 1 8 . 1 1 103 103 ALA C C 378 180.510 180.510 179.730 0.780 17775 4800 1 8 . 1 1 103 103 ALA CA C 378 55.120 55.120 55.105 0.015 17775 4801 1 8 . 1 1 103 103 ALA CB C 378 17.960 17.960 18.309 -0.349 17775 4802 1 8 . 1 1 103 103 ALA H H 378 8.130 8.130 7.824 0.306 17775 4803 1 8 . 1 1 104 104 ILE N N 379 120.880 120.880 119.129 1.751 17775 4804 1 8 . 1 1 104 104 ILE HA H 379 3.680 3.680 3.650 0.030 17775 4805 1 8 . 1 1 104 104 ILE C C 379 178.260 178.260 178.314 -0.054 17775 4806 1 8 . 1 1 104 104 ILE CA C 379 64.860 64.860 65.816 -0.956 17775 4807 1 8 . 1 1 104 104 ILE CB C 379 38.080 38.080 38.008 0.072 17775 4808 1 8 . 1 1 104 104 ILE H H 379 8.010 8.010 7.671 0.339 17775 4809 1 8 . 1 1 105 105 ILE N N 380 119.970 119.970 120.024 -0.054 17775 4810 1 8 . 1 1 105 105 ILE HA H 380 3.430 3.430 3.765 -0.335 17775 4811 1 8 . 1 1 105 105 ILE C C 380 177.660 177.660 178.235 -0.575 17775 4812 1 8 . 1 1 105 105 ILE CA C 380 65.490 65.490 65.796 -0.306 17775 4813 1 8 . 1 1 105 105 ILE CB C 380 38.060 38.060 37.664 0.396 17775 4814 1 8 . 1 1 105 105 ILE H H 380 8.060 8.060 7.711 0.349 17775 4815 1 8 . 1 1 106 106 GLU N N 381 118.640 118.640 119.826 -1.186 17775 4816 1 8 . 1 1 106 106 GLU HA H 381 3.970 3.970 3.957 0.013 17775 4817 1 8 . 1 1 106 106 GLU C C 381 178.440 178.440 178.976 -0.536 17775 4818 1 8 . 1 1 106 106 GLU CA C 381 59.260 59.260 59.881 -0.621 17775 4819 1 8 . 1 1 106 106 GLU CB C 381 29.570 29.570 29.313 0.257 17775 4820 1 8 . 1 1 106 106 GLU H H 381 8.140 8.140 8.014 0.126 17775 4821 1 8 . 1 1 107 107 GLN N N 382 117.770 117.770 118.943 -1.173 17775 4822 1 8 . 1 1 107 107 GLN HA H 382 4.040 4.040 4.023 0.017 17775 4823 1 8 . 1 1 107 107 GLN C C 382 177.550 177.550 178.698 -1.148 17775 4824 1 8 . 1 1 107 107 GLN CA C 382 58.170 58.170 58.716 -0.546 17775 4825 1 8 . 1 1 107 107 GLN CB C 382 28.770 28.770 28.682 0.088 17775 4826 1 8 . 1 1 107 107 GLN H H 382 7.710 7.710 7.758 -0.048 17775 4827 1 8 . 1 1 108 108 PHE N N 383 118.750 118.750 119.430 -0.680 17775 4828 1 8 . 1 1 108 108 PHE HA H 383 4.490 4.490 4.249 0.241 17775 4829 1 8 . 1 1 108 108 PHE C C 383 176.570 176.570 177.943 -1.373 17775 4830 1 8 . 1 1 108 108 PHE CA C 383 59.360 59.360 62.336 -2.976 17775 4831 1 8 . 1 1 108 108 PHE CB C 383 38.760 38.760 38.812 -0.053 17775 4832 1 8 . 1 1 108 108 PHE H H 383 7.880 7.880 7.895 -0.015 17775 4833 1 8 . 1 1 109 109 ILE N N 384 118.200 118.200 120.325 -2.125 17775 4834 1 8 . 1 1 109 109 ILE HA H 384 3.720 3.720 3.786 -0.066 17775 4835 1 8 . 1 1 109 109 ILE C C 384 177.450 177.450 177.450 0.000 17775 4836 1 8 . 1 1 109 109 ILE CA C 384 64.280 64.280 65.019 -0.739 17775 4837 1 8 . 1 1 109 109 ILE CB C 384 37.870 37.870 37.883 -0.013 17775 4838 1 8 . 1 1 109 109 ILE H H 384 7.950 7.950 7.812 0.138 17775 4839 1 8 . 1 1 110 110 ASP N N 385 119.750 119.750 118.816 0.934 17775 4840 1 8 . 1 1 110 110 ASP HA H 385 4.440 4.440 4.368 0.072 17775 4841 1 8 . 1 1 110 110 ASP C C 385 177.620 177.620 177.911 -0.291 17775 4842 1 8 . 1 1 110 110 ASP CA C 385 56.500 56.500 56.795 -0.295 17775 4843 1 8 . 1 1 110 110 ASP CB C 385 40.860 40.860 40.852 0.008 17775 4844 1 8 . 1 1 110 110 ASP H H 385 7.840 7.840 7.906 -0.066 17775 4845 1 8 . 1 1 111 111 TYR N N 386 118.370 118.370 119.591 -1.221 17775 4846 1 8 . 1 1 111 111 TYR HA H 386 4.430 4.430 4.301 0.129 17775 4847 1 8 . 1 1 111 111 TYR C C 386 176.320 176.320 176.050 0.270 17775 4848 1 8 . 1 1 111 111 TYR CA C 386 58.940 58.940 60.507 -1.567 17775 4849 1 8 . 1 1 111 111 TYR CB C 386 38.440 38.440 39.518 -1.078 17775 4850 1 8 . 1 1 111 111 TYR H H 386 7.760 7.760 7.901 -0.141 17775 4851 1 8 . 1 1 112 112 LEU N N 387 119.730 119.730 119.218 0.512 17775 4852 1 8 . 1 1 112 112 LEU HA H 387 4.230 4.230 4.491 -0.261 17775 4853 1 8 . 1 1 112 112 LEU C C 387 175.900 175.900 175.793 0.107 17775 4854 1 8 . 1 1 112 112 LEU CA C 387 55.090 55.090 53.861 1.229 17775 4855 1 8 . 1 1 112 112 LEU CB C 387 42.670 42.670 43.276 -0.606 17775 4856 1 8 . 1 1 112 112 LEU H H 387 7.660 7.660 7.816 -0.156 17775 4857 1 9 . 1 1 5 5 ILE HA H 280 4.190 4.190 3.811 0.379 17775 4858 1 9 . 1 1 5 5 ILE CA C 280 61.650 61.650 64.331 -2.681 17775 4859 1 9 . 1 1 5 5 ILE CB C 280 38.520 38.520 37.614 0.906 17775 4860 1 9 . 1 1 6 6 THR HA H 281 4.340 4.340 3.955 0.385 17775 4861 1 9 . 1 1 6 6 THR CA C 281 62.680 62.680 66.349 -3.669 17775 4862 1 9 . 1 1 6 6 THR CB C 281 69.630 69.630 68.515 1.115 17775 4863 1 9 . 1 1 8 8 PRO HA H 283 4.230 4.230 4.429 -0.199 17775 4864 1 9 . 1 1 8 8 PRO CA C 283 65.940 65.940 65.697 0.243 17775 4865 1 9 . 1 1 8 8 PRO CB C 283 30.730 30.730 30.751 -0.021 17775 4866 1 9 . 1 1 9 9 ILE N N 284 115.670 115.670 119.036 -3.366 17775 4867 1 9 . 1 1 9 9 ILE HA H 284 3.420 3.420 3.835 -0.415 17775 4868 1 9 . 1 1 9 9 ILE C C 284 177.820 177.820 178.395 -0.575 17775 4869 1 9 . 1 1 9 9 ILE CA C 284 65.540 65.540 63.828 1.712 17775 4870 1 9 . 1 1 9 9 ILE CB C 284 36.810 36.810 36.903 -0.093 17775 4871 1 9 . 1 1 9 9 ILE H H 284 7.300 7.300 7.081 0.219 17775 4872 1 9 . 1 1 10 10 ILE N N 285 121.880 121.880 120.777 1.103 17775 4873 1 9 . 1 1 10 10 ILE HA H 285 3.800 3.800 3.825 -0.025 17775 4874 1 9 . 1 1 10 10 ILE C C 285 177.690 177.690 178.973 -1.283 17775 4875 1 9 . 1 1 10 10 ILE CA C 285 62.880 62.880 63.355 -0.475 17775 4876 1 9 . 1 1 10 10 ILE CB C 285 36.560 36.560 36.322 0.239 17775 4877 1 9 . 1 1 10 10 ILE H H 285 7.880 7.880 8.137 -0.257 17775 4878 1 9 . 1 1 11 11 GLU N N 286 120.580 120.580 119.679 0.901 17775 4879 1 9 . 1 1 11 11 GLU HA H 286 4.080 4.080 4.068 0.012 17775 4880 1 9 . 1 1 11 11 GLU C C 286 180.980 180.980 179.671 1.309 17775 4881 1 9 . 1 1 11 11 GLU CA C 286 59.630 59.630 59.718 -0.087 17775 4882 1 9 . 1 1 11 11 GLU CB C 286 29.550 29.550 29.565 -0.015 17775 4883 1 9 . 1 1 11 11 GLU H H 286 8.450 8.450 8.106 0.344 17775 4884 1 9 . 1 1 12 12 LEU N N 287 121.340 121.340 119.770 1.570 17775 4885 1 9 . 1 1 12 12 LEU HA H 287 4.010 4.010 4.090 -0.080 17775 4886 1 9 . 1 1 12 12 LEU C C 287 178.030 178.030 179.129 -1.099 17775 4887 1 9 . 1 1 12 12 LEU CA C 287 58.310 58.310 58.062 0.249 17775 4888 1 9 . 1 1 12 12 LEU CB C 287 42.050 42.050 41.926 0.124 17775 4889 1 9 . 1 1 12 12 LEU H H 287 8.490 8.490 8.235 0.255 17775 4890 1 9 . 1 1 13 13 SER N N 288 117.590 117.590 115.306 2.284 17775 4891 1 9 . 1 1 13 13 SER HA H 288 4.190 4.190 4.031 0.159 17775 4892 1 9 . 1 1 13 13 SER C C 288 175.660 175.660 176.826 -1.166 17775 4893 1 9 . 1 1 13 13 SER CA C 288 61.670 61.670 61.619 0.051 17775 4894 1 9 . 1 1 13 13 SER CB C 288 62.490 62.490 62.926 -0.436 17775 4895 1 9 . 1 1 13 13 SER H H 288 8.330 8.330 8.299 0.031 17775 4896 1 9 . 1 1 14 14 ASN N N 289 119.150 119.150 121.096 -1.946 17775 4897 1 9 . 1 1 14 14 ASN HA H 289 4.450 4.450 4.574 -0.124 17775 4898 1 9 . 1 1 14 14 ASN C C 289 178.480 178.480 177.858 0.622 17775 4899 1 9 . 1 1 14 14 ASN CA C 289 55.870 55.870 56.148 -0.278 17775 4900 1 9 . 1 1 14 14 ASN CB C 289 38.090 38.090 38.235 -0.145 17775 4901 1 9 . 1 1 14 14 ASN H H 289 8.650 8.650 8.346 0.304 17775 4902 1 9 . 1 1 15 15 THR N N 290 117.650 117.650 117.261 0.389 17775 4903 1 9 . 1 1 15 15 THR HA H 290 3.830 3.830 3.995 -0.165 17775 4904 1 9 . 1 1 15 15 THR C C 290 175.030 175.030 175.990 -0.960 17775 4905 1 9 . 1 1 15 15 THR CA C 290 67.790 67.790 66.119 1.671 17775 4906 1 9 . 1 1 15 15 THR CB C 290 68.660 68.660 68.224 0.436 17775 4907 1 9 . 1 1 15 15 THR H H 290 8.040 8.040 7.967 0.073 17775 4908 1 9 . 1 1 16 16 ALA N N 291 124.470 124.470 124.319 0.151 17775 4909 1 9 . 1 1 16 16 ALA HA H 291 3.850 3.850 3.927 -0.077 17775 4910 1 9 . 1 1 16 16 ALA C C 291 178.470 178.470 179.130 -0.660 17775 4911 1 9 . 1 1 16 16 ALA CA C 291 55.430 55.430 55.205 0.225 17775 4912 1 9 . 1 1 16 16 ALA CB C 291 17.820 17.820 18.182 -0.362 17775 4913 1 9 . 1 1 16 16 ALA H H 291 8.530 8.530 7.934 0.596 17775 4914 1 9 . 1 1 17 17 ASP N N 292 117.560 117.560 119.002 -1.442 17775 4915 1 9 . 1 1 17 17 ASP HA H 292 4.360 4.360 4.343 0.017 17775 4916 1 9 . 1 1 17 17 ASP C C 292 178.420 178.420 178.813 -0.393 17775 4917 1 9 . 1 1 17 17 ASP CA C 292 57.430 57.430 57.662 -0.232 17775 4918 1 9 . 1 1 17 17 ASP CB C 292 40.130 40.130 40.355 -0.225 17775 4919 1 9 . 1 1 17 17 ASP H H 292 8.290 8.290 7.994 0.296 17775 4920 1 9 . 1 1 18 18 LYS N N 293 119.100 119.100 119.947 -0.847 17775 4921 1 9 . 1 1 18 18 LYS HA H 293 4.010 4.010 4.009 0.001 17775 4922 1 9 . 1 1 18 18 LYS C C 293 180.170 180.170 179.074 1.096 17775 4923 1 9 . 1 1 18 18 LYS CA C 293 59.020 59.020 59.547 -0.527 17775 4924 1 9 . 1 1 18 18 LYS CB C 293 32.270 32.270 32.467 -0.196 17775 4925 1 9 . 1 1 18 18 LYS H H 293 7.690 7.690 7.516 0.174 17775 4926 1 9 . 1 1 19 19 ILE N N 294 122.510 122.510 119.796 2.714 17775 4927 1 9 . 1 1 19 19 ILE HA H 294 3.690 3.690 3.977 -0.287 17775 4928 1 9 . 1 1 19 19 ILE C C 294 178.920 178.920 178.695 0.225 17775 4929 1 9 . 1 1 19 19 ILE CA C 294 64.400 64.400 64.863 -0.463 17775 4930 1 9 . 1 1 19 19 ILE CB C 294 38.320 38.320 37.903 0.417 17775 4931 1 9 . 1 1 19 19 ILE H H 294 8.220 8.220 7.738 0.482 17775 4932 1 9 . 1 1 20 20 ALA N N 295 123.270 123.270 122.197 1.073 17775 4933 1 9 . 1 1 20 20 ALA HA H 295 3.850 3.850 4.073 -0.223 17775 4934 1 9 . 1 1 20 20 ALA C C 295 179.390 179.390 178.929 0.461 17775 4935 1 9 . 1 1 20 20 ALA CA C 295 55.370 55.370 54.820 0.550 17775 4936 1 9 . 1 1 20 20 ALA CB C 295 17.880 17.880 18.359 -0.479 17775 4937 1 9 . 1 1 20 20 ALA H H 295 8.580 8.580 7.868 0.712 17775 4938 1 9 . 1 1 21 21 GLU N N 296 115.530 115.530 116.417 -0.887 17775 4939 1 9 . 1 1 21 21 GLU HA H 296 4.160 4.160 4.194 -0.034 17775 4940 1 9 . 1 1 21 21 GLU C C 296 176.560 176.560 177.672 -1.112 17775 4941 1 9 . 1 1 21 21 GLU CA C 296 56.400 56.400 56.356 0.044 17775 4942 1 9 . 1 1 21 21 GLU CB C 296 29.830 29.830 29.845 -0.015 17775 4943 1 9 . 1 1 21 21 GLU H H 296 7.680 7.680 7.772 -0.092 17775 4944 1 9 . 1 1 22 22 GLY N N 297 105.910 105.910 108.130 -2.220 17775 4945 1 9 . 1 1 22 22 GLY C C 297 174.160 174.160 174.203 -0.043 17775 4946 1 9 . 1 1 22 22 GLY CA C 297 45.040 45.040 44.582 0.458 17775 4947 1 9 . 1 1 22 22 GLY H H 297 7.820 7.820 7.930 -0.110 17775 4948 1 9 . 1 1 23 23 ASN N N 298 120.260 120.260 120.921 -0.661 17775 4949 1 9 . 1 1 23 23 ASN HA H 298 4.960 4.960 4.956 0.004 17775 4950 1 9 . 1 1 23 23 ASN C C 298 174.560 174.560 175.913 -1.353 17775 4951 1 9 . 1 1 23 23 ASN CA C 298 51.800 51.800 52.331 -0.531 17775 4952 1 9 . 1 1 23 23 ASN CB C 298 36.750 36.750 38.130 -1.380 17775 4953 1 9 . 1 1 23 23 ASN H H 298 8.070 8.070 8.080 -0.010 17775 4954 1 9 . 1 1 24 24 LEU N N 299 119.750 119.750 122.436 -2.686 17775 4955 1 9 . 1 1 24 24 LEU HA H 299 3.950 3.950 4.060 -0.110 17775 4956 1 9 . 1 1 24 24 LEU C C 299 176.390 176.390 178.170 -1.780 17775 4957 1 9 . 1 1 24 24 LEU CA C 299 56.250 56.250 57.221 -0.971 17775 4958 1 9 . 1 1 24 24 LEU CB C 299 41.260 41.260 41.707 -0.447 17775 4959 1 9 . 1 1 24 24 LEU H H 299 7.850 7.850 7.727 0.123 17775 4960 1 9 . 1 1 25 25 GLU N N 300 114.210 114.210 118.174 -3.964 17775 4961 1 9 . 1 1 25 25 GLU HA H 300 4.230 4.230 4.181 0.049 17775 4962 1 9 . 1 1 25 25 GLU C C 300 176.050 176.050 176.339 -0.289 17775 4963 1 9 . 1 1 25 25 GLU CA C 300 55.640 55.640 56.700 -1.060 17775 4964 1 9 . 1 1 25 25 GLU CB C 300 29.410 29.410 29.481 -0.071 17775 4965 1 9 . 1 1 25 25 GLU H H 300 7.840 7.840 8.431 -0.591 17775 4966 1 9 . 1 1 26 26 ALA N N 301 124.010 124.010 124.321 -0.311 17775 4967 1 9 . 1 1 26 26 ALA HA H 301 3.880 3.880 4.188 -0.308 17775 4968 1 9 . 1 1 26 26 ALA C C 301 175.390 175.390 176.922 -1.532 17775 4969 1 9 . 1 1 26 26 ALA CA C 301 52.890 52.890 52.396 0.494 17775 4970 1 9 . 1 1 26 26 ALA CB C 301 18.570 18.570 18.912 -0.342 17775 4971 1 9 . 1 1 26 26 ALA H H 301 6.770 6.770 7.345 -0.575 17775 4972 1 9 . 1 1 27 27 GLU N N 302 120.120 120.120 123.156 -3.036 17775 4973 1 9 . 1 1 27 27 GLU HA H 302 4.080 4.080 4.266 -0.186 17775 4974 1 9 . 1 1 27 27 GLU C C 302 176.510 176.510 176.142 0.368 17775 4975 1 9 . 1 1 27 27 GLU CA C 302 55.150 55.150 55.886 -0.736 17775 4976 1 9 . 1 1 27 27 GLU CB C 302 30.160 30.160 30.475 -0.315 17775 4977 1 9 . 1 1 27 27 GLU H H 302 7.880 7.880 8.396 -0.516 17775 4978 1 9 . 1 1 28 28 VAL N N 303 129.020 129.020 125.119 3.901 17775 4979 1 9 . 1 1 28 28 VAL HA H 303 4.230 4.230 4.171 0.059 17775 4980 1 9 . 1 1 28 28 VAL CA C 303 60.440 60.440 59.748 0.692 17775 4981 1 9 . 1 1 28 28 VAL CB C 303 31.760 31.760 31.223 0.537 17775 4982 1 9 . 1 1 28 28 VAL H H 303 8.890 8.890 8.071 0.819 17775 4983 1 9 . 1 1 29 29 PRO HA H 304 4.400 4.400 4.523 -0.123 17775 4984 1 9 . 1 1 29 29 PRO CA C 304 62.790 62.790 62.189 0.601 17775 4985 1 9 . 1 1 29 29 PRO CB C 304 32.120 32.120 32.625 -0.505 17775 4986 1 9 . 1 1 30 30 HIS N N 305 103.640 103.640 112.707 -9.067 17775 4987 1 9 . 1 1 30 30 HIS HA H 305 4.210 4.210 4.174 0.036 17775 4988 1 9 . 1 1 30 30 HIS C C 305 175.590 175.590 176.476 -0.886 17775 4989 1 9 . 1 1 30 30 HIS CA C 305 57.950 57.950 57.223 0.727 17775 4990 1 9 . 1 1 30 30 HIS CB C 305 27.910 27.910 26.820 1.090 17775 4991 1 9 . 1 1 30 30 HIS H H 305 7.780 7.780 8.334 -0.554 17775 4992 1 9 . 1 1 31 31 GLN N N 306 114.840 114.840 117.760 -2.920 17775 4993 1 9 . 1 1 31 31 GLN HA H 306 3.990 3.990 4.042 -0.052 17775 4994 1 9 . 1 1 31 31 GLN C C 306 176.290 176.290 176.606 -0.316 17775 4995 1 9 . 1 1 31 31 GLN CA C 306 58.680 58.680 59.223 -0.543 17775 4996 1 9 . 1 1 31 31 GLN CB C 306 30.630 30.630 28.884 1.746 17775 4997 1 9 . 1 1 31 31 GLN H H 306 8.010 8.010 8.709 -0.699 17775 4998 1 9 . 1 1 32 32 ASN N N 307 113.230 113.230 113.913 -0.683 17775 4999 1 9 . 1 1 32 32 ASN HA H 307 4.640 4.640 4.676 -0.036 17775 5000 1 9 . 1 1 32 32 ASN C C 307 175.610 175.610 174.807 0.803 17775 5001 1 9 . 1 1 32 32 ASN CA C 307 52.800 52.800 52.775 0.025 17775 5002 1 9 . 1 1 32 32 ASN CB C 307 37.630 37.630 37.958 -0.328 17775 5003 1 9 . 1 1 32 32 ASN H H 307 8.360 8.360 8.267 0.093 17775 5004 1 9 . 1 1 33 33 ARG N N 308 119.580 119.580 121.422 -1.842 17775 5005 1 9 . 1 1 33 33 ARG HA H 308 4.140 4.140 4.285 -0.145 17775 5006 1 9 . 1 1 33 33 ARG CA C 308 56.950 56.950 56.756 0.194 17775 5007 1 9 . 1 1 33 33 ARG CB C 308 33.030 33.030 30.951 2.079 17775 5008 1 9 . 1 1 33 33 ARG H H 308 7.160 7.160 7.469 -0.309 17775 5009 1 9 . 1 1 34 34 ALA HA H 309 4.530 4.530 4.246 0.284 17775 5010 1 9 . 1 1 34 34 ALA C C 309 176.610 176.610 177.037 -0.427 17775 5011 1 9 . 1 1 34 34 ALA CA C 309 51.650 51.650 52.780 -1.130 17775 5012 1 9 . 1 1 34 34 ALA CB C 309 18.830 18.830 19.046 -0.216 17775 5013 1 9 . 1 1 35 35 ASP N N 310 117.680 117.680 118.722 -1.042 17775 5014 1 9 . 1 1 35 35 ASP HA H 310 4.660 4.660 4.692 -0.032 17775 5015 1 9 . 1 1 35 35 ASP C C 310 176.740 176.740 176.977 -0.237 17775 5016 1 9 . 1 1 35 35 ASP CA C 310 52.240 52.240 52.678 -0.438 17775 5017 1 9 . 1 1 35 35 ASP CB C 310 41.580 41.580 40.747 0.833 17775 5018 1 9 . 1 1 35 35 ASP H H 310 7.460 7.460 7.662 -0.202 17775 5019 1 9 . 1 1 36 36 GLU N N 311 118.110 118.110 117.333 0.777 17775 5020 1 9 . 1 1 36 36 GLU HA H 311 3.870 3.870 4.072 -0.202 17775 5021 1 9 . 1 1 36 36 GLU C C 311 177.440 177.440 178.403 -0.963 17775 5022 1 9 . 1 1 36 36 GLU CA C 311 60.460 60.460 59.786 0.674 17775 5023 1 9 . 1 1 36 36 GLU CB C 311 27.660 27.660 29.401 -1.741 17775 5024 1 9 . 1 1 36 36 GLU H H 311 9.910 9.910 8.652 1.258 17775 5025 1 9 . 1 1 37 37 ILE N N 312 118.790 118.790 119.498 -0.708 17775 5026 1 9 . 1 1 37 37 ILE HA H 312 3.570 3.570 3.886 -0.316 17775 5027 1 9 . 1 1 37 37 ILE C C 312 177.460 177.460 178.144 -0.684 17775 5028 1 9 . 1 1 37 37 ILE CA C 312 63.170 63.170 62.614 0.556 17775 5029 1 9 . 1 1 37 37 ILE CB C 312 35.770 35.770 36.581 -0.811 17775 5030 1 9 . 1 1 37 37 ILE H H 312 7.420 7.420 7.665 -0.245 17775 5031 1 9 . 1 1 38 38 GLY N N 313 108.320 108.320 109.444 -1.124 17775 5032 1 9 . 1 1 38 38 GLY C C 313 176.200 176.200 176.177 0.023 17775 5033 1 9 . 1 1 38 38 GLY CA C 313 47.090 47.090 47.391 -0.301 17775 5034 1 9 . 1 1 38 38 GLY H H 313 7.510 7.510 7.969 -0.459 17775 5035 1 9 . 1 1 39 39 ILE N N 314 121.890 121.890 122.373 -0.483 17775 5036 1 9 . 1 1 39 39 ILE HA H 314 3.630 3.630 3.700 -0.070 17775 5037 1 9 . 1 1 39 39 ILE C C 314 179.070 179.070 177.575 1.495 17775 5038 1 9 . 1 1 39 39 ILE CA C 314 64.750 64.750 64.881 -0.131 17775 5039 1 9 . 1 1 39 39 ILE CB C 314 37.610 37.610 37.951 -0.341 17775 5040 1 9 . 1 1 39 39 ILE H H 314 7.390 7.390 7.614 -0.224 17775 5041 1 9 . 1 1 40 40 LEU N N 315 121.370 121.370 121.721 -0.351 17775 5042 1 9 . 1 1 40 40 LEU HA H 315 4.120 4.120 4.057 0.063 17775 5043 1 9 . 1 1 40 40 LEU C C 315 178.560 178.560 178.146 0.414 17775 5044 1 9 . 1 1 40 40 LEU CA C 315 57.620 57.620 57.824 -0.204 17775 5045 1 9 . 1 1 40 40 LEU CB C 315 41.490 41.490 41.497 -0.007 17775 5046 1 9 . 1 1 40 40 LEU H H 315 7.770 7.770 7.837 -0.067 17775 5047 1 9 . 1 1 41 41 ALA N N 316 123.480 123.480 121.555 1.925 17775 5048 1 9 . 1 1 41 41 ALA HA H 316 3.840 3.840 3.939 -0.099 17775 5049 1 9 . 1 1 41 41 ALA C C 316 179.700 179.700 179.565 0.135 17775 5050 1 9 . 1 1 41 41 ALA CA C 316 56.180 56.180 55.478 0.702 17775 5051 1 9 . 1 1 41 41 ALA CB C 316 19.870 19.870 18.329 1.541 17775 5052 1 9 . 1 1 41 41 ALA H H 316 9.020 9.020 8.159 0.861 17775 5053 1 9 . 1 1 42 42 LYS N N 317 116.890 116.890 118.439 -1.549 17775 5054 1 9 . 1 1 42 42 LYS HA H 317 3.900 3.900 3.955 -0.055 17775 5055 1 9 . 1 1 42 42 LYS C C 317 179.730 179.730 179.106 0.624 17775 5056 1 9 . 1 1 42 42 LYS CA C 317 60.430 60.430 59.672 0.758 17775 5057 1 9 . 1 1 42 42 LYS H H 317 8.320 8.320 8.082 0.238 17775 5058 1 9 . 1 1 43 43 SER N N 318 119.130 119.130 115.664 3.466 17775 5059 1 9 . 1 1 43 43 SER HA H 318 4.340 4.340 4.206 0.134 17775 5060 1 9 . 1 1 43 43 SER C C 318 177.430 177.430 176.704 0.726 17775 5061 1 9 . 1 1 43 43 SER CA C 318 62.630 62.630 61.801 0.829 17775 5062 1 9 . 1 1 43 43 SER CB C 318 63.050 63.050 62.909 0.141 17775 5063 1 9 . 1 1 43 43 SER H H 318 8.060 8.060 7.989 0.071 17775 5064 1 9 . 1 1 44 44 ILE N N 319 124.020 124.020 122.835 1.185 17775 5065 1 9 . 1 1 44 44 ILE HA H 319 3.640 3.640 3.668 -0.028 17775 5066 1 9 . 1 1 44 44 ILE C C 319 177.190 177.190 177.926 -0.736 17775 5067 1 9 . 1 1 44 44 ILE CA C 319 65.020 65.020 65.101 -0.081 17775 5068 1 9 . 1 1 44 44 ILE CB C 319 36.790 36.790 37.646 -0.856 17775 5069 1 9 . 1 1 44 44 ILE H H 319 8.250 8.250 7.613 0.637 17775 5070 1 9 . 1 1 45 45 GLU N N 320 123.090 123.090 120.649 2.441 17775 5071 1 9 . 1 1 45 45 GLU HA H 320 4.600 4.600 3.961 0.639 17775 5072 1 9 . 1 1 45 45 GLU C C 320 178.190 178.190 178.658 -0.468 17775 5073 1 9 . 1 1 45 45 GLU CA C 320 58.430 58.430 59.418 -0.988 17775 5074 1 9 . 1 1 45 45 GLU CB C 320 27.700 27.700 29.216 -1.516 17775 5075 1 9 . 1 1 45 45 GLU H H 320 8.390 8.390 8.045 0.345 17775 5076 1 9 . 1 1 46 46 ARG N N 321 119.760 119.760 119.303 0.457 17775 5077 1 9 . 1 1 46 46 ARG HA H 321 3.930 3.930 4.047 -0.117 17775 5078 1 9 . 1 1 46 46 ARG C C 321 179.950 179.950 179.060 0.890 17775 5079 1 9 . 1 1 46 46 ARG CA C 321 60.440 60.440 59.416 1.024 17775 5080 1 9 . 1 1 46 46 ARG CB C 321 29.770 29.770 30.149 -0.379 17775 5081 1 9 . 1 1 46 46 ARG H H 321 8.000 8.000 7.901 0.099 17775 5082 1 9 . 1 1 47 47 LEU N N 322 121.360 121.360 119.356 2.004 17775 5083 1 9 . 1 1 47 47 LEU HA H 322 4.020 4.020 4.029 -0.009 17775 5084 1 9 . 1 1 47 47 LEU C C 322 178.040 178.040 178.704 -0.664 17775 5085 1 9 . 1 1 47 47 LEU CA C 322 58.550 58.550 57.974 0.576 17775 5086 1 9 . 1 1 47 47 LEU CB C 322 41.650 41.650 41.538 0.113 17775 5087 1 9 . 1 1 47 47 LEU H H 322 7.870 7.870 7.897 -0.027 17775 5088 1 9 . 1 1 48 48 ARG N N 323 121.390 121.390 119.495 1.895 17775 5089 1 9 . 1 1 48 48 ARG HA H 323 3.690 3.690 3.941 -0.251 17775 5090 1 9 . 1 1 48 48 ARG C C 323 178.120 178.120 178.492 -0.372 17775 5091 1 9 . 1 1 48 48 ARG CA C 323 60.630 60.630 59.755 0.875 17775 5092 1 9 . 1 1 48 48 ARG CB C 323 30.230 30.230 29.984 0.246 17775 5093 1 9 . 1 1 48 48 ARG H H 323 8.730 8.730 7.910 0.820 17775 5094 1 9 . 1 1 49 49 ARG N N 324 116.720 116.720 118.893 -2.173 17775 5095 1 9 . 1 1 49 49 ARG HA H 324 3.840 3.840 3.981 -0.141 17775 5096 1 9 . 1 1 49 49 ARG C C 324 179.060 179.060 178.695 0.365 17775 5097 1 9 . 1 1 49 49 ARG CA C 324 59.930 59.930 59.922 0.008 17775 5098 1 9 . 1 1 49 49 ARG CB C 324 29.830 29.830 30.005 -0.175 17775 5099 1 9 . 1 1 49 49 ARG H H 324 8.550 8.550 8.120 0.430 17775 5100 1 9 . 1 1 50 50 SER N N 325 117.600 117.600 116.366 1.234 17775 5101 1 9 . 1 1 50 50 SER HA H 325 4.120 4.120 4.208 -0.088 17775 5102 1 9 . 1 1 50 50 SER C C 325 176.050 176.050 176.753 -0.703 17775 5103 1 9 . 1 1 50 50 SER CA C 325 62.630 62.630 62.396 0.234 17775 5104 1 9 . 1 1 50 50 SER CB C 325 62.950 62.950 62.950 -0.000 17775 5105 1 9 . 1 1 50 50 SER H H 325 8.170 8.170 7.799 0.371 17775 5106 1 9 . 1 1 51 51 LEU N N 326 123.730 123.730 122.146 1.584 17775 5107 1 9 . 1 1 51 51 LEU HA H 326 3.990 3.990 3.962 0.028 17775 5108 1 9 . 1 1 51 51 LEU C C 326 177.380 177.380 178.477 -1.097 17775 5109 1 9 . 1 1 51 51 LEU CA C 326 58.580 58.580 58.064 0.516 17775 5110 1 9 . 1 1 51 51 LEU CB C 326 42.190 42.190 41.632 0.558 17775 5111 1 9 . 1 1 51 51 LEU H H 326 8.190 8.190 7.879 0.311 17775 5112 1 9 . 1 1 52 52 LYS N N 327 119.170 119.170 119.315 -0.145 17775 5113 1 9 . 1 1 52 52 LYS HA H 327 3.860 3.860 3.872 -0.012 17775 5114 1 9 . 1 1 52 52 LYS C C 327 179.050 179.050 178.947 0.103 17775 5115 1 9 . 1 1 52 52 LYS CA C 327 59.700 59.700 59.709 -0.009 17775 5116 1 9 . 1 1 52 52 LYS CB C 327 32.020 32.020 32.227 -0.207 17775 5117 1 9 . 1 1 52 52 LYS H H 327 8.580 8.580 7.954 0.626 17775 5118 1 9 . 1 1 53 53 GLN N N 328 118.180 118.180 118.592 -0.412 17775 5119 1 9 . 1 1 53 53 GLN HA H 328 4.080 4.080 4.057 0.023 17775 5120 1 9 . 1 1 53 53 GLN C C 328 177.960 177.960 178.767 -0.807 17775 5121 1 9 . 1 1 53 53 GLN CA C 328 58.690 58.690 58.998 -0.308 17775 5122 1 9 . 1 1 53 53 GLN CB C 328 28.450 28.450 28.832 -0.382 17775 5123 1 9 . 1 1 53 53 GLN H H 328 8.080 8.080 7.901 0.179 17775 5124 1 9 . 1 1 54 54 LEU N N 329 118.740 118.740 120.039 -1.299 17775 5125 1 9 . 1 1 54 54 LEU HA H 329 4.150 4.150 4.220 -0.070 17775 5126 1 9 . 1 1 54 54 LEU C C 329 179.580 179.580 178.998 0.582 17775 5127 1 9 . 1 1 54 54 LEU CA C 329 58.080 58.080 57.761 0.319 17775 5128 1 9 . 1 1 54 54 LEU CB C 329 42.620 42.620 41.805 0.815 17775 5129 1 9 . 1 1 54 54 LEU H H 329 7.680 7.680 8.031 -0.351 17775 5130 1 9 . 1 1 55 55 ALA N N 330 123.330 123.330 121.999 1.331 17775 5131 1 9 . 1 1 55 55 ALA HA H 330 4.050 4.050 3.913 0.137 17775 5132 1 9 . 1 1 55 55 ALA C C 330 180.530 180.530 179.456 1.074 17775 5133 1 9 . 1 1 55 55 ALA CA C 330 55.630 55.630 55.436 0.194 17775 5134 1 9 . 1 1 55 55 ALA CB C 330 18.320 18.320 18.007 0.313 17775 5135 1 9 . 1 1 55 55 ALA H H 330 8.390 8.390 7.890 0.500 17775 5136 1 9 . 1 1 56 56 ASP N N 331 121.350 121.350 118.745 2.605 17775 5137 1 9 . 1 1 56 56 ASP HA H 331 4.420 4.420 4.330 0.090 17775 5138 1 9 . 1 1 56 56 ASP C C 331 179.100 179.100 178.421 0.679 17775 5139 1 9 . 1 1 56 56 ASP CA C 331 57.430 57.430 57.392 0.038 17775 5140 1 9 . 1 1 56 56 ASP CB C 331 39.630 39.630 40.104 -0.474 17775 5141 1 9 . 1 1 56 56 ASP H H 331 8.820 8.820 7.916 0.904 17775 5142 1 9 . 1 1 57 57 ASP N N 332 121.570 121.570 120.322 1.248 17775 5143 1 9 . 1 1 57 57 ASP HA H 332 4.490 4.490 4.337 0.153 17775 5144 1 9 . 1 1 57 57 ASP C C 332 179.080 179.080 178.523 0.557 17775 5145 1 9 . 1 1 57 57 ASP CA C 332 57.380 57.380 57.318 0.062 17775 5146 1 9 . 1 1 57 57 ASP CB C 332 40.440 40.440 40.446 -0.006 17775 5147 1 9 . 1 1 57 57 ASP H H 332 8.420 8.420 8.179 0.241 17775 5148 1 9 . 1 1 58 58 ARG N N 333 120.250 120.250 120.075 0.175 17775 5149 1 9 . 1 1 58 58 ARG HA H 333 3.940 3.940 3.982 -0.042 17775 5150 1 9 . 1 1 58 58 ARG C C 333 177.770 177.770 178.628 -0.858 17775 5151 1 9 . 1 1 58 58 ARG CA C 333 58.790 58.790 59.454 -0.664 17775 5152 1 9 . 1 1 58 58 ARG CB C 333 30.300 30.300 30.316 -0.016 17775 5153 1 9 . 1 1 58 58 ARG H H 333 7.900 7.900 7.685 0.215 17775 5154 1 9 . 1 1 59 59 THR N N 334 115.160 115.160 116.017 -0.857 17775 5155 1 9 . 1 1 59 59 THR HA H 334 3.960 3.960 4.083 -0.123 17775 5156 1 9 . 1 1 59 59 THR C C 334 176.690 176.690 176.724 -0.034 17775 5157 1 9 . 1 1 59 59 THR CA C 334 66.430 66.430 66.989 -0.559 17775 5158 1 9 . 1 1 59 59 THR CB C 334 68.720 68.720 68.572 0.148 17775 5159 1 9 . 1 1 59 59 THR H H 334 7.940 7.940 7.609 0.331 17775 5160 1 9 . 1 1 60 60 LEU N N 335 123.040 123.040 121.651 1.389 17775 5161 1 9 . 1 1 60 60 LEU HA H 335 4.070 4.070 3.962 0.108 17775 5162 1 9 . 1 1 60 60 LEU C C 335 180.040 180.040 178.860 1.180 17775 5163 1 9 . 1 1 60 60 LEU CA C 335 57.690 57.690 57.790 -0.100 17775 5164 1 9 . 1 1 60 60 LEU CB C 335 41.810 41.810 41.603 0.207 17775 5165 1 9 . 1 1 60 60 LEU H H 335 7.860 7.860 7.930 -0.070 17775 5166 1 9 . 1 1 61 61 LEU N N 336 121.600 121.600 120.195 1.405 17775 5167 1 9 . 1 1 61 61 LEU HA H 336 4.020 4.020 3.872 0.148 17775 5168 1 9 . 1 1 61 61 LEU C C 336 179.360 179.360 178.443 0.917 17775 5169 1 9 . 1 1 61 61 LEU CA C 336 57.900 57.900 58.269 -0.369 17775 5170 1 9 . 1 1 61 61 LEU CB C 336 41.970 41.970 41.875 0.095 17775 5171 1 9 . 1 1 61 61 LEU H H 336 8.180 8.180 7.891 0.289 17775 5172 1 9 . 1 1 62 62 MET N N 337 116.900 116.900 118.745 -1.845 17775 5173 1 9 . 1 1 62 62 MET HA H 337 4.110 4.110 3.856 0.254 17775 5174 1 9 . 1 1 62 62 MET C C 337 179.750 179.750 177.913 1.837 17775 5175 1 9 . 1 1 62 62 MET CA C 337 57.850 57.850 59.185 -1.335 17775 5176 1 9 . 1 1 62 62 MET CB C 337 32.200 32.200 32.466 -0.266 17775 5177 1 9 . 1 1 62 62 MET H H 337 8.160 8.160 7.615 0.545 17775 5178 1 9 . 1 1 63 63 ALA N N 338 122.990 122.990 120.436 2.554 17775 5179 1 9 . 1 1 63 63 ALA HA H 338 4.110 4.110 3.999 0.111 17775 5180 1 9 . 1 1 63 63 ALA C C 338 180.420 180.420 179.538 0.882 17775 5181 1 9 . 1 1 63 63 ALA CA C 338 55.270 55.270 55.303 -0.033 17775 5182 1 9 . 1 1 63 63 ALA CB C 338 17.960 17.960 18.006 -0.046 17775 5183 1 9 . 1 1 63 63 ALA H H 338 8.090 8.090 7.786 0.304 17775 5184 1 9 . 1 1 64 64 GLY N N 339 106.980 106.980 106.837 0.143 17775 5185 1 9 . 1 1 64 64 GLY C C 339 175.240 175.240 176.187 -0.947 17775 5186 1 9 . 1 1 64 64 GLY CA C 339 47.190 47.190 47.210 -0.020 17775 5187 1 9 . 1 1 64 64 GLY H H 339 8.070 8.070 7.928 0.142 17775 5188 1 9 . 1 1 65 65 VAL N N 340 120.660 120.660 122.139 -1.479 17775 5189 1 9 . 1 1 65 65 VAL HA H 340 3.780 3.780 3.645 0.135 17775 5190 1 9 . 1 1 65 65 VAL C C 340 176.960 176.960 178.240 -1.280 17775 5191 1 9 . 1 1 65 65 VAL CA C 340 65.620 65.620 66.091 -0.471 17775 5192 1 9 . 1 1 65 65 VAL CB C 340 31.690 31.690 31.448 0.242 17775 5193 1 9 . 1 1 65 65 VAL H H 340 8.100 8.100 7.784 0.316 17775 5194 1 9 . 1 1 66 66 SER N N 341 112.150 112.150 116.060 -3.910 17775 5195 1 9 . 1 1 66 66 SER HA H 341 4.000 4.000 4.029 -0.029 17775 5196 1 9 . 1 1 66 66 SER C C 341 175.860 175.860 176.720 -0.860 17775 5197 1 9 . 1 1 66 66 SER CA C 341 61.240 61.240 61.897 -0.657 17775 5198 1 9 . 1 1 66 66 SER CB C 341 63.260 63.260 63.122 0.138 17775 5199 1 9 . 1 1 66 66 SER H H 341 7.810 7.810 7.804 0.005 17775 5200 1 9 . 1 1 67 67 HIS N N 342 118.910 118.910 121.004 -2.094 17775 5201 1 9 . 1 1 67 67 HIS HA H 342 4.440 4.440 4.231 0.209 17775 5202 1 9 . 1 1 67 67 HIS C C 342 177.780 177.780 177.954 -0.174 17775 5203 1 9 . 1 1 67 67 HIS CA C 342 59.160 59.160 59.807 -0.647 17775 5204 1 9 . 1 1 67 67 HIS CB C 342 30.400 30.400 29.929 0.471 17775 5205 1 9 . 1 1 67 67 HIS H H 342 7.830 7.830 7.810 0.020 17775 5206 1 9 . 1 1 68 68 ASP N N 343 120.590 120.590 120.080 0.510 17775 5207 1 9 . 1 1 68 68 ASP HA H 343 4.440 4.440 4.349 0.091 17775 5208 1 9 . 1 1 68 68 ASP C C 343 178.470 178.470 178.840 -0.370 17775 5209 1 9 . 1 1 68 68 ASP CA C 343 57.500 57.500 57.199 0.301 17775 5210 1 9 . 1 1 68 68 ASP CB C 343 39.880 39.880 40.477 -0.597 17775 5211 1 9 . 1 1 68 68 ASP H H 343 8.580 8.580 7.954 0.626 17775 5212 1 9 . 1 1 69 69 LEU N N 344 117.900 117.900 119.958 -2.058 17775 5213 1 9 . 1 1 69 69 LEU HA H 344 4.190 4.190 3.983 0.207 17775 5214 1 9 . 1 1 69 69 LEU C C 344 177.010 177.010 178.344 -1.334 17775 5215 1 9 . 1 1 69 69 LEU CA C 344 56.810 56.810 57.316 -0.506 17775 5216 1 9 . 1 1 69 69 LEU CB C 344 43.300 43.300 41.502 1.798 17775 5217 1 9 . 1 1 69 69 LEU H H 344 8.300 8.300 7.985 0.315 17775 5218 1 9 . 1 1 70 70 ARG N N 345 114.380 114.380 119.024 -4.644 17775 5219 1 9 . 1 1 70 70 ARG HA H 345 3.930 3.930 3.936 -0.006 17775 5220 1 9 . 1 1 70 70 ARG C C 345 178.840 178.840 178.219 0.621 17775 5221 1 9 . 1 1 70 70 ARG CA C 345 59.420 59.420 59.764 -0.344 17775 5222 1 9 . 1 1 70 70 ARG CB C 345 30.210 30.210 29.956 0.254 17775 5223 1 9 . 1 1 70 70 ARG H H 345 7.280 7.280 7.747 -0.467 17775 5224 1 9 . 1 1 71 71 THR N N 346 115.370 115.370 115.157 0.213 17775 5225 1 9 . 1 1 71 71 THR HA H 346 4.060 4.060 4.120 -0.060 17775 5226 1 9 . 1 1 71 71 THR CA C 346 68.800 68.800 68.805 -0.005 17775 5227 1 9 . 1 1 71 71 THR CB C 346 66.590 66.590 66.430 0.161 17775 5228 1 9 . 1 1 71 71 THR H H 346 7.540 7.540 7.722 -0.182 17775 5229 1 9 . 1 1 72 72 PRO HA H 347 4.090 4.090 4.257 -0.167 17775 5230 1 9 . 1 1 72 72 PRO CA C 347 65.860 65.860 65.838 0.022 17775 5231 1 9 . 1 1 72 72 PRO CB C 347 31.380 31.380 31.254 0.126 17775 5232 1 9 . 1 1 73 73 LEU N N 348 114.830 114.830 118.791 -3.961 17775 5233 1 9 . 1 1 73 73 LEU HA H 348 3.950 3.950 3.919 0.031 17775 5234 1 9 . 1 1 73 73 LEU C C 348 179.120 179.120 179.416 -0.296 17775 5235 1 9 . 1 1 73 73 LEU CA C 348 58.450 58.450 58.108 0.342 17775 5236 1 9 . 1 1 73 73 LEU CB C 348 41.320 41.320 41.507 -0.187 17775 5237 1 9 . 1 1 73 73 LEU H H 348 6.970 6.970 7.725 -0.755 17775 5238 1 9 . 1 1 74 74 THR N N 349 116.230 116.230 114.814 1.416 17775 5239 1 9 . 1 1 74 74 THR HA H 349 3.880 3.880 3.928 -0.048 17775 5240 1 9 . 1 1 74 74 THR C C 349 176.100 176.100 176.978 -0.878 17775 5241 1 9 . 1 1 74 74 THR CA C 349 66.760 66.760 66.780 -0.020 17775 5242 1 9 . 1 1 74 74 THR CB C 349 68.770 68.770 68.385 0.385 17775 5243 1 9 . 1 1 74 74 THR H H 349 8.090 8.090 7.958 0.132 17775 5244 1 9 . 1 1 75 75 ARG N N 350 121.190 121.190 121.319 -0.129 17775 5245 1 9 . 1 1 75 75 ARG HA H 350 3.970 3.970 4.030 -0.060 17775 5246 1 9 . 1 1 75 75 ARG C C 350 180.130 180.130 178.773 1.357 17775 5247 1 9 . 1 1 75 75 ARG CA C 350 61.030 61.030 59.617 1.413 17775 5248 1 9 . 1 1 75 75 ARG CB C 350 31.080 31.080 29.998 1.082 17775 5249 1 9 . 1 1 75 75 ARG H H 350 7.570 7.570 7.589 -0.019 17775 5250 1 9 . 1 1 76 76 ILE N N 351 122.150 122.150 120.026 2.124 17775 5251 1 9 . 1 1 76 76 ILE HA H 351 3.700 3.700 3.644 0.056 17775 5252 1 9 . 1 1 76 76 ILE C C 351 177.070 177.070 177.730 -0.660 17775 5253 1 9 . 1 1 76 76 ILE CA C 351 65.560 65.560 65.279 0.281 17775 5254 1 9 . 1 1 76 76 ILE CB C 351 37.650 37.650 37.496 0.154 17775 5255 1 9 . 1 1 76 76 ILE H H 351 8.060 8.060 7.936 0.124 17775 5256 1 9 . 1 1 77 77 ARG N N 352 120.120 120.120 120.405 -0.285 17775 5257 1 9 . 1 1 77 77 ARG HA H 352 3.930 3.930 4.045 -0.115 17775 5258 1 9 . 1 1 77 77 ARG C C 352 179.580 179.580 179.069 0.511 17775 5259 1 9 . 1 1 77 77 ARG CA C 352 59.340 59.340 59.398 -0.058 17775 5260 1 9 . 1 1 77 77 ARG CB C 352 29.690 29.690 30.263 -0.573 17775 5261 1 9 . 1 1 77 77 ARG H H 352 7.700 7.700 7.684 0.016 17775 5262 1 9 . 1 1 78 78 LEU N N 353 119.970 119.970 119.251 0.719 17775 5263 1 9 . 1 1 78 78 LEU HA H 353 4.000 4.000 3.980 0.020 17775 5264 1 9 . 1 1 78 78 LEU C C 353 179.600 179.600 178.677 0.923 17775 5265 1 9 . 1 1 78 78 LEU CA C 353 57.910 57.910 58.276 -0.366 17775 5266 1 9 . 1 1 78 78 LEU CB C 353 41.430 41.430 41.764 -0.334 17775 5267 1 9 . 1 1 78 78 LEU H H 353 8.260 8.260 7.775 0.485 17775 5268 1 9 . 1 1 79 79 ALA N N 354 122.390 122.390 120.199 2.191 17775 5269 1 9 . 1 1 79 79 ALA HA H 354 4.070 4.070 4.015 0.055 17775 5270 1 9 . 1 1 79 79 ALA C C 354 180.620 180.620 179.329 1.291 17775 5271 1 9 . 1 1 79 79 ALA CA C 354 55.270 55.270 55.077 0.193 17775 5272 1 9 . 1 1 79 79 ALA CB C 354 18.030 18.030 18.426 -0.396 17775 5273 1 9 . 1 1 79 79 ALA H H 354 7.850 7.850 7.856 -0.006 17775 5274 1 9 . 1 1 80 80 THR N N 355 107.540 107.540 110.423 -2.883 17775 5275 1 9 . 1 1 80 80 THR HA H 355 3.990 3.990 4.065 -0.075 17775 5276 1 9 . 1 1 80 80 THR C C 355 177.250 177.250 175.777 1.473 17775 5277 1 9 . 1 1 80 80 THR CA C 355 64.970 64.970 64.759 0.211 17775 5278 1 9 . 1 1 80 80 THR CB C 355 69.020 69.020 68.432 0.588 17775 5279 1 9 . 1 1 80 80 THR H H 355 7.930 7.930 8.098 -0.168 17775 5280 1 9 . 1 1 81 81 GLU N N 356 120.380 120.380 118.607 1.773 17775 5281 1 9 . 1 1 81 81 GLU HA H 356 4.090 4.090 4.241 -0.151 17775 5282 1 9 . 1 1 81 81 GLU C C 356 177.280 177.280 177.449 -0.169 17775 5283 1 9 . 1 1 81 81 GLU CA C 356 58.020 58.020 57.679 0.341 17775 5284 1 9 . 1 1 81 81 GLU CB C 356 29.490 29.490 29.363 0.127 17775 5285 1 9 . 1 1 81 81 GLU H H 356 7.380 7.380 7.639 -0.259 17775 5286 1 9 . 1 1 82 82 MET N N 357 115.510 115.510 116.829 -1.319 17775 5287 1 9 . 1 1 82 82 MET HA H 357 4.480 4.480 4.304 0.176 17775 5288 1 9 . 1 1 82 82 MET C C 357 176.140 176.140 176.906 -0.766 17775 5289 1 9 . 1 1 82 82 MET CA C 357 54.810 54.810 55.957 -1.147 17775 5290 1 9 . 1 1 82 82 MET CB C 357 32.660 32.660 33.450 -0.790 17775 5291 1 9 . 1 1 82 82 MET H H 357 7.480 7.480 7.345 0.135 17775 5292 1 9 . 1 1 83 83 MET N N 358 119.530 119.530 118.382 1.148 17775 5293 1 9 . 1 1 83 83 MET HA H 358 4.020 4.020 4.268 -0.248 17775 5294 1 9 . 1 1 83 83 MET C C 358 175.670 175.670 175.880 -0.210 17775 5295 1 9 . 1 1 83 83 MET CA C 358 57.430 57.430 56.076 1.354 17775 5296 1 9 . 1 1 83 83 MET CB C 358 33.860 33.860 33.130 0.730 17775 5297 1 9 . 1 1 83 83 MET H H 358 7.010 7.010 7.400 -0.390 17775 5298 1 9 . 1 1 84 84 SER N N 359 119.110 119.110 118.000 1.110 17775 5299 1 9 . 1 1 84 84 SER HA H 359 4.300 4.300 4.570 -0.270 17775 5300 1 9 . 1 1 84 84 SER C C 359 176.160 176.160 175.507 0.653 17775 5301 1 9 . 1 1 84 84 SER CA C 359 59.170 59.170 57.640 1.530 17775 5302 1 9 . 1 1 84 84 SER CB C 359 64.540 64.540 64.415 0.125 17775 5303 1 9 . 1 1 84 84 SER H H 359 9.630 9.630 8.108 1.522 17775 5304 1 9 . 1 1 85 85 GLU N N 360 124.090 124.090 121.355 2.735 17775 5305 1 9 . 1 1 85 85 GLU CA C 360 58.880 58.880 58.968 -0.088 17775 5306 1 9 . 1 1 85 85 GLU CB C 360 29.560 29.560 29.391 0.169 17775 5307 1 9 . 1 1 85 85 GLU H H 360 8.810 8.810 9.000 -0.190 17775 5308 1 9 . 1 1 86 86 GLN HA H 361 4.220 4.220 4.194 0.026 17775 5309 1 9 . 1 1 86 86 GLN C C 361 176.370 176.370 177.000 -0.630 17775 5310 1 9 . 1 1 86 86 GLN CA C 361 58.440 58.440 58.059 0.380 17775 5311 1 9 . 1 1 86 86 GLN CB C 361 28.290 28.290 28.807 -0.517 17775 5312 1 9 . 1 1 87 87 ASP N N 362 118.700 118.700 118.002 0.698 17775 5313 1 9 . 1 1 87 87 ASP HA H 362 5.070 5.070 4.498 0.572 17775 5314 1 9 . 1 1 87 87 ASP C C 362 176.740 176.740 176.214 0.526 17775 5315 1 9 . 1 1 87 87 ASP CA C 362 53.710 53.710 52.971 0.739 17775 5316 1 9 . 1 1 87 87 ASP CB C 362 40.980 40.980 40.722 0.258 17775 5317 1 9 . 1 1 87 87 ASP H H 362 7.640 7.640 7.589 0.051 17775 5318 1 9 . 1 1 88 88 GLY N N 363 110.410 110.410 109.116 1.294 17775 5319 1 9 . 1 1 88 88 GLY CA C 363 47.890 47.890 47.411 0.479 17775 5320 1 9 . 1 1 88 88 GLY H H 363 7.940 7.940 7.960 -0.020 17775 5321 1 9 . 1 1 89 89 TYR HA H 364 4.430 4.430 4.390 0.040 17775 5322 1 9 . 1 1 89 89 TYR C C 364 177.600 177.600 177.466 0.134 17775 5323 1 9 . 1 1 89 89 TYR CA C 364 59.970 59.970 58.975 0.995 17775 5324 1 9 . 1 1 89 89 TYR CB C 364 37.100 37.100 37.117 -0.017 17775 5325 1 9 . 1 1 89 89 TYR H H 364 8.470 8.470 8.096 0.374 17775 5326 1 9 . 1 1 90 90 LEU N N 365 124.000 124.000 119.665 4.335 17775 5327 1 9 . 1 1 90 90 LEU HA H 365 3.920 3.920 4.020 -0.100 17775 5328 1 9 . 1 1 90 90 LEU C C 365 178.180 178.180 178.608 -0.428 17775 5329 1 9 . 1 1 90 90 LEU CA C 365 57.050 57.050 56.606 0.444 17775 5330 1 9 . 1 1 90 90 LEU CB C 365 41.930 41.930 41.560 0.370 17775 5331 1 9 . 1 1 90 90 LEU H H 365 7.080 7.080 7.078 0.002 17775 5332 1 9 . 1 1 91 91 ALA N N 366 123.150 123.150 122.156 0.994 17775 5333 1 9 . 1 1 91 91 ALA HA H 366 3.790 3.790 3.981 -0.191 17775 5334 1 9 . 1 1 91 91 ALA C C 366 179.610 179.610 179.613 -0.003 17775 5335 1 9 . 1 1 91 91 ALA CA C 366 55.910 55.910 54.755 1.155 17775 5336 1 9 . 1 1 91 91 ALA CB C 366 18.450 18.450 18.249 0.201 17775 5337 1 9 . 1 1 91 91 ALA H H 366 7.880 7.880 7.531 0.349 17775 5338 1 9 . 1 1 92 92 GLU N N 367 116.750 116.750 118.483 -1.733 17775 5339 1 9 . 1 1 92 92 GLU HA H 367 4.010 4.010 4.135 -0.125 17775 5340 1 9 . 1 1 92 92 GLU C C 367 177.910 177.910 179.226 -1.316 17775 5341 1 9 . 1 1 92 92 GLU CA C 367 59.420 59.420 59.482 -0.062 17775 5342 1 9 . 1 1 92 92 GLU CB C 367 29.620 29.620 29.513 0.107 17775 5343 1 9 . 1 1 92 92 GLU H H 367 8.100 8.100 8.085 0.015 17775 5344 1 9 . 1 1 93 93 SER N N 368 115.480 115.480 115.933 -0.453 17775 5345 1 9 . 1 1 93 93 SER HA H 368 4.060 4.060 4.210 -0.150 17775 5346 1 9 . 1 1 93 93 SER C C 368 176.360 176.360 176.731 -0.371 17775 5347 1 9 . 1 1 93 93 SER CA C 368 61.610 61.610 61.540 0.070 17775 5348 1 9 . 1 1 93 93 SER CB C 368 63.080 63.080 62.943 0.137 17775 5349 1 9 . 1 1 93 93 SER H H 368 7.520 7.520 7.568 -0.048 17775 5350 1 9 . 1 1 94 94 ILE N N 369 121.710 121.710 122.021 -0.311 17775 5351 1 9 . 1 1 94 94 ILE HA H 369 4.000 4.000 3.991 0.009 17775 5352 1 9 . 1 1 94 94 ILE C C 369 178.000 178.000 177.808 0.192 17775 5353 1 9 . 1 1 94 94 ILE CA C 369 65.470 65.470 64.847 0.623 17775 5354 1 9 . 1 1 94 94 ILE CB C 369 38.030 38.030 37.652 0.378 17775 5355 1 9 . 1 1 94 94 ILE H H 369 8.400 8.400 7.443 0.957 17775 5356 1 9 . 1 1 95 95 ASN N N 370 117.810 117.810 118.707 -0.897 17775 5357 1 9 . 1 1 95 95 ASN HA H 370 4.290 4.290 4.339 -0.049 17775 5358 1 9 . 1 1 95 95 ASN C C 370 179.730 179.730 177.269 2.461 17775 5359 1 9 . 1 1 95 95 ASN CA C 370 57.340 57.340 57.087 0.254 17775 5360 1 9 . 1 1 95 95 ASN CB C 370 38.280 38.280 38.264 0.016 17775 5361 1 9 . 1 1 95 95 ASN H H 370 8.270 8.270 8.075 0.195 17775 5362 1 9 . 1 1 96 96 LYS N N 371 121.220 121.220 120.488 0.732 17775 5363 1 9 . 1 1 96 96 LYS HA H 371 4.090 4.090 3.983 0.107 17775 5364 1 9 . 1 1 96 96 LYS C C 371 179.250 179.250 178.167 1.083 17775 5365 1 9 . 1 1 96 96 LYS CA C 371 59.650 59.650 59.383 0.267 17775 5366 1 9 . 1 1 96 96 LYS CB C 371 31.730 31.730 32.337 -0.606 17775 5367 1 9 . 1 1 96 96 LYS H H 371 7.960 7.960 7.839 0.121 17775 5368 1 9 . 1 1 97 97 ASP N N 372 122.870 122.870 119.804 3.066 17775 5369 1 9 . 1 1 97 97 ASP HA H 372 4.060 4.060 4.418 -0.358 17775 5370 1 9 . 1 1 97 97 ASP C C 372 179.300 179.300 178.732 0.568 17775 5371 1 9 . 1 1 97 97 ASP CA C 372 58.400 58.400 57.377 1.023 17775 5372 1 9 . 1 1 97 97 ASP CB C 372 41.130 41.130 40.449 0.681 17775 5373 1 9 . 1 1 97 97 ASP H H 372 7.920 7.920 7.727 0.193 17775 5374 1 9 . 1 1 98 98 ILE N N 373 123.090 123.090 119.788 3.302 17775 5375 1 9 . 1 1 98 98 ILE HA H 373 3.620 3.620 3.757 -0.137 17775 5376 1 9 . 1 1 98 98 ILE C C 373 178.330 178.330 178.067 0.263 17775 5377 1 9 . 1 1 98 98 ILE CA C 373 65.080 65.080 63.429 1.651 17775 5378 1 9 . 1 1 98 98 ILE CB C 373 37.260 37.260 36.828 0.432 17775 5379 1 9 . 1 1 98 98 ILE H H 373 8.720 8.720 7.806 0.914 17775 5380 1 9 . 1 1 99 99 GLU N N 374 120.550 120.550 120.655 -0.105 17775 5381 1 9 . 1 1 99 99 GLU HA H 374 4.120 4.120 3.898 0.222 17775 5382 1 9 . 1 1 99 99 GLU C C 374 179.740 179.740 178.690 1.050 17775 5383 1 9 . 1 1 99 99 GLU CA C 374 59.570 59.570 60.055 -0.485 17775 5384 1 9 . 1 1 99 99 GLU CB C 374 28.910 28.910 29.401 -0.491 17775 5385 1 9 . 1 1 99 99 GLU H H 374 8.100 8.100 7.975 0.125 17775 5386 1 9 . 1 1 100 100 GLU N N 375 122.040 122.040 119.668 2.372 17775 5387 1 9 . 1 1 100 100 GLU HA H 375 4.140 4.140 4.048 0.092 17775 5388 1 9 . 1 1 100 100 GLU C C 375 178.810 178.810 178.910 -0.100 17775 5389 1 9 . 1 1 100 100 GLU CA C 375 59.830 59.830 59.356 0.474 17775 5390 1 9 . 1 1 100 100 GLU CB C 375 29.220 29.220 29.653 -0.433 17775 5391 1 9 . 1 1 100 100 GLU H H 375 8.060 8.060 7.828 0.232 17775 5392 1 9 . 1 1 101 101 CYS N N 376 117.330 117.330 117.512 -0.182 17775 5393 1 9 . 1 1 101 101 CYS HA H 376 3.960 3.960 4.035 -0.075 17775 5394 1 9 . 1 1 101 101 CYS C C 376 176.540 176.540 176.891 -0.351 17775 5395 1 9 . 1 1 101 101 CYS CA C 376 64.510 64.510 64.607 -0.097 17775 5396 1 9 . 1 1 101 101 CYS CB C 376 27.270 27.270 27.577 -0.307 17775 5397 1 9 . 1 1 101 101 CYS H H 376 8.130 8.130 7.907 0.223 17775 5398 1 9 . 1 1 102 102 ASN N N 377 117.140 117.140 118.047 -0.907 17775 5399 1 9 . 1 1 102 102 ASN HA H 377 4.290 4.290 4.423 -0.133 17775 5400 1 9 . 1 1 102 102 ASN C C 377 176.980 176.980 176.938 0.042 17775 5401 1 9 . 1 1 102 102 ASN CA C 377 56.460 56.460 56.266 0.194 17775 5402 1 9 . 1 1 102 102 ASN CB C 377 38.440 38.440 38.387 0.053 17775 5403 1 9 . 1 1 102 102 ASN H H 377 8.430 8.430 8.021 0.409 17775 5404 1 9 . 1 1 103 103 ALA N N 378 123.350 123.350 122.739 0.611 17775 5405 1 9 . 1 1 103 103 ALA HA H 378 4.130 4.130 4.065 0.065 17775 5406 1 9 . 1 1 103 103 ALA C C 378 180.510 180.510 179.688 0.822 17775 5407 1 9 . 1 1 103 103 ALA CA C 378 55.120 55.120 55.012 0.108 17775 5408 1 9 . 1 1 103 103 ALA CB C 378 17.960 17.960 18.595 -0.635 17775 5409 1 9 . 1 1 103 103 ALA H H 378 8.130 8.130 7.760 0.370 17775 5410 1 9 . 1 1 104 104 ILE N N 379 120.880 120.880 119.124 1.756 17775 5411 1 9 . 1 1 104 104 ILE HA H 379 3.680 3.680 3.608 0.072 17775 5412 1 9 . 1 1 104 104 ILE C C 379 178.260 178.260 178.118 0.142 17775 5413 1 9 . 1 1 104 104 ILE CA C 379 64.860 64.860 65.780 -0.920 17775 5414 1 9 . 1 1 104 104 ILE CB C 379 38.080 38.080 38.012 0.068 17775 5415 1 9 . 1 1 104 104 ILE H H 379 8.010 8.010 7.684 0.326 17775 5416 1 9 . 1 1 105 105 ILE N N 380 119.970 119.970 120.044 -0.074 17775 5417 1 9 . 1 1 105 105 ILE HA H 380 3.430 3.430 3.759 -0.329 17775 5418 1 9 . 1 1 105 105 ILE C C 380 177.660 177.660 178.043 -0.383 17775 5419 1 9 . 1 1 105 105 ILE CA C 380 65.490 65.490 65.952 -0.462 17775 5420 1 9 . 1 1 105 105 ILE CB C 380 38.060 38.060 37.604 0.456 17775 5421 1 9 . 1 1 105 105 ILE H H 380 8.060 8.060 7.793 0.267 17775 5422 1 9 . 1 1 106 106 GLU N N 381 118.640 118.640 120.216 -1.576 17775 5423 1 9 . 1 1 106 106 GLU HA H 381 3.970 3.970 3.845 0.125 17775 5424 1 9 . 1 1 106 106 GLU C C 381 178.440 178.440 178.859 -0.419 17775 5425 1 9 . 1 1 106 106 GLU CA C 381 59.260 59.260 59.992 -0.733 17775 5426 1 9 . 1 1 106 106 GLU CB C 381 29.570 29.570 29.622 -0.052 17775 5427 1 9 . 1 1 106 106 GLU H H 381 8.140 8.140 8.095 0.045 17775 5428 1 9 . 1 1 107 107 GLN N N 382 117.770 117.770 118.482 -0.712 17775 5429 1 9 . 1 1 107 107 GLN HA H 382 4.040 4.040 4.008 0.032 17775 5430 1 9 . 1 1 107 107 GLN C C 382 177.550 177.550 178.776 -1.226 17775 5431 1 9 . 1 1 107 107 GLN CA C 382 58.170 58.170 58.785 -0.615 17775 5432 1 9 . 1 1 107 107 GLN CB C 382 28.770 28.770 28.596 0.174 17775 5433 1 9 . 1 1 107 107 GLN H H 382 7.710 7.710 7.793 -0.083 17775 5434 1 9 . 1 1 108 108 PHE N N 383 118.750 118.750 119.364 -0.614 17775 5435 1 9 . 1 1 108 108 PHE HA H 383 4.490 4.490 4.215 0.275 17775 5436 1 9 . 1 1 108 108 PHE C C 383 176.570 176.570 178.029 -1.459 17775 5437 1 9 . 1 1 108 108 PHE CA C 383 59.360 59.360 62.373 -3.013 17775 5438 1 9 . 1 1 108 108 PHE CB C 383 38.760 38.760 38.807 -0.047 17775 5439 1 9 . 1 1 108 108 PHE H H 383 7.880 7.880 7.831 0.049 17775 5440 1 9 . 1 1 109 109 ILE N N 384 118.200 118.200 118.891 -0.691 17775 5441 1 9 . 1 1 109 109 ILE HA H 384 3.720 3.720 3.835 -0.115 17775 5442 1 9 . 1 1 109 109 ILE C C 384 177.450 177.450 177.176 0.274 17775 5443 1 9 . 1 1 109 109 ILE CA C 384 64.280 64.280 64.761 -0.481 17775 5444 1 9 . 1 1 109 109 ILE CB C 384 37.870 37.870 37.984 -0.114 17775 5445 1 9 . 1 1 109 109 ILE H H 384 7.950 7.950 7.806 0.144 17775 5446 1 9 . 1 1 110 110 ASP N N 385 119.750 119.750 118.411 1.339 17775 5447 1 9 . 1 1 110 110 ASP HA H 385 4.440 4.440 4.381 0.059 17775 5448 1 9 . 1 1 110 110 ASP C C 385 177.620 177.620 177.811 -0.191 17775 5449 1 9 . 1 1 110 110 ASP CA C 385 56.500 56.500 56.792 -0.292 17775 5450 1 9 . 1 1 110 110 ASP CB C 385 40.860 40.860 41.235 -0.375 17775 5451 1 9 . 1 1 110 110 ASP H H 385 7.840 7.840 7.868 -0.028 17775 5452 1 9 . 1 1 111 111 TYR N N 386 118.370 118.370 118.465 -0.095 17775 5453 1 9 . 1 1 111 111 TYR HA H 386 4.430 4.430 4.283 0.147 17775 5454 1 9 . 1 1 111 111 TYR C C 386 176.320 176.320 176.409 -0.089 17775 5455 1 9 . 1 1 111 111 TYR CA C 386 58.940 58.940 60.754 -1.814 17775 5456 1 9 . 1 1 111 111 TYR CB C 386 38.440 38.440 39.304 -0.864 17775 5457 1 9 . 1 1 111 111 TYR H H 386 7.760 7.760 7.753 0.007 17775 5458 1 9 . 1 1 112 112 LEU N N 387 119.730 119.730 119.300 0.430 17775 5459 1 9 . 1 1 112 112 LEU HA H 387 4.230 4.230 4.468 -0.238 17775 5460 1 9 . 1 1 112 112 LEU C C 387 175.900 175.900 176.208 -0.308 17775 5461 1 9 . 1 1 112 112 LEU CA C 387 55.090 55.090 54.580 0.510 17775 5462 1 9 . 1 1 112 112 LEU CB C 387 42.670 42.670 43.058 -0.388 17775 5463 1 9 . 1 1 112 112 LEU H H 387 7.660 7.660 7.665 -0.005 17775 5464 1 10 . 1 1 5 5 ILE HA H 280 4.190 4.190 3.950 0.240 17775 5465 1 10 . 1 1 5 5 ILE CA C 280 61.650 61.650 63.582 -1.932 17775 5466 1 10 . 1 1 5 5 ILE CB C 280 38.520 38.520 37.706 0.814 17775 5467 1 10 . 1 1 6 6 THR HA H 281 4.340 4.340 3.938 0.402 17775 5468 1 10 . 1 1 6 6 THR CA C 281 62.680 62.680 66.221 -3.541 17775 5469 1 10 . 1 1 6 6 THR CB C 281 69.630 69.630 68.418 1.212 17775 5470 1 10 . 1 1 8 8 PRO HA H 283 4.230 4.230 4.619 -0.389 17775 5471 1 10 . 1 1 8 8 PRO CA C 283 65.940 65.940 65.814 0.126 17775 5472 1 10 . 1 1 8 8 PRO CB C 283 30.730 30.730 30.884 -0.155 17775 5473 1 10 . 1 1 9 9 ILE N N 284 115.670 115.670 117.970 -2.300 17775 5474 1 10 . 1 1 9 9 ILE HA H 284 3.420 3.420 3.869 -0.449 17775 5475 1 10 . 1 1 9 9 ILE C C 284 177.820 177.820 178.308 -0.488 17775 5476 1 10 . 1 1 9 9 ILE CA C 284 65.540 65.540 63.948 1.592 17775 5477 1 10 . 1 1 9 9 ILE CB C 284 36.810 36.810 36.732 0.078 17775 5478 1 10 . 1 1 9 9 ILE H H 284 7.300 7.300 7.453 -0.153 17775 5479 1 10 . 1 1 10 10 ILE N N 285 121.880 121.880 121.404 0.476 17775 5480 1 10 . 1 1 10 10 ILE HA H 285 3.800 3.800 3.811 -0.011 17775 5481 1 10 . 1 1 10 10 ILE C C 285 177.690 177.690 179.006 -1.316 17775 5482 1 10 . 1 1 10 10 ILE CA C 285 62.880 62.880 63.170 -0.290 17775 5483 1 10 . 1 1 10 10 ILE CB C 285 36.560 36.560 36.513 0.048 17775 5484 1 10 . 1 1 10 10 ILE H H 285 7.880 7.880 7.804 0.076 17775 5485 1 10 . 1 1 11 11 GLU N N 286 120.580 120.580 120.405 0.175 17775 5486 1 10 . 1 1 11 11 GLU HA H 286 4.080 4.080 4.060 0.020 17775 5487 1 10 . 1 1 11 11 GLU C C 286 180.980 180.980 179.645 1.335 17775 5488 1 10 . 1 1 11 11 GLU CA C 286 59.630 59.630 59.764 -0.134 17775 5489 1 10 . 1 1 11 11 GLU CB C 286 29.550 29.550 29.564 -0.014 17775 5490 1 10 . 1 1 11 11 GLU H H 286 8.450 8.450 7.842 0.608 17775 5491 1 10 . 1 1 12 12 LEU N N 287 121.340 121.340 119.768 1.572 17775 5492 1 10 . 1 1 12 12 LEU HA H 287 4.010 4.010 4.053 -0.043 17775 5493 1 10 . 1 1 12 12 LEU C C 287 178.030 178.030 178.956 -0.926 17775 5494 1 10 . 1 1 12 12 LEU CA C 287 58.310 58.310 58.289 0.021 17775 5495 1 10 . 1 1 12 12 LEU CB C 287 42.050 42.050 41.909 0.141 17775 5496 1 10 . 1 1 12 12 LEU H H 287 8.490 8.490 8.259 0.231 17775 5497 1 10 . 1 1 13 13 SER N N 288 117.590 117.590 115.533 2.057 17775 5498 1 10 . 1 1 13 13 SER HA H 288 4.190 4.190 4.074 0.116 17775 5499 1 10 . 1 1 13 13 SER C C 288 175.660 175.660 176.896 -1.236 17775 5500 1 10 . 1 1 13 13 SER CA C 288 61.670 61.670 62.080 -0.410 17775 5501 1 10 . 1 1 13 13 SER CB C 288 62.490 62.490 62.646 -0.156 17775 5502 1 10 . 1 1 13 13 SER H H 288 8.330 8.330 8.264 0.066 17775 5503 1 10 . 1 1 14 14 ASN N N 289 119.150 119.150 121.105 -1.955 17775 5504 1 10 . 1 1 14 14 ASN HA H 289 4.450 4.450 4.568 -0.118 17775 5505 1 10 . 1 1 14 14 ASN C C 289 178.480 178.480 177.983 0.497 17775 5506 1 10 . 1 1 14 14 ASN CA C 289 55.870 55.870 56.246 -0.376 17775 5507 1 10 . 1 1 14 14 ASN CB C 289 38.090 38.090 38.246 -0.156 17775 5508 1 10 . 1 1 14 14 ASN H H 289 8.650 8.650 8.371 0.279 17775 5509 1 10 . 1 1 15 15 THR N N 290 117.650 117.650 117.016 0.634 17775 5510 1 10 . 1 1 15 15 THR HA H 290 3.830 3.830 3.970 -0.140 17775 5511 1 10 . 1 1 15 15 THR C C 290 175.030 175.030 176.042 -1.012 17775 5512 1 10 . 1 1 15 15 THR CA C 290 67.790 67.790 66.951 0.839 17775 5513 1 10 . 1 1 15 15 THR CB C 290 68.660 68.660 68.686 -0.026 17775 5514 1 10 . 1 1 15 15 THR H H 290 8.040 8.040 7.960 0.080 17775 5515 1 10 . 1 1 16 16 ALA N N 291 124.470 124.470 124.555 -0.085 17775 5516 1 10 . 1 1 16 16 ALA HA H 291 3.850 3.850 3.928 -0.078 17775 5517 1 10 . 1 1 16 16 ALA C C 291 178.470 178.470 179.177 -0.707 17775 5518 1 10 . 1 1 16 16 ALA CA C 291 55.430 55.430 55.254 0.176 17775 5519 1 10 . 1 1 16 16 ALA CB C 291 17.820 17.820 18.218 -0.398 17775 5520 1 10 . 1 1 16 16 ALA H H 291 8.530 8.530 8.003 0.527 17775 5521 1 10 . 1 1 17 17 ASP N N 292 117.560 117.560 119.078 -1.518 17775 5522 1 10 . 1 1 17 17 ASP HA H 292 4.360 4.360 4.336 0.024 17775 5523 1 10 . 1 1 17 17 ASP C C 292 178.420 178.420 178.837 -0.417 17775 5524 1 10 . 1 1 17 17 ASP CA C 292 57.430 57.430 57.642 -0.213 17775 5525 1 10 . 1 1 17 17 ASP CB C 292 40.130 40.130 40.330 -0.200 17775 5526 1 10 . 1 1 17 17 ASP H H 292 8.290 8.290 8.034 0.256 17775 5527 1 10 . 1 1 18 18 LYS N N 293 119.100 119.100 120.018 -0.918 17775 5528 1 10 . 1 1 18 18 LYS HA H 293 4.010 4.010 4.332 -0.322 17775 5529 1 10 . 1 1 18 18 LYS C C 293 180.170 180.170 179.044 1.126 17775 5530 1 10 . 1 1 18 18 LYS CA C 293 59.020 59.020 59.222 -0.202 17775 5531 1 10 . 1 1 18 18 LYS CB C 293 32.270 32.270 32.533 -0.263 17775 5532 1 10 . 1 1 18 18 LYS H H 293 7.690 7.690 7.529 0.161 17775 5533 1 10 . 1 1 19 19 ILE N N 294 122.510 122.510 119.927 2.583 17775 5534 1 10 . 1 1 19 19 ILE HA H 294 3.690 3.690 4.053 -0.363 17775 5535 1 10 . 1 1 19 19 ILE C C 294 178.920 178.920 178.754 0.166 17775 5536 1 10 . 1 1 19 19 ILE CA C 294 64.400 64.400 64.856 -0.456 17775 5537 1 10 . 1 1 19 19 ILE CB C 294 38.320 38.320 37.917 0.403 17775 5538 1 10 . 1 1 19 19 ILE H H 294 8.220 8.220 7.853 0.367 17775 5539 1 10 . 1 1 20 20 ALA N N 295 123.270 123.270 122.074 1.196 17775 5540 1 10 . 1 1 20 20 ALA HA H 295 3.850 3.850 4.064 -0.214 17775 5541 1 10 . 1 1 20 20 ALA C C 295 179.390 179.390 179.000 0.390 17775 5542 1 10 . 1 1 20 20 ALA CA C 295 55.370 55.370 54.849 0.521 17775 5543 1 10 . 1 1 20 20 ALA CB C 295 17.880 17.880 18.334 -0.454 17775 5544 1 10 . 1 1 20 20 ALA H H 295 8.580 8.580 7.852 0.728 17775 5545 1 10 . 1 1 21 21 GLU N N 296 115.530 115.530 116.410 -0.880 17775 5546 1 10 . 1 1 21 21 GLU HA H 296 4.160 4.160 4.171 -0.011 17775 5547 1 10 . 1 1 21 21 GLU C C 296 176.560 176.560 177.695 -1.135 17775 5548 1 10 . 1 1 21 21 GLU CA C 296 56.400 56.400 56.465 -0.065 17775 5549 1 10 . 1 1 21 21 GLU CB C 296 29.830 29.830 29.768 0.062 17775 5550 1 10 . 1 1 21 21 GLU H H 296 7.680 7.680 7.776 -0.096 17775 5551 1 10 . 1 1 22 22 GLY N N 297 105.910 105.910 107.703 -1.793 17775 5552 1 10 . 1 1 22 22 GLY C C 297 174.160 174.160 174.317 -0.157 17775 5553 1 10 . 1 1 22 22 GLY CA C 297 45.040 45.040 44.603 0.437 17775 5554 1 10 . 1 1 22 22 GLY H H 297 7.820 7.820 7.957 -0.137 17775 5555 1 10 . 1 1 23 23 ASN N N 298 120.260 120.260 121.325 -1.065 17775 5556 1 10 . 1 1 23 23 ASN HA H 298 4.960 4.960 4.968 -0.008 17775 5557 1 10 . 1 1 23 23 ASN C C 298 174.560 174.560 175.947 -1.387 17775 5558 1 10 . 1 1 23 23 ASN CA C 298 51.800 51.800 52.135 -0.335 17775 5559 1 10 . 1 1 23 23 ASN CB C 298 36.750 36.750 37.708 -0.958 17775 5560 1 10 . 1 1 23 23 ASN H H 298 8.070 8.070 8.095 -0.025 17775 5561 1 10 . 1 1 24 24 LEU N N 299 119.750 119.750 122.608 -2.858 17775 5562 1 10 . 1 1 24 24 LEU HA H 299 3.950 3.950 4.042 -0.092 17775 5563 1 10 . 1 1 24 24 LEU C C 299 176.390 176.390 178.231 -1.841 17775 5564 1 10 . 1 1 24 24 LEU CA C 299 56.250 56.250 57.660 -1.410 17775 5565 1 10 . 1 1 24 24 LEU CB C 299 41.260 41.260 41.716 -0.456 17775 5566 1 10 . 1 1 24 24 LEU H H 299 7.850 7.850 7.544 0.306 17775 5567 1 10 . 1 1 25 25 GLU N N 300 114.210 114.210 117.340 -3.130 17775 5568 1 10 . 1 1 25 25 GLU HA H 300 4.230 4.230 4.214 0.016 17775 5569 1 10 . 1 1 25 25 GLU C C 300 176.050 176.050 176.113 -0.063 17775 5570 1 10 . 1 1 25 25 GLU CA C 300 55.640 55.640 56.284 -0.644 17775 5571 1 10 . 1 1 25 25 GLU CB C 300 29.410 29.410 29.285 0.125 17775 5572 1 10 . 1 1 25 25 GLU H H 300 7.840 7.840 8.467 -0.627 17775 5573 1 10 . 1 1 26 26 ALA N N 301 124.010 124.010 124.642 -0.632 17775 5574 1 10 . 1 1 26 26 ALA HA H 301 3.880 3.880 4.134 -0.254 17775 5575 1 10 . 1 1 26 26 ALA C C 301 175.390 175.390 176.971 -1.581 17775 5576 1 10 . 1 1 26 26 ALA CA C 301 52.890 52.890 52.395 0.495 17775 5577 1 10 . 1 1 26 26 ALA CB C 301 18.570 18.570 19.085 -0.515 17775 5578 1 10 . 1 1 26 26 ALA H H 301 6.770 6.770 7.302 -0.532 17775 5579 1 10 . 1 1 27 27 GLU N N 302 120.120 120.120 123.105 -2.985 17775 5580 1 10 . 1 1 27 27 GLU HA H 302 4.080 4.080 4.248 -0.168 17775 5581 1 10 . 1 1 27 27 GLU C C 302 176.510 176.510 176.146 0.364 17775 5582 1 10 . 1 1 27 27 GLU CA C 302 55.150 55.150 55.982 -0.832 17775 5583 1 10 . 1 1 27 27 GLU CB C 302 30.160 30.160 30.144 0.016 17775 5584 1 10 . 1 1 27 27 GLU H H 302 7.880 7.880 8.382 -0.502 17775 5585 1 10 . 1 1 28 28 VAL N N 303 129.020 129.020 124.535 4.485 17775 5586 1 10 . 1 1 28 28 VAL HA H 303 4.230 4.230 4.259 -0.029 17775 5587 1 10 . 1 1 28 28 VAL CA C 303 60.440 60.440 59.588 0.852 17775 5588 1 10 . 1 1 28 28 VAL CB C 303 31.760 31.760 31.432 0.328 17775 5589 1 10 . 1 1 28 28 VAL H H 303 8.890 8.890 8.211 0.679 17775 5590 1 10 . 1 1 29 29 PRO HA H 304 4.400 4.400 4.557 -0.157 17775 5591 1 10 . 1 1 29 29 PRO CA C 304 62.790 62.790 62.062 0.728 17775 5592 1 10 . 1 1 29 29 PRO CB C 304 32.120 32.120 32.744 -0.624 17775 5593 1 10 . 1 1 30 30 HIS N N 305 103.640 103.640 113.526 -9.886 17775 5594 1 10 . 1 1 30 30 HIS HA H 305 4.210 4.210 4.212 -0.002 17775 5595 1 10 . 1 1 30 30 HIS C C 305 175.590 175.590 176.711 -1.121 17775 5596 1 10 . 1 1 30 30 HIS CA C 305 57.950 57.950 57.464 0.486 17775 5597 1 10 . 1 1 30 30 HIS CB C 305 27.910 27.910 27.238 0.672 17775 5598 1 10 . 1 1 30 30 HIS H H 305 7.780 7.780 8.357 -0.577 17775 5599 1 10 . 1 1 31 31 GLN N N 306 114.840 114.840 117.472 -2.632 17775 5600 1 10 . 1 1 31 31 GLN HA H 306 3.990 3.990 4.122 -0.132 17775 5601 1 10 . 1 1 31 31 GLN C C 306 176.290 176.290 176.490 -0.200 17775 5602 1 10 . 1 1 31 31 GLN CA C 306 58.680 58.680 58.440 0.240 17775 5603 1 10 . 1 1 31 31 GLN CB C 306 30.630 30.630 28.712 1.918 17775 5604 1 10 . 1 1 31 31 GLN H H 306 8.010 8.010 8.412 -0.402 17775 5605 1 10 . 1 1 32 32 ASN N N 307 113.230 113.230 114.540 -1.310 17775 5606 1 10 . 1 1 32 32 ASN HA H 307 4.640 4.640 4.709 -0.069 17775 5607 1 10 . 1 1 32 32 ASN C C 307 175.610 175.610 175.543 0.067 17775 5608 1 10 . 1 1 32 32 ASN CA C 307 52.800 52.800 53.593 -0.792 17775 5609 1 10 . 1 1 32 32 ASN CB C 307 37.630 37.630 38.420 -0.790 17775 5610 1 10 . 1 1 32 32 ASN H H 307 8.360 8.360 8.377 -0.017 17775 5611 1 10 . 1 1 33 33 ARG N N 308 119.580 119.580 120.700 -1.120 17775 5612 1 10 . 1 1 33 33 ARG HA H 308 4.140 4.140 4.278 -0.138 17775 5613 1 10 . 1 1 33 33 ARG CA C 308 56.950 56.950 56.500 0.450 17775 5614 1 10 . 1 1 33 33 ARG CB C 308 33.030 33.030 31.014 2.016 17775 5615 1 10 . 1 1 33 33 ARG H H 308 7.160 7.160 7.391 -0.231 17775 5616 1 10 . 1 1 34 34 ALA HA H 309 4.530 4.530 4.274 0.256 17775 5617 1 10 . 1 1 34 34 ALA C C 309 176.610 176.610 177.023 -0.413 17775 5618 1 10 . 1 1 34 34 ALA CA C 309 51.650 51.650 52.666 -1.016 17775 5619 1 10 . 1 1 34 34 ALA CB C 309 18.830 18.830 19.164 -0.334 17775 5620 1 10 . 1 1 35 35 ASP N N 310 117.680 117.680 118.750 -1.070 17775 5621 1 10 . 1 1 35 35 ASP HA H 310 4.660 4.660 4.636 0.024 17775 5622 1 10 . 1 1 35 35 ASP C C 310 176.740 176.740 177.073 -0.333 17775 5623 1 10 . 1 1 35 35 ASP CA C 310 52.240 52.240 52.949 -0.709 17775 5624 1 10 . 1 1 35 35 ASP CB C 310 41.580 41.580 40.665 0.915 17775 5625 1 10 . 1 1 35 35 ASP H H 310 7.460 7.460 7.699 -0.239 17775 5626 1 10 . 1 1 36 36 GLU N N 311 118.110 118.110 117.343 0.767 17775 5627 1 10 . 1 1 36 36 GLU HA H 311 3.870 3.870 4.067 -0.197 17775 5628 1 10 . 1 1 36 36 GLU C C 311 177.440 177.440 178.435 -0.995 17775 5629 1 10 . 1 1 36 36 GLU CA C 311 60.460 60.460 59.789 0.671 17775 5630 1 10 . 1 1 36 36 GLU CB C 311 27.660 27.660 29.380 -1.720 17775 5631 1 10 . 1 1 36 36 GLU H H 311 9.910 9.910 8.673 1.237 17775 5632 1 10 . 1 1 37 37 ILE N N 312 118.790 118.790 119.495 -0.705 17775 5633 1 10 . 1 1 37 37 ILE HA H 312 3.570 3.570 3.870 -0.300 17775 5634 1 10 . 1 1 37 37 ILE C C 312 177.460 177.460 178.150 -0.690 17775 5635 1 10 . 1 1 37 37 ILE CA C 312 63.170 63.170 62.872 0.298 17775 5636 1 10 . 1 1 37 37 ILE CB C 312 35.770 35.770 36.693 -0.923 17775 5637 1 10 . 1 1 37 37 ILE H H 312 7.420 7.420 7.573 -0.153 17775 5638 1 10 . 1 1 38 38 GLY N N 313 108.320 108.320 109.206 -0.886 17775 5639 1 10 . 1 1 38 38 GLY C C 313 176.200 176.200 176.228 -0.028 17775 5640 1 10 . 1 1 38 38 GLY CA C 313 47.090 47.090 47.386 -0.296 17775 5641 1 10 . 1 1 38 38 GLY H H 313 7.510 7.510 7.940 -0.430 17775 5642 1 10 . 1 1 39 39 ILE N N 314 121.890 121.890 122.488 -0.598 17775 5643 1 10 . 1 1 39 39 ILE HA H 314 3.630 3.630 3.703 -0.073 17775 5644 1 10 . 1 1 39 39 ILE C C 314 179.070 179.070 177.614 1.456 17775 5645 1 10 . 1 1 39 39 ILE CA C 314 64.750 64.750 64.981 -0.231 17775 5646 1 10 . 1 1 39 39 ILE CB C 314 37.610 37.610 37.984 -0.374 17775 5647 1 10 . 1 1 39 39 ILE H H 314 7.390 7.390 7.725 -0.335 17775 5648 1 10 . 1 1 40 40 LEU N N 315 121.370 121.370 121.549 -0.179 17775 5649 1 10 . 1 1 40 40 LEU HA H 315 4.120 4.120 4.039 0.081 17775 5650 1 10 . 1 1 40 40 LEU C C 315 178.560 178.560 178.153 0.407 17775 5651 1 10 . 1 1 40 40 LEU CA C 315 57.620 57.620 57.919 -0.299 17775 5652 1 10 . 1 1 40 40 LEU CB C 315 41.490 41.490 41.629 -0.139 17775 5653 1 10 . 1 1 40 40 LEU H H 315 7.770 7.770 7.813 -0.043 17775 5654 1 10 . 1 1 41 41 ALA N N 316 123.480 123.480 121.456 2.024 17775 5655 1 10 . 1 1 41 41 ALA HA H 316 3.840 3.840 3.939 -0.099 17775 5656 1 10 . 1 1 41 41 ALA C C 316 179.700 179.700 179.533 0.167 17775 5657 1 10 . 1 1 41 41 ALA CA C 316 56.180 56.180 55.423 0.757 17775 5658 1 10 . 1 1 41 41 ALA CB C 316 19.870 19.870 18.307 1.563 17775 5659 1 10 . 1 1 41 41 ALA H H 316 9.020 9.020 8.026 0.994 17775 5660 1 10 . 1 1 42 42 LYS N N 317 116.890 116.890 118.695 -1.805 17775 5661 1 10 . 1 1 42 42 LYS HA H 317 3.900 3.900 4.021 -0.121 17775 5662 1 10 . 1 1 42 42 LYS C C 317 179.730 179.730 179.151 0.579 17775 5663 1 10 . 1 1 42 42 LYS CA C 317 60.430 60.430 59.410 1.020 17775 5664 1 10 . 1 1 42 42 LYS H H 317 8.320 8.320 8.003 0.317 17775 5665 1 10 . 1 1 43 43 SER N N 318 119.130 119.130 115.566 3.564 17775 5666 1 10 . 1 1 43 43 SER HA H 318 4.340 4.340 4.191 0.149 17775 5667 1 10 . 1 1 43 43 SER C C 318 177.430 177.430 176.778 0.652 17775 5668 1 10 . 1 1 43 43 SER CA C 318 62.630 62.630 61.561 1.069 17775 5669 1 10 . 1 1 43 43 SER CB C 318 63.050 63.050 62.956 0.093 17775 5670 1 10 . 1 1 43 43 SER H H 318 8.060 8.060 7.953 0.107 17775 5671 1 10 . 1 1 44 44 ILE N N 319 124.020 124.020 123.027 0.993 17775 5672 1 10 . 1 1 44 44 ILE HA H 319 3.640 3.640 3.693 -0.053 17775 5673 1 10 . 1 1 44 44 ILE C C 319 177.190 177.190 177.857 -0.667 17775 5674 1 10 . 1 1 44 44 ILE CA C 319 65.020 65.020 65.049 -0.029 17775 5675 1 10 . 1 1 44 44 ILE CB C 319 36.790 36.790 37.630 -0.840 17775 5676 1 10 . 1 1 44 44 ILE H H 319 8.250 8.250 7.679 0.571 17775 5677 1 10 . 1 1 45 45 GLU N N 320 123.090 123.090 120.740 2.350 17775 5678 1 10 . 1 1 45 45 GLU HA H 320 4.600 4.600 3.955 0.645 17775 5679 1 10 . 1 1 45 45 GLU C C 320 178.190 178.190 178.640 -0.450 17775 5680 1 10 . 1 1 45 45 GLU CA C 320 58.430 58.430 59.508 -1.079 17775 5681 1 10 . 1 1 45 45 GLU CB C 320 27.700 27.700 29.206 -1.506 17775 5682 1 10 . 1 1 45 45 GLU H H 320 8.390 8.390 8.000 0.390 17775 5683 1 10 . 1 1 46 46 ARG N N 321 119.760 119.760 119.298 0.462 17775 5684 1 10 . 1 1 46 46 ARG HA H 321 3.930 3.930 4.048 -0.118 17775 5685 1 10 . 1 1 46 46 ARG C C 321 179.950 179.950 179.051 0.899 17775 5686 1 10 . 1 1 46 46 ARG CA C 321 60.440 60.440 59.447 0.993 17775 5687 1 10 . 1 1 46 46 ARG CB C 321 29.770 29.770 30.166 -0.396 17775 5688 1 10 . 1 1 46 46 ARG H H 321 8.000 8.000 7.890 0.110 17775 5689 1 10 . 1 1 47 47 LEU N N 322 121.360 121.360 119.623 1.737 17775 5690 1 10 . 1 1 47 47 LEU HA H 322 4.020 4.020 3.966 0.054 17775 5691 1 10 . 1 1 47 47 LEU C C 322 178.040 178.040 178.747 -0.707 17775 5692 1 10 . 1 1 47 47 LEU CA C 322 58.550 58.550 57.903 0.647 17775 5693 1 10 . 1 1 47 47 LEU CB C 322 41.650 41.650 41.483 0.167 17775 5694 1 10 . 1 1 47 47 LEU H H 322 7.870 7.870 7.910 -0.040 17775 5695 1 10 . 1 1 48 48 ARG N N 323 121.390 121.390 119.371 2.019 17775 5696 1 10 . 1 1 48 48 ARG HA H 323 3.690 3.690 3.921 -0.231 17775 5697 1 10 . 1 1 48 48 ARG C C 323 178.120 178.120 178.336 -0.216 17775 5698 1 10 . 1 1 48 48 ARG CA C 323 60.630 60.630 59.748 0.882 17775 5699 1 10 . 1 1 48 48 ARG CB C 323 30.230 30.230 29.938 0.292 17775 5700 1 10 . 1 1 48 48 ARG H H 323 8.730 8.730 8.038 0.692 17775 5701 1 10 . 1 1 49 49 ARG N N 324 116.720 116.720 119.026 -2.306 17775 5702 1 10 . 1 1 49 49 ARG HA H 324 3.840 3.840 3.995 -0.155 17775 5703 1 10 . 1 1 49 49 ARG C C 324 179.060 179.060 178.437 0.623 17775 5704 1 10 . 1 1 49 49 ARG CA C 324 59.930 59.930 59.847 0.083 17775 5705 1 10 . 1 1 49 49 ARG CB C 324 29.830 29.830 30.111 -0.281 17775 5706 1 10 . 1 1 49 49 ARG H H 324 8.550 8.550 8.110 0.440 17775 5707 1 10 . 1 1 50 50 SER N N 325 117.600 117.600 116.194 1.406 17775 5708 1 10 . 1 1 50 50 SER HA H 325 4.120 4.120 4.478 -0.358 17775 5709 1 10 . 1 1 50 50 SER C C 325 176.050 176.050 176.947 -0.897 17775 5710 1 10 . 1 1 50 50 SER CA C 325 62.630 62.630 62.546 0.084 17775 5711 1 10 . 1 1 50 50 SER CB C 325 62.950 62.950 63.103 -0.153 17775 5712 1 10 . 1 1 50 50 SER H H 325 8.170 8.170 7.845 0.325 17775 5713 1 10 . 1 1 51 51 LEU N N 326 123.730 123.730 122.054 1.676 17775 5714 1 10 . 1 1 51 51 LEU HA H 326 3.990 3.990 3.959 0.031 17775 5715 1 10 . 1 1 51 51 LEU C C 326 177.380 177.380 178.451 -1.071 17775 5716 1 10 . 1 1 51 51 LEU CA C 326 58.580 58.580 58.050 0.530 17775 5717 1 10 . 1 1 51 51 LEU CB C 326 42.190 42.190 41.639 0.551 17775 5718 1 10 . 1 1 51 51 LEU H H 326 8.190 8.190 7.980 0.210 17775 5719 1 10 . 1 1 52 52 LYS N N 327 119.170 119.170 119.175 -0.005 17775 5720 1 10 . 1 1 52 52 LYS HA H 327 3.860 3.860 3.864 -0.004 17775 5721 1 10 . 1 1 52 52 LYS C C 327 179.050 179.050 178.861 0.189 17775 5722 1 10 . 1 1 52 52 LYS CA C 327 59.700 59.700 59.740 -0.040 17775 5723 1 10 . 1 1 52 52 LYS CB C 327 32.020 32.020 32.333 -0.312 17775 5724 1 10 . 1 1 52 52 LYS H H 327 8.580 8.580 7.933 0.647 17775 5725 1 10 . 1 1 53 53 GLN N N 328 118.180 118.180 118.691 -0.511 17775 5726 1 10 . 1 1 53 53 GLN HA H 328 4.080 4.080 4.048 0.032 17775 5727 1 10 . 1 1 53 53 GLN C C 328 177.960 177.960 178.744 -0.784 17775 5728 1 10 . 1 1 53 53 GLN CA C 328 58.690 58.690 59.037 -0.347 17775 5729 1 10 . 1 1 53 53 GLN CB C 328 28.450 28.450 28.840 -0.390 17775 5730 1 10 . 1 1 53 53 GLN H H 328 8.080 8.080 7.951 0.129 17775 5731 1 10 . 1 1 54 54 LEU N N 329 118.740 118.740 119.916 -1.176 17775 5732 1 10 . 1 1 54 54 LEU HA H 329 4.150 4.150 3.939 0.211 17775 5733 1 10 . 1 1 54 54 LEU C C 329 179.580 179.580 178.742 0.838 17775 5734 1 10 . 1 1 54 54 LEU CA C 329 58.080 58.080 57.831 0.249 17775 5735 1 10 . 1 1 54 54 LEU CB C 329 42.620 42.620 41.682 0.938 17775 5736 1 10 . 1 1 54 54 LEU H H 329 7.680 7.680 7.963 -0.283 17775 5737 1 10 . 1 1 55 55 ALA N N 330 123.330 123.330 122.101 1.229 17775 5738 1 10 . 1 1 55 55 ALA HA H 330 4.050 4.050 3.917 0.133 17775 5739 1 10 . 1 1 55 55 ALA C C 330 180.530 180.530 179.374 1.156 17775 5740 1 10 . 1 1 55 55 ALA CA C 330 55.630 55.630 55.486 0.144 17775 5741 1 10 . 1 1 55 55 ALA CB C 330 18.320 18.320 18.007 0.313 17775 5742 1 10 . 1 1 55 55 ALA H H 330 8.390 8.390 8.055 0.335 17775 5743 1 10 . 1 1 56 56 ASP N N 331 121.350 121.350 118.930 2.420 17775 5744 1 10 . 1 1 56 56 ASP HA H 331 4.420 4.420 4.299 0.121 17775 5745 1 10 . 1 1 56 56 ASP C C 331 179.100 179.100 178.631 0.469 17775 5746 1 10 . 1 1 56 56 ASP CA C 331 57.430 57.430 57.304 0.126 17775 5747 1 10 . 1 1 56 56 ASP CB C 331 39.630 39.630 40.213 -0.583 17775 5748 1 10 . 1 1 56 56 ASP H H 331 8.820 8.820 8.051 0.769 17775 5749 1 10 . 1 1 57 57 ASP N N 332 121.570 121.570 120.591 0.979 17775 5750 1 10 . 1 1 57 57 ASP HA H 332 4.490 4.490 4.387 0.103 17775 5751 1 10 . 1 1 57 57 ASP C C 332 179.080 179.080 178.450 0.630 17775 5752 1 10 . 1 1 57 57 ASP CA C 332 57.380 57.380 57.285 0.095 17775 5753 1 10 . 1 1 57 57 ASP CB C 332 40.440 40.440 40.603 -0.163 17775 5754 1 10 . 1 1 57 57 ASP H H 332 8.420 8.420 8.136 0.284 17775 5755 1 10 . 1 1 58 58 ARG N N 333 120.250 120.250 119.598 0.652 17775 5756 1 10 . 1 1 58 58 ARG HA H 333 3.940 3.940 4.007 -0.067 17775 5757 1 10 . 1 1 58 58 ARG C C 333 177.770 177.770 178.587 -0.817 17775 5758 1 10 . 1 1 58 58 ARG CA C 333 58.790 58.790 59.502 -0.712 17775 5759 1 10 . 1 1 58 58 ARG CB C 333 30.300 30.300 30.329 -0.029 17775 5760 1 10 . 1 1 58 58 ARG H H 333 7.900 7.900 7.736 0.164 17775 5761 1 10 . 1 1 59 59 THR N N 334 115.160 115.160 114.933 0.227 17775 5762 1 10 . 1 1 59 59 THR HA H 334 3.960 3.960 4.140 -0.180 17775 5763 1 10 . 1 1 59 59 THR C C 334 176.690 176.690 176.581 0.109 17775 5764 1 10 . 1 1 59 59 THR CA C 334 66.430 66.430 66.076 0.354 17775 5765 1 10 . 1 1 59 59 THR CB C 334 68.720 68.720 68.740 -0.020 17775 5766 1 10 . 1 1 59 59 THR H H 334 7.940 7.940 7.627 0.313 17775 5767 1 10 . 1 1 60 60 LEU N N 335 123.040 123.040 121.640 1.400 17775 5768 1 10 . 1 1 60 60 LEU HA H 335 4.070 4.070 3.970 0.100 17775 5769 1 10 . 1 1 60 60 LEU C C 335 180.040 180.040 178.935 1.105 17775 5770 1 10 . 1 1 60 60 LEU CA C 335 57.690 57.690 57.755 -0.065 17775 5771 1 10 . 1 1 60 60 LEU CB C 335 41.810 41.810 41.633 0.177 17775 5772 1 10 . 1 1 60 60 LEU H H 335 7.860 7.860 7.817 0.043 17775 5773 1 10 . 1 1 61 61 LEU N N 336 121.600 121.600 120.482 1.118 17775 5774 1 10 . 1 1 61 61 LEU HA H 336 4.020 4.020 3.891 0.129 17775 5775 1 10 . 1 1 61 61 LEU C C 336 179.360 179.360 178.463 0.897 17775 5776 1 10 . 1 1 61 61 LEU CA C 336 57.900 57.900 58.268 -0.368 17775 5777 1 10 . 1 1 61 61 LEU CB C 336 41.970 41.970 41.855 0.115 17775 5778 1 10 . 1 1 61 61 LEU H H 336 8.180 8.180 8.043 0.137 17775 5779 1 10 . 1 1 62 62 MET N N 337 116.900 116.900 118.393 -1.493 17775 5780 1 10 . 1 1 62 62 MET HA H 337 4.110 4.110 3.901 0.209 17775 5781 1 10 . 1 1 62 62 MET C C 337 179.750 179.750 177.984 1.766 17775 5782 1 10 . 1 1 62 62 MET CA C 337 57.850 57.850 59.120 -1.270 17775 5783 1 10 . 1 1 62 62 MET CB C 337 32.200 32.200 32.445 -0.245 17775 5784 1 10 . 1 1 62 62 MET H H 337 8.160 8.160 7.699 0.461 17775 5785 1 10 . 1 1 63 63 ALA N N 338 122.990 122.990 121.164 1.826 17775 5786 1 10 . 1 1 63 63 ALA HA H 338 4.110 4.110 4.093 0.017 17775 5787 1 10 . 1 1 63 63 ALA C C 338 180.420 180.420 179.658 0.762 17775 5788 1 10 . 1 1 63 63 ALA CA C 338 55.270 55.270 55.160 0.110 17775 5789 1 10 . 1 1 63 63 ALA CB C 338 17.960 17.960 18.224 -0.264 17775 5790 1 10 . 1 1 63 63 ALA H H 338 8.090 8.090 7.769 0.321 17775 5791 1 10 . 1 1 64 64 GLY N N 339 106.980 106.980 106.918 0.062 17775 5792 1 10 . 1 1 64 64 GLY C C 339 175.240 175.240 176.303 -1.063 17775 5793 1 10 . 1 1 64 64 GLY CA C 339 47.190 47.190 47.248 -0.058 17775 5794 1 10 . 1 1 64 64 GLY H H 339 8.070 8.070 7.955 0.115 17775 5795 1 10 . 1 1 65 65 VAL N N 340 120.660 120.660 122.388 -1.728 17775 5796 1 10 . 1 1 65 65 VAL HA H 340 3.780 3.780 3.643 0.137 17775 5797 1 10 . 1 1 65 65 VAL C C 340 176.960 176.960 178.020 -1.060 17775 5798 1 10 . 1 1 65 65 VAL CA C 340 65.620 65.620 66.451 -0.830 17775 5799 1 10 . 1 1 65 65 VAL CB C 340 31.690 31.690 31.235 0.455 17775 5800 1 10 . 1 1 65 65 VAL H H 340 8.100 8.100 7.838 0.262 17775 5801 1 10 . 1 1 66 66 SER N N 341 112.150 112.150 115.942 -3.792 17775 5802 1 10 . 1 1 66 66 SER HA H 341 4.000 4.000 4.003 -0.003 17775 5803 1 10 . 1 1 66 66 SER C C 341 175.860 175.860 176.733 -0.873 17775 5804 1 10 . 1 1 66 66 SER CA C 341 61.240 61.240 61.611 -0.371 17775 5805 1 10 . 1 1 66 66 SER CB C 341 63.260 63.260 63.075 0.185 17775 5806 1 10 . 1 1 66 66 SER H H 341 7.810 7.810 8.046 -0.236 17775 5807 1 10 . 1 1 67 67 HIS N N 342 118.910 118.910 121.986 -3.076 17775 5808 1 10 . 1 1 67 67 HIS HA H 342 4.440 4.440 4.237 0.203 17775 5809 1 10 . 1 1 67 67 HIS C C 342 177.780 177.780 178.043 -0.263 17775 5810 1 10 . 1 1 67 67 HIS CA C 342 59.160 59.160 59.941 -0.781 17775 5811 1 10 . 1 1 67 67 HIS CB C 342 30.400 30.400 29.954 0.446 17775 5812 1 10 . 1 1 67 67 HIS H H 342 7.830 7.830 7.897 -0.067 17775 5813 1 10 . 1 1 68 68 ASP N N 343 120.590 120.590 119.937 0.653 17775 5814 1 10 . 1 1 68 68 ASP HA H 343 4.440 4.440 4.353 0.087 17775 5815 1 10 . 1 1 68 68 ASP C C 343 178.470 178.470 178.828 -0.358 17775 5816 1 10 . 1 1 68 68 ASP CA C 343 57.500 57.500 57.211 0.289 17775 5817 1 10 . 1 1 68 68 ASP CB C 343 39.880 39.880 40.503 -0.623 17775 5818 1 10 . 1 1 68 68 ASP H H 343 8.580 8.580 8.018 0.562 17775 5819 1 10 . 1 1 69 69 LEU N N 344 117.900 117.900 119.787 -1.887 17775 5820 1 10 . 1 1 69 69 LEU HA H 344 4.190 4.190 3.974 0.216 17775 5821 1 10 . 1 1 69 69 LEU C C 344 177.010 177.010 178.421 -1.411 17775 5822 1 10 . 1 1 69 69 LEU CA C 344 56.810 56.810 57.491 -0.681 17775 5823 1 10 . 1 1 69 69 LEU CB C 344 43.300 43.300 41.545 1.755 17775 5824 1 10 . 1 1 69 69 LEU H H 344 8.300 8.300 8.016 0.284 17775 5825 1 10 . 1 1 70 70 ARG N N 345 114.380 114.380 117.680 -3.300 17775 5826 1 10 . 1 1 70 70 ARG HA H 345 3.930 3.930 3.883 0.047 17775 5827 1 10 . 1 1 70 70 ARG C C 345 178.840 178.840 178.543 0.297 17775 5828 1 10 . 1 1 70 70 ARG CA C 345 59.420 59.420 59.867 -0.447 17775 5829 1 10 . 1 1 70 70 ARG CB C 345 30.210 30.210 29.864 0.346 17775 5830 1 10 . 1 1 70 70 ARG H H 345 7.280 7.280 7.749 -0.469 17775 5831 1 10 . 1 1 71 71 THR N N 346 115.370 115.370 115.311 0.059 17775 5832 1 10 . 1 1 71 71 THR HA H 346 4.060 4.060 4.201 -0.141 17775 5833 1 10 . 1 1 71 71 THR CA C 346 68.800 68.800 67.752 1.048 17775 5834 1 10 . 1 1 71 71 THR CB C 346 66.590 66.590 66.307 0.283 17775 5835 1 10 . 1 1 71 71 THR H H 346 7.540 7.540 7.565 -0.025 17775 5836 1 10 . 1 1 72 72 PRO HA H 347 4.090 4.090 4.288 -0.198 17775 5837 1 10 . 1 1 72 72 PRO CA C 347 65.860 65.860 65.740 0.120 17775 5838 1 10 . 1 1 72 72 PRO CB C 347 31.380 31.380 31.257 0.123 17775 5839 1 10 . 1 1 73 73 LEU N N 348 114.830 114.830 118.911 -4.081 17775 5840 1 10 . 1 1 73 73 LEU HA H 348 3.950 3.950 3.909 0.041 17775 5841 1 10 . 1 1 73 73 LEU C C 348 179.120 179.120 179.221 -0.101 17775 5842 1 10 . 1 1 73 73 LEU CA C 348 58.450 58.450 58.192 0.258 17775 5843 1 10 . 1 1 73 73 LEU CB C 348 41.320 41.320 41.585 -0.265 17775 5844 1 10 . 1 1 73 73 LEU H H 348 6.970 6.970 7.705 -0.735 17775 5845 1 10 . 1 1 74 74 THR N N 349 116.230 116.230 115.025 1.205 17775 5846 1 10 . 1 1 74 74 THR HA H 349 3.880 3.880 3.900 -0.020 17775 5847 1 10 . 1 1 74 74 THR C C 349 176.100 176.100 176.864 -0.764 17775 5848 1 10 . 1 1 74 74 THR CA C 349 66.760 66.760 66.671 0.089 17775 5849 1 10 . 1 1 74 74 THR CB C 349 68.770 68.770 68.525 0.245 17775 5850 1 10 . 1 1 74 74 THR H H 349 8.090 8.090 7.934 0.156 17775 5851 1 10 . 1 1 75 75 ARG N N 350 121.190 121.190 121.158 0.032 17775 5852 1 10 . 1 1 75 75 ARG HA H 350 3.970 3.970 4.054 -0.084 17775 5853 1 10 . 1 1 75 75 ARG C C 350 180.130 180.130 178.663 1.467 17775 5854 1 10 . 1 1 75 75 ARG CA C 350 61.030 61.030 58.849 2.180 17775 5855 1 10 . 1 1 75 75 ARG CB C 350 31.080 31.080 29.644 1.436 17775 5856 1 10 . 1 1 75 75 ARG H H 350 7.570 7.570 7.757 -0.187 17775 5857 1 10 . 1 1 76 76 ILE N N 351 122.150 122.150 120.031 2.119 17775 5858 1 10 . 1 1 76 76 ILE HA H 351 3.700 3.700 3.675 0.025 17775 5859 1 10 . 1 1 76 76 ILE C C 351 177.070 177.070 177.854 -0.784 17775 5860 1 10 . 1 1 76 76 ILE CA C 351 65.560 65.560 65.237 0.323 17775 5861 1 10 . 1 1 76 76 ILE CB C 351 37.650 37.650 37.439 0.211 17775 5862 1 10 . 1 1 76 76 ILE H H 351 8.060 8.060 7.952 0.108 17775 5863 1 10 . 1 1 77 77 ARG N N 352 120.120 120.120 120.614 -0.494 17775 5864 1 10 . 1 1 77 77 ARG HA H 352 3.930 3.930 4.044 -0.114 17775 5865 1 10 . 1 1 77 77 ARG C C 352 179.580 179.580 179.084 0.496 17775 5866 1 10 . 1 1 77 77 ARG CA C 352 59.340 59.340 59.489 -0.149 17775 5867 1 10 . 1 1 77 77 ARG CB C 352 29.690 29.690 30.257 -0.567 17775 5868 1 10 . 1 1 77 77 ARG H H 352 7.700 7.700 7.650 0.050 17775 5869 1 10 . 1 1 78 78 LEU N N 353 119.970 119.970 119.013 0.957 17775 5870 1 10 . 1 1 78 78 LEU HA H 353 4.000 4.000 4.262 -0.262 17775 5871 1 10 . 1 1 78 78 LEU C C 353 179.600 179.600 178.920 0.680 17775 5872 1 10 . 1 1 78 78 LEU CA C 353 57.910 57.910 58.337 -0.427 17775 5873 1 10 . 1 1 78 78 LEU CB C 353 41.430 41.430 41.941 -0.511 17775 5874 1 10 . 1 1 78 78 LEU H H 353 8.260 8.260 7.861 0.399 17775 5875 1 10 . 1 1 79 79 ALA N N 354 122.390 122.390 120.518 1.872 17775 5876 1 10 . 1 1 79 79 ALA HA H 354 4.070 4.070 4.018 0.052 17775 5877 1 10 . 1 1 79 79 ALA C C 354 180.620 180.620 179.700 0.920 17775 5878 1 10 . 1 1 79 79 ALA CA C 354 55.270 55.270 55.012 0.258 17775 5879 1 10 . 1 1 79 79 ALA CB C 354 18.030 18.030 18.456 -0.426 17775 5880 1 10 . 1 1 79 79 ALA H H 354 7.850 7.850 7.821 0.029 17775 5881 1 10 . 1 1 80 80 THR N N 355 107.540 107.540 111.662 -4.122 17775 5882 1 10 . 1 1 80 80 THR HA H 355 3.990 3.990 3.956 0.034 17775 5883 1 10 . 1 1 80 80 THR C C 355 177.250 177.250 177.126 0.124 17775 5884 1 10 . 1 1 80 80 THR CA C 355 64.970 64.970 65.859 -0.888 17775 5885 1 10 . 1 1 80 80 THR CB C 355 69.020 69.020 68.614 0.406 17775 5886 1 10 . 1 1 80 80 THR H H 355 7.930 7.930 8.172 -0.242 17775 5887 1 10 . 1 1 81 81 GLU N N 356 120.380 120.380 120.465 -0.085 17775 5888 1 10 . 1 1 81 81 GLU HA H 356 4.090 4.090 4.141 -0.051 17775 5889 1 10 . 1 1 81 81 GLU C C 356 177.280 177.280 177.533 -0.253 17775 5890 1 10 . 1 1 81 81 GLU CA C 356 58.020 58.020 58.413 -0.393 17775 5891 1 10 . 1 1 81 81 GLU CB C 356 29.490 29.490 29.231 0.259 17775 5892 1 10 . 1 1 81 81 GLU H H 356 7.380 7.380 7.625 -0.245 17775 5893 1 10 . 1 1 82 82 MET N N 357 115.510 115.510 115.880 -0.370 17775 5894 1 10 . 1 1 82 82 MET HA H 357 4.480 4.480 4.324 0.156 17775 5895 1 10 . 1 1 82 82 MET C C 357 176.140 176.140 176.379 -0.239 17775 5896 1 10 . 1 1 82 82 MET CA C 357 54.810 54.810 55.750 -0.940 17775 5897 1 10 . 1 1 82 82 MET CB C 357 32.660 32.660 33.373 -0.713 17775 5898 1 10 . 1 1 82 82 MET H H 357 7.480 7.480 7.470 0.010 17775 5899 1 10 . 1 1 83 83 MET N N 358 119.530 119.530 119.452 0.078 17775 5900 1 10 . 1 1 83 83 MET HA H 358 4.020 4.020 4.330 -0.310 17775 5901 1 10 . 1 1 83 83 MET C C 358 175.670 175.670 176.254 -0.584 17775 5902 1 10 . 1 1 83 83 MET CA C 358 57.430 57.430 55.309 2.121 17775 5903 1 10 . 1 1 83 83 MET CB C 358 33.860 33.860 32.678 1.182 17775 5904 1 10 . 1 1 83 83 MET H H 358 7.010 7.010 7.353 -0.343 17775 5905 1 10 . 1 1 84 84 SER N N 359 119.110 119.110 119.206 -0.096 17775 5906 1 10 . 1 1 84 84 SER HA H 359 4.300 4.300 4.614 -0.314 17775 5907 1 10 . 1 1 84 84 SER C C 359 176.160 176.160 175.592 0.568 17775 5908 1 10 . 1 1 84 84 SER CA C 359 59.170 59.170 57.583 1.587 17775 5909 1 10 . 1 1 84 84 SER CB C 359 64.540 64.540 64.251 0.289 17775 5910 1 10 . 1 1 84 84 SER H H 359 9.630 9.630 8.188 1.442 17775 5911 1 10 . 1 1 85 85 GLU N N 360 124.090 124.090 121.354 2.736 17775 5912 1 10 . 1 1 85 85 GLU CA C 360 58.880 58.880 59.043 -0.163 17775 5913 1 10 . 1 1 85 85 GLU CB C 360 29.560 29.560 29.427 0.133 17775 5914 1 10 . 1 1 85 85 GLU H H 360 8.810 8.810 8.985 -0.175 17775 5915 1 10 . 1 1 86 86 GLN HA H 361 4.220 4.220 4.171 0.049 17775 5916 1 10 . 1 1 86 86 GLN C C 361 176.370 176.370 177.054 -0.684 17775 5917 1 10 . 1 1 86 86 GLN CA C 361 58.440 58.440 58.032 0.408 17775 5918 1 10 . 1 1 86 86 GLN CB C 361 28.290 28.290 28.772 -0.482 17775 5919 1 10 . 1 1 87 87 ASP N N 362 118.700 118.700 117.809 0.891 17775 5920 1 10 . 1 1 87 87 ASP HA H 362 5.070 5.070 4.485 0.585 17775 5921 1 10 . 1 1 87 87 ASP C C 362 176.740 176.740 176.055 0.685 17775 5922 1 10 . 1 1 87 87 ASP CA C 362 53.710 53.710 52.968 0.742 17775 5923 1 10 . 1 1 87 87 ASP CB C 362 40.980 40.980 40.779 0.201 17775 5924 1 10 . 1 1 87 87 ASP H H 362 7.640 7.640 7.634 0.006 17775 5925 1 10 . 1 1 88 88 GLY N N 363 110.410 110.410 108.925 1.485 17775 5926 1 10 . 1 1 88 88 GLY CA C 363 47.890 47.890 47.333 0.557 17775 5927 1 10 . 1 1 88 88 GLY H H 363 7.940 7.940 7.952 -0.012 17775 5928 1 10 . 1 1 89 89 TYR HA H 364 4.430 4.430 4.168 0.262 17775 5929 1 10 . 1 1 89 89 TYR C C 364 177.600 177.600 177.621 -0.021 17775 5930 1 10 . 1 1 89 89 TYR CA C 364 59.970 59.970 59.716 0.254 17775 5931 1 10 . 1 1 89 89 TYR CB C 364 37.100 37.100 37.216 -0.116 17775 5932 1 10 . 1 1 89 89 TYR H H 364 8.470 8.470 8.050 0.420 17775 5933 1 10 . 1 1 90 90 LEU N N 365 124.000 124.000 119.938 4.062 17775 5934 1 10 . 1 1 90 90 LEU HA H 365 3.920 3.920 3.934 -0.014 17775 5935 1 10 . 1 1 90 90 LEU C C 365 178.180 178.180 178.722 -0.542 17775 5936 1 10 . 1 1 90 90 LEU CA C 365 57.050 57.050 56.893 0.157 17775 5937 1 10 . 1 1 90 90 LEU CB C 365 41.930 41.930 41.226 0.704 17775 5938 1 10 . 1 1 90 90 LEU H H 365 7.080 7.080 6.791 0.289 17775 5939 1 10 . 1 1 91 91 ALA N N 366 123.150 123.150 121.474 1.676 17775 5940 1 10 . 1 1 91 91 ALA HA H 366 3.790 3.790 3.950 -0.160 17775 5941 1 10 . 1 1 91 91 ALA C C 366 179.610 179.610 179.744 -0.134 17775 5942 1 10 . 1 1 91 91 ALA CA C 366 55.910 55.910 55.112 0.798 17775 5943 1 10 . 1 1 91 91 ALA CB C 366 18.450 18.450 17.973 0.477 17775 5944 1 10 . 1 1 91 91 ALA H H 366 7.880 7.880 7.422 0.458 17775 5945 1 10 . 1 1 92 92 GLU N N 367 116.750 116.750 118.085 -1.335 17775 5946 1 10 . 1 1 92 92 GLU HA H 367 4.010 4.010 4.152 -0.142 17775 5947 1 10 . 1 1 92 92 GLU C C 367 177.910 177.910 179.200 -1.290 17775 5948 1 10 . 1 1 92 92 GLU CA C 367 59.420 59.420 59.552 -0.132 17775 5949 1 10 . 1 1 92 92 GLU CB C 367 29.620 29.620 29.276 0.344 17775 5950 1 10 . 1 1 92 92 GLU H H 367 8.100 8.100 8.251 -0.151 17775 5951 1 10 . 1 1 93 93 SER N N 368 115.480 115.480 115.430 0.050 17775 5952 1 10 . 1 1 93 93 SER HA H 368 4.060 4.060 4.267 -0.207 17775 5953 1 10 . 1 1 93 93 SER C C 368 176.360 176.360 176.695 -0.335 17775 5954 1 10 . 1 1 93 93 SER CA C 368 61.610 61.610 61.279 0.331 17775 5955 1 10 . 1 1 93 93 SER CB C 368 63.080 63.080 62.778 0.302 17775 5956 1 10 . 1 1 93 93 SER H H 368 7.520 7.520 7.472 0.048 17775 5957 1 10 . 1 1 94 94 ILE N N 369 121.710 121.710 121.598 0.112 17775 5958 1 10 . 1 1 94 94 ILE HA H 369 4.000 4.000 3.921 0.079 17775 5959 1 10 . 1 1 94 94 ILE C C 369 178.000 178.000 177.940 0.060 17775 5960 1 10 . 1 1 94 94 ILE CA C 369 65.470 65.470 64.868 0.602 17775 5961 1 10 . 1 1 94 94 ILE CB C 369 38.030 38.030 37.649 0.381 17775 5962 1 10 . 1 1 94 94 ILE H H 369 8.400 8.400 7.431 0.969 17775 5963 1 10 . 1 1 95 95 ASN N N 370 117.810 117.810 119.078 -1.268 17775 5964 1 10 . 1 1 95 95 ASN HA H 370 4.290 4.290 4.366 -0.076 17775 5965 1 10 . 1 1 95 95 ASN C C 370 179.730 179.730 177.502 2.228 17775 5966 1 10 . 1 1 95 95 ASN CA C 370 57.340 57.340 57.172 0.168 17775 5967 1 10 . 1 1 95 95 ASN CB C 370 38.280 38.280 38.369 -0.089 17775 5968 1 10 . 1 1 95 95 ASN H H 370 8.270 8.270 7.984 0.286 17775 5969 1 10 . 1 1 96 96 LYS N N 371 121.220 121.220 119.843 1.377 17775 5970 1 10 . 1 1 96 96 LYS HA H 371 4.090 4.090 4.013 0.077 17775 5971 1 10 . 1 1 96 96 LYS C C 371 179.250 179.250 178.683 0.567 17775 5972 1 10 . 1 1 96 96 LYS CA C 371 59.650 59.650 59.582 0.068 17775 5973 1 10 . 1 1 96 96 LYS CB C 371 31.730 31.730 32.318 -0.588 17775 5974 1 10 . 1 1 96 96 LYS H H 371 7.960 7.960 7.817 0.143 17775 5975 1 10 . 1 1 97 97 ASP N N 372 122.870 122.870 120.354 2.516 17775 5976 1 10 . 1 1 97 97 ASP HA H 372 4.060 4.060 4.424 -0.364 17775 5977 1 10 . 1 1 97 97 ASP C C 372 179.300 179.300 178.705 0.595 17775 5978 1 10 . 1 1 97 97 ASP CA C 372 58.400 58.400 57.331 1.069 17775 5979 1 10 . 1 1 97 97 ASP CB C 372 41.130 41.130 40.474 0.656 17775 5980 1 10 . 1 1 97 97 ASP H H 372 7.920 7.920 7.831 0.089 17775 5981 1 10 . 1 1 98 98 ILE N N 373 123.090 123.090 120.252 2.838 17775 5982 1 10 . 1 1 98 98 ILE HA H 373 3.620 3.620 3.619 0.001 17775 5983 1 10 . 1 1 98 98 ILE C C 373 178.330 178.330 177.905 0.425 17775 5984 1 10 . 1 1 98 98 ILE CA C 373 65.080 65.080 65.378 -0.298 17775 5985 1 10 . 1 1 98 98 ILE CB C 373 37.260 37.260 37.825 -0.565 17775 5986 1 10 . 1 1 98 98 ILE H H 373 8.720 8.720 7.846 0.874 17775 5987 1 10 . 1 1 99 99 GLU N N 374 120.550 120.550 119.672 0.878 17775 5988 1 10 . 1 1 99 99 GLU HA H 374 4.120 4.120 3.902 0.218 17775 5989 1 10 . 1 1 99 99 GLU C C 374 179.740 179.740 179.008 0.732 17775 5990 1 10 . 1 1 99 99 GLU CA C 374 59.570 59.570 59.822 -0.252 17775 5991 1 10 . 1 1 99 99 GLU CB C 374 28.910 28.910 29.317 -0.407 17775 5992 1 10 . 1 1 99 99 GLU H H 374 8.100 8.100 7.920 0.180 17775 5993 1 10 . 1 1 100 100 GLU N N 375 122.040 122.040 119.982 2.058 17775 5994 1 10 . 1 1 100 100 GLU HA H 375 4.140 4.140 4.102 0.038 17775 5995 1 10 . 1 1 100 100 GLU C C 375 178.810 178.810 178.804 0.006 17775 5996 1 10 . 1 1 100 100 GLU CA C 375 59.830 59.830 59.264 0.566 17775 5997 1 10 . 1 1 100 100 GLU CB C 375 29.220 29.220 29.320 -0.100 17775 5998 1 10 . 1 1 100 100 GLU H H 375 8.060 8.060 7.877 0.183 17775 5999 1 10 . 1 1 101 101 CYS N N 376 117.330 117.330 117.705 -0.375 17775 6000 1 10 . 1 1 101 101 CYS HA H 376 3.960 3.960 4.006 -0.046 17775 6001 1 10 . 1 1 101 101 CYS C C 376 176.540 176.540 176.894 -0.354 17775 6002 1 10 . 1 1 101 101 CYS CA C 376 64.510 64.510 64.696 -0.186 17775 6003 1 10 . 1 1 101 101 CYS CB C 376 27.270 27.270 27.567 -0.297 17775 6004 1 10 . 1 1 101 101 CYS H H 376 8.130 8.130 7.882 0.248 17775 6005 1 10 . 1 1 102 102 ASN N N 377 117.140 117.140 117.981 -0.841 17775 6006 1 10 . 1 1 102 102 ASN HA H 377 4.290 4.290 4.406 -0.116 17775 6007 1 10 . 1 1 102 102 ASN C C 377 176.980 176.980 176.869 0.111 17775 6008 1 10 . 1 1 102 102 ASN CA C 377 56.460 56.460 56.458 0.002 17775 6009 1 10 . 1 1 102 102 ASN CB C 377 38.440 38.440 38.452 -0.012 17775 6010 1 10 . 1 1 102 102 ASN H H 377 8.430 8.430 7.935 0.495 17775 6011 1 10 . 1 1 103 103 ALA N N 378 123.350 123.350 122.883 0.467 17775 6012 1 10 . 1 1 103 103 ALA HA H 378 4.130 4.130 4.056 0.074 17775 6013 1 10 . 1 1 103 103 ALA C C 378 180.510 180.510 179.631 0.879 17775 6014 1 10 . 1 1 103 103 ALA CA C 378 55.120 55.120 55.020 0.100 17775 6015 1 10 . 1 1 103 103 ALA CB C 378 17.960 17.960 18.617 -0.657 17775 6016 1 10 . 1 1 103 103 ALA H H 378 8.130 8.130 7.754 0.376 17775 6017 1 10 . 1 1 104 104 ILE N N 379 120.880 120.880 119.088 1.792 17775 6018 1 10 . 1 1 104 104 ILE HA H 379 3.680 3.680 3.641 0.039 17775 6019 1 10 . 1 1 104 104 ILE C C 379 178.260 178.260 178.368 -0.108 17775 6020 1 10 . 1 1 104 104 ILE CA C 379 64.860 64.860 65.757 -0.896 17775 6021 1 10 . 1 1 104 104 ILE CB C 379 38.080 38.080 37.998 0.082 17775 6022 1 10 . 1 1 104 104 ILE H H 379 8.010 8.010 7.663 0.347 17775 6023 1 10 . 1 1 105 105 ILE N N 380 119.970 119.970 119.752 0.218 17775 6024 1 10 . 1 1 105 105 ILE HA H 380 3.430 3.430 3.710 -0.280 17775 6025 1 10 . 1 1 105 105 ILE C C 380 177.660 177.660 177.958 -0.298 17775 6026 1 10 . 1 1 105 105 ILE CA C 380 65.490 65.490 65.977 -0.487 17775 6027 1 10 . 1 1 105 105 ILE CB C 380 38.060 38.060 37.634 0.426 17775 6028 1 10 . 1 1 105 105 ILE H H 380 8.060 8.060 7.722 0.338 17775 6029 1 10 . 1 1 106 106 GLU N N 381 118.640 118.640 119.624 -0.984 17775 6030 1 10 . 1 1 106 106 GLU HA H 381 3.970 3.970 3.898 0.072 17775 6031 1 10 . 1 1 106 106 GLU C C 381 178.440 178.440 178.780 -0.340 17775 6032 1 10 . 1 1 106 106 GLU CA C 381 59.260 59.260 59.797 -0.537 17775 6033 1 10 . 1 1 106 106 GLU CB C 381 29.570 29.570 29.408 0.162 17775 6034 1 10 . 1 1 106 106 GLU H H 381 8.140 8.140 7.926 0.214 17775 6035 1 10 . 1 1 107 107 GLN N N 382 117.770 117.770 119.390 -1.620 17775 6036 1 10 . 1 1 107 107 GLN HA H 382 4.040 4.040 4.010 0.030 17775 6037 1 10 . 1 1 107 107 GLN C C 382 177.550 177.550 178.364 -0.814 17775 6038 1 10 . 1 1 107 107 GLN CA C 382 58.170 58.170 58.940 -0.770 17775 6039 1 10 . 1 1 107 107 GLN CB C 382 28.770 28.770 28.520 0.250 17775 6040 1 10 . 1 1 107 107 GLN H H 382 7.710 7.710 7.835 -0.125 17775 6041 1 10 . 1 1 108 108 PHE N N 383 118.750 118.750 118.663 0.087 17775 6042 1 10 . 1 1 108 108 PHE HA H 383 4.490 4.490 4.234 0.256 17775 6043 1 10 . 1 1 108 108 PHE C C 383 176.570 176.570 178.205 -1.635 17775 6044 1 10 . 1 1 108 108 PHE CA C 383 59.360 59.360 62.353 -2.994 17775 6045 1 10 . 1 1 108 108 PHE CB C 383 38.760 38.760 38.832 -0.072 17775 6046 1 10 . 1 1 108 108 PHE H H 383 7.880 7.880 7.793 0.087 17775 6047 1 10 . 1 1 109 109 ILE N N 384 118.200 118.200 120.747 -2.547 17775 6048 1 10 . 1 1 109 109 ILE HA H 384 3.720 3.720 3.739 -0.019 17775 6049 1 10 . 1 1 109 109 ILE C C 384 177.450 177.450 178.379 -0.929 17775 6050 1 10 . 1 1 109 109 ILE CA C 384 64.280 64.280 65.129 -0.849 17775 6051 1 10 . 1 1 109 109 ILE CB C 384 37.870 37.870 37.774 0.096 17775 6052 1 10 . 1 1 109 109 ILE H H 384 7.950 7.950 7.906 0.044 17775 6053 1 10 . 1 1 110 110 ASP N N 385 119.750 119.750 120.162 -0.412 17775 6054 1 10 . 1 1 110 110 ASP HA H 385 4.440 4.440 4.392 0.048 17775 6055 1 10 . 1 1 110 110 ASP C C 385 177.620 177.620 178.199 -0.579 17775 6056 1 10 . 1 1 110 110 ASP CA C 385 56.500 56.500 57.450 -0.950 17775 6057 1 10 . 1 1 110 110 ASP CB C 385 40.860 40.860 40.591 0.269 17775 6058 1 10 . 1 1 110 110 ASP H H 385 7.840 7.840 7.892 -0.052 17775 6059 1 10 . 1 1 111 111 TYR N N 386 118.370 118.370 119.110 -0.740 17775 6060 1 10 . 1 1 111 111 TYR HA H 386 4.430 4.430 4.261 0.169 17775 6061 1 10 . 1 1 111 111 TYR C C 386 176.320 176.320 177.000 -0.680 17775 6062 1 10 . 1 1 111 111 TYR CA C 386 58.940 58.940 60.951 -2.011 17775 6063 1 10 . 1 1 111 111 TYR CB C 386 38.440 38.440 39.061 -0.621 17775 6064 1 10 . 1 1 111 111 TYR H H 386 7.760 7.760 7.798 -0.038 17775 6065 1 10 . 1 1 112 112 LEU N N 387 119.730 119.730 118.526 1.204 17775 6066 1 10 . 1 1 112 112 LEU HA H 387 4.230 4.230 4.212 0.018 17775 6067 1 10 . 1 1 112 112 LEU C C 387 175.900 175.900 178.188 -2.288 17775 6068 1 10 . 1 1 112 112 LEU CA C 387 55.090 55.090 56.404 -1.315 17775 6069 1 10 . 1 1 112 112 LEU CB C 387 42.670 42.670 42.686 -0.016 17775 6070 1 10 . 1 1 112 112 LEU H H 387 7.660 7.660 7.945 -0.285 17775 6071 1 11 . 1 1 5 5 ILE HA H 280 4.190 4.190 3.788 0.402 17775 6072 1 11 . 1 1 5 5 ILE CA C 280 61.650 61.650 64.616 -2.966 17775 6073 1 11 . 1 1 5 5 ILE CB C 280 38.520 38.520 37.621 0.899 17775 6074 1 11 . 1 1 6 6 THR HA H 281 4.340 4.340 3.946 0.394 17775 6075 1 11 . 1 1 6 6 THR CA C 281 62.680 62.680 65.877 -3.197 17775 6076 1 11 . 1 1 6 6 THR CB C 281 69.630 69.630 68.472 1.158 17775 6077 1 11 . 1 1 8 8 PRO HA H 283 4.230 4.230 4.406 -0.176 17775 6078 1 11 . 1 1 8 8 PRO CA C 283 65.940 65.940 65.707 0.233 17775 6079 1 11 . 1 1 8 8 PRO CB C 283 30.730 30.730 30.748 -0.019 17775 6080 1 11 . 1 1 9 9 ILE N N 284 115.670 115.670 118.915 -3.245 17775 6081 1 11 . 1 1 9 9 ILE HA H 284 3.420 3.420 3.816 -0.396 17775 6082 1 11 . 1 1 9 9 ILE C C 284 177.820 177.820 178.313 -0.493 17775 6083 1 11 . 1 1 9 9 ILE CA C 284 65.540 65.540 63.756 1.784 17775 6084 1 11 . 1 1 9 9 ILE CB C 284 36.810 36.810 36.849 -0.039 17775 6085 1 11 . 1 1 9 9 ILE H H 284 7.300 7.300 7.098 0.202 17775 6086 1 11 . 1 1 10 10 ILE N N 285 121.880 121.880 120.890 0.990 17775 6087 1 11 . 1 1 10 10 ILE HA H 285 3.800 3.800 3.807 -0.007 17775 6088 1 11 . 1 1 10 10 ILE C C 285 177.690 177.690 178.998 -1.308 17775 6089 1 11 . 1 1 10 10 ILE CA C 285 62.880 62.880 63.301 -0.421 17775 6090 1 11 . 1 1 10 10 ILE CB C 285 36.560 36.560 36.341 0.219 17775 6091 1 11 . 1 1 10 10 ILE H H 285 7.880 7.880 7.890 -0.010 17775 6092 1 11 . 1 1 11 11 GLU N N 286 120.580 120.580 119.864 0.716 17775 6093 1 11 . 1 1 11 11 GLU HA H 286 4.080 4.080 4.031 0.049 17775 6094 1 11 . 1 1 11 11 GLU C C 286 180.980 180.980 179.678 1.302 17775 6095 1 11 . 1 1 11 11 GLU CA C 286 59.630 59.630 59.824 -0.194 17775 6096 1 11 . 1 1 11 11 GLU CB C 286 29.550 29.550 29.772 -0.222 17775 6097 1 11 . 1 1 11 11 GLU H H 286 8.450 8.450 8.185 0.265 17775 6098 1 11 . 1 1 12 12 LEU N N 287 121.340 121.340 119.559 1.781 17775 6099 1 11 . 1 1 12 12 LEU HA H 287 4.010 4.010 4.086 -0.076 17775 6100 1 11 . 1 1 12 12 LEU C C 287 178.030 178.030 179.019 -0.989 17775 6101 1 11 . 1 1 12 12 LEU CA C 287 58.310 58.310 58.068 0.242 17775 6102 1 11 . 1 1 12 12 LEU CB C 287 42.050 42.050 42.060 -0.010 17775 6103 1 11 . 1 1 12 12 LEU H H 287 8.490 8.490 8.080 0.410 17775 6104 1 11 . 1 1 13 13 SER N N 288 117.590 117.590 115.194 2.396 17775 6105 1 11 . 1 1 13 13 SER HA H 288 4.190 4.190 4.029 0.161 17775 6106 1 11 . 1 1 13 13 SER C C 288 175.660 175.660 177.011 -1.351 17775 6107 1 11 . 1 1 13 13 SER CA C 288 61.670 61.670 61.497 0.173 17775 6108 1 11 . 1 1 13 13 SER CB C 288 62.490 62.490 62.919 -0.429 17775 6109 1 11 . 1 1 13 13 SER H H 288 8.330 8.330 8.216 0.114 17775 6110 1 11 . 1 1 14 14 ASN N N 289 119.150 119.150 121.213 -2.063 17775 6111 1 11 . 1 1 14 14 ASN HA H 289 4.450 4.450 4.547 -0.097 17775 6112 1 11 . 1 1 14 14 ASN C C 289 178.480 178.480 177.907 0.573 17775 6113 1 11 . 1 1 14 14 ASN CA C 289 55.870 55.870 56.034 -0.164 17775 6114 1 11 . 1 1 14 14 ASN CB C 289 38.090 38.090 38.378 -0.288 17775 6115 1 11 . 1 1 14 14 ASN H H 289 8.650 8.650 8.305 0.345 17775 6116 1 11 . 1 1 15 15 THR N N 290 117.650 117.650 117.677 -0.027 17775 6117 1 11 . 1 1 15 15 THR HA H 290 3.830 3.830 3.948 -0.118 17775 6118 1 11 . 1 1 15 15 THR C C 290 175.030 175.030 175.989 -0.959 17775 6119 1 11 . 1 1 15 15 THR CA C 290 67.790 67.790 67.365 0.425 17775 6120 1 11 . 1 1 15 15 THR CB C 290 68.660 68.660 68.680 -0.020 17775 6121 1 11 . 1 1 15 15 THR H H 290 8.040 8.040 8.081 -0.041 17775 6122 1 11 . 1 1 16 16 ALA N N 291 124.470 124.470 123.927 0.543 17775 6123 1 11 . 1 1 16 16 ALA HA H 291 3.850 3.850 3.908 -0.058 17775 6124 1 11 . 1 1 16 16 ALA C C 291 178.470 178.470 179.036 -0.566 17775 6125 1 11 . 1 1 16 16 ALA CA C 291 55.430 55.430 55.244 0.186 17775 6126 1 11 . 1 1 16 16 ALA CB C 291 17.820 17.820 18.147 -0.327 17775 6127 1 11 . 1 1 16 16 ALA H H 291 8.530 8.530 7.736 0.794 17775 6128 1 11 . 1 1 17 17 ASP N N 292 117.560 117.560 118.972 -1.412 17775 6129 1 11 . 1 1 17 17 ASP HA H 292 4.360 4.360 4.359 0.001 17775 6130 1 11 . 1 1 17 17 ASP C C 292 178.420 178.420 178.878 -0.458 17775 6131 1 11 . 1 1 17 17 ASP CA C 292 57.430 57.430 57.438 -0.008 17775 6132 1 11 . 1 1 17 17 ASP CB C 292 40.130 40.130 40.495 -0.365 17775 6133 1 11 . 1 1 17 17 ASP H H 292 8.290 8.290 7.989 0.301 17775 6134 1 11 . 1 1 18 18 LYS N N 293 119.100 119.100 119.908 -0.808 17775 6135 1 11 . 1 1 18 18 LYS HA H 293 4.010 4.010 4.158 -0.148 17775 6136 1 11 . 1 1 18 18 LYS C C 293 180.170 180.170 179.137 1.033 17775 6137 1 11 . 1 1 18 18 LYS CA C 293 59.020 59.020 59.480 -0.460 17775 6138 1 11 . 1 1 18 18 LYS CB C 293 32.270 32.270 32.490 -0.220 17775 6139 1 11 . 1 1 18 18 LYS H H 293 7.690 7.690 7.705 -0.015 17775 6140 1 11 . 1 1 19 19 ILE N N 294 122.510 122.510 119.874 2.636 17775 6141 1 11 . 1 1 19 19 ILE HA H 294 3.690 3.690 4.013 -0.323 17775 6142 1 11 . 1 1 19 19 ILE C C 294 178.920 178.920 178.707 0.213 17775 6143 1 11 . 1 1 19 19 ILE CA C 294 64.400 64.400 64.886 -0.486 17775 6144 1 11 . 1 1 19 19 ILE CB C 294 38.320 38.320 37.930 0.390 17775 6145 1 11 . 1 1 19 19 ILE H H 294 8.220 8.220 7.789 0.431 17775 6146 1 11 . 1 1 20 20 ALA N N 295 123.270 123.270 122.098 1.172 17775 6147 1 11 . 1 1 20 20 ALA HA H 295 3.850 3.850 4.069 -0.219 17775 6148 1 11 . 1 1 20 20 ALA C C 295 179.390 179.390 178.947 0.443 17775 6149 1 11 . 1 1 20 20 ALA CA C 295 55.370 55.370 54.832 0.538 17775 6150 1 11 . 1 1 20 20 ALA CB C 295 17.880 17.880 18.365 -0.485 17775 6151 1 11 . 1 1 20 20 ALA H H 295 8.580 8.580 7.822 0.758 17775 6152 1 11 . 1 1 21 21 GLU N N 296 115.530 115.530 116.379 -0.849 17775 6153 1 11 . 1 1 21 21 GLU HA H 296 4.160 4.160 4.192 -0.032 17775 6154 1 11 . 1 1 21 21 GLU C C 296 176.560 176.560 177.626 -1.066 17775 6155 1 11 . 1 1 21 21 GLU CA C 296 56.400 56.400 56.321 0.079 17775 6156 1 11 . 1 1 21 21 GLU CB C 296 29.830 29.830 29.706 0.124 17775 6157 1 11 . 1 1 21 21 GLU H H 296 7.680 7.680 7.774 -0.094 17775 6158 1 11 . 1 1 22 22 GLY N N 297 105.910 105.910 107.888 -1.978 17775 6159 1 11 . 1 1 22 22 GLY C C 297 174.160 174.160 174.326 -0.166 17775 6160 1 11 . 1 1 22 22 GLY CA C 297 45.040 45.040 44.654 0.386 17775 6161 1 11 . 1 1 22 22 GLY H H 297 7.820 7.820 7.978 -0.158 17775 6162 1 11 . 1 1 23 23 ASN N N 298 120.260 120.260 121.003 -0.743 17775 6163 1 11 . 1 1 23 23 ASN HA H 298 4.960 4.960 5.018 -0.058 17775 6164 1 11 . 1 1 23 23 ASN C C 298 174.560 174.560 175.920 -1.360 17775 6165 1 11 . 1 1 23 23 ASN CA C 298 51.800 51.800 51.180 0.620 17775 6166 1 11 . 1 1 23 23 ASN CB C 298 36.750 36.750 37.205 -0.455 17775 6167 1 11 . 1 1 23 23 ASN H H 298 8.070 8.070 8.079 -0.009 17775 6168 1 11 . 1 1 24 24 LEU N N 299 119.750 119.750 122.635 -2.885 17775 6169 1 11 . 1 1 24 24 LEU HA H 299 3.950 3.950 4.025 -0.075 17775 6170 1 11 . 1 1 24 24 LEU C C 299 176.390 176.390 178.172 -1.782 17775 6171 1 11 . 1 1 24 24 LEU CA C 299 56.250 56.250 57.483 -1.233 17775 6172 1 11 . 1 1 24 24 LEU CB C 299 41.260 41.260 41.530 -0.270 17775 6173 1 11 . 1 1 24 24 LEU H H 299 7.850 7.850 7.559 0.291 17775 6174 1 11 . 1 1 25 25 GLU N N 300 114.210 114.210 118.002 -3.792 17775 6175 1 11 . 1 1 25 25 GLU HA H 300 4.230 4.230 4.208 0.022 17775 6176 1 11 . 1 1 25 25 GLU C C 300 176.050 176.050 176.337 -0.287 17775 6177 1 11 . 1 1 25 25 GLU CA C 300 55.640 55.640 56.627 -0.987 17775 6178 1 11 . 1 1 25 25 GLU CB C 300 29.410 29.410 29.528 -0.118 17775 6179 1 11 . 1 1 25 25 GLU H H 300 7.840 7.840 8.463 -0.623 17775 6180 1 11 . 1 1 26 26 ALA N N 301 124.010 124.010 124.675 -0.665 17775 6181 1 11 . 1 1 26 26 ALA HA H 301 3.880 3.880 4.129 -0.249 17775 6182 1 11 . 1 1 26 26 ALA C C 301 175.390 175.390 177.069 -1.679 17775 6183 1 11 . 1 1 26 26 ALA CA C 301 52.890 52.890 52.332 0.558 17775 6184 1 11 . 1 1 26 26 ALA CB C 301 18.570 18.570 19.018 -0.448 17775 6185 1 11 . 1 1 26 26 ALA H H 301 6.770 6.770 7.311 -0.541 17775 6186 1 11 . 1 1 27 27 GLU N N 302 120.120 120.120 123.052 -2.932 17775 6187 1 11 . 1 1 27 27 GLU HA H 302 4.080 4.080 4.234 -0.154 17775 6188 1 11 . 1 1 27 27 GLU C C 302 176.510 176.510 176.340 0.170 17775 6189 1 11 . 1 1 27 27 GLU CA C 302 55.150 55.150 55.871 -0.721 17775 6190 1 11 . 1 1 27 27 GLU CB C 302 30.160 30.160 30.229 -0.069 17775 6191 1 11 . 1 1 27 27 GLU H H 302 7.880 7.880 8.351 -0.471 17775 6192 1 11 . 1 1 28 28 VAL N N 303 129.020 129.020 125.059 3.961 17775 6193 1 11 . 1 1 28 28 VAL HA H 303 4.230 4.230 4.188 0.042 17775 6194 1 11 . 1 1 28 28 VAL CA C 303 60.440 60.440 60.736 -0.296 17775 6195 1 11 . 1 1 28 28 VAL CB C 303 31.760 31.760 31.708 0.052 17775 6196 1 11 . 1 1 28 28 VAL H H 303 8.890 8.890 8.072 0.818 17775 6197 1 11 . 1 1 29 29 PRO HA H 304 4.400 4.400 4.611 -0.211 17775 6198 1 11 . 1 1 29 29 PRO CA C 304 62.790 62.790 62.207 0.583 17775 6199 1 11 . 1 1 29 29 PRO CB C 304 32.120 32.120 32.850 -0.730 17775 6200 1 11 . 1 1 30 30 HIS N N 305 103.640 103.640 112.855 -9.215 17775 6201 1 11 . 1 1 30 30 HIS HA H 305 4.210 4.210 4.224 -0.014 17775 6202 1 11 . 1 1 30 30 HIS C C 305 175.590 175.590 176.970 -1.380 17775 6203 1 11 . 1 1 30 30 HIS CA C 305 57.950 57.950 57.259 0.691 17775 6204 1 11 . 1 1 30 30 HIS CB C 305 27.910 27.910 27.609 0.301 17775 6205 1 11 . 1 1 30 30 HIS H H 305 7.780 7.780 8.316 -0.536 17775 6206 1 11 . 1 1 31 31 GLN N N 306 114.840 114.840 117.182 -2.342 17775 6207 1 11 . 1 1 31 31 GLN HA H 306 3.990 3.990 4.090 -0.100 17775 6208 1 11 . 1 1 31 31 GLN C C 306 176.290 176.290 176.126 0.164 17775 6209 1 11 . 1 1 31 31 GLN CA C 306 58.680 58.680 58.628 0.052 17775 6210 1 11 . 1 1 31 31 GLN CB C 306 30.630 30.630 28.880 1.750 17775 6211 1 11 . 1 1 31 31 GLN H H 306 8.010 8.010 8.503 -0.493 17775 6212 1 11 . 1 1 32 32 ASN N N 307 113.230 113.230 113.736 -0.506 17775 6213 1 11 . 1 1 32 32 ASN HA H 307 4.640 4.640 4.683 -0.043 17775 6214 1 11 . 1 1 32 32 ASN C C 307 175.610 175.610 175.503 0.107 17775 6215 1 11 . 1 1 32 32 ASN CA C 307 52.800 52.800 53.579 -0.779 17775 6216 1 11 . 1 1 32 32 ASN CB C 307 37.630 37.630 38.222 -0.592 17775 6217 1 11 . 1 1 32 32 ASN H H 307 8.360 8.360 8.389 -0.029 17775 6218 1 11 . 1 1 33 33 ARG N N 308 119.580 119.580 120.527 -0.947 17775 6219 1 11 . 1 1 33 33 ARG HA H 308 4.140 4.140 4.291 -0.151 17775 6220 1 11 . 1 1 33 33 ARG CA C 308 56.950 56.950 56.525 0.425 17775 6221 1 11 . 1 1 33 33 ARG CB C 308 33.030 33.030 31.032 1.998 17775 6222 1 11 . 1 1 33 33 ARG H H 308 7.160 7.160 7.479 -0.319 17775 6223 1 11 . 1 1 34 34 ALA HA H 309 4.530 4.530 4.270 0.260 17775 6224 1 11 . 1 1 34 34 ALA C C 309 176.610 176.610 177.077 -0.467 17775 6225 1 11 . 1 1 34 34 ALA CA C 309 51.650 51.650 52.735 -1.085 17775 6226 1 11 . 1 1 34 34 ALA CB C 309 18.830 18.830 19.148 -0.319 17775 6227 1 11 . 1 1 35 35 ASP N N 310 117.680 117.680 118.833 -1.153 17775 6228 1 11 . 1 1 35 35 ASP HA H 310 4.660 4.660 4.644 0.016 17775 6229 1 11 . 1 1 35 35 ASP C C 310 176.740 176.740 177.079 -0.339 17775 6230 1 11 . 1 1 35 35 ASP CA C 310 52.240 52.240 52.934 -0.694 17775 6231 1 11 . 1 1 35 35 ASP CB C 310 41.580 41.580 40.649 0.931 17775 6232 1 11 . 1 1 35 35 ASP H H 310 7.460 7.460 7.706 -0.246 17775 6233 1 11 . 1 1 36 36 GLU N N 311 118.110 118.110 117.285 0.825 17775 6234 1 11 . 1 1 36 36 GLU HA H 311 3.870 3.870 4.062 -0.192 17775 6235 1 11 . 1 1 36 36 GLU C C 311 177.440 177.440 178.412 -0.972 17775 6236 1 11 . 1 1 36 36 GLU CA C 311 60.460 60.460 59.797 0.663 17775 6237 1 11 . 1 1 36 36 GLU CB C 311 27.660 27.660 29.392 -1.732 17775 6238 1 11 . 1 1 36 36 GLU H H 311 9.910 9.910 8.662 1.248 17775 6239 1 11 . 1 1 37 37 ILE N N 312 118.790 118.790 119.475 -0.685 17775 6240 1 11 . 1 1 37 37 ILE HA H 312 3.570 3.570 3.865 -0.295 17775 6241 1 11 . 1 1 37 37 ILE C C 312 177.460 177.460 178.135 -0.675 17775 6242 1 11 . 1 1 37 37 ILE CA C 312 63.170 63.170 62.756 0.414 17775 6243 1 11 . 1 1 37 37 ILE CB C 312 35.770 35.770 36.610 -0.840 17775 6244 1 11 . 1 1 37 37 ILE H H 312 7.420 7.420 7.623 -0.203 17775 6245 1 11 . 1 1 38 38 GLY N N 313 108.320 108.320 109.190 -0.870 17775 6246 1 11 . 1 1 38 38 GLY C C 313 176.200 176.200 176.169 0.031 17775 6247 1 11 . 1 1 38 38 GLY CA C 313 47.090 47.090 47.366 -0.276 17775 6248 1 11 . 1 1 38 38 GLY H H 313 7.510 7.510 7.891 -0.381 17775 6249 1 11 . 1 1 39 39 ILE N N 314 121.890 121.890 122.486 -0.596 17775 6250 1 11 . 1 1 39 39 ILE HA H 314 3.630 3.630 3.686 -0.056 17775 6251 1 11 . 1 1 39 39 ILE C C 314 179.070 179.070 177.599 1.471 17775 6252 1 11 . 1 1 39 39 ILE CA C 314 64.750 64.750 65.021 -0.271 17775 6253 1 11 . 1 1 39 39 ILE CB C 314 37.610 37.610 37.987 -0.377 17775 6254 1 11 . 1 1 39 39 ILE H H 314 7.390 7.390 7.611 -0.221 17775 6255 1 11 . 1 1 40 40 LEU N N 315 121.370 121.370 121.383 -0.013 17775 6256 1 11 . 1 1 40 40 LEU HA H 315 4.120 4.120 4.048 0.072 17775 6257 1 11 . 1 1 40 40 LEU C C 315 178.560 178.560 178.177 0.383 17775 6258 1 11 . 1 1 40 40 LEU CA C 315 57.620 57.620 57.840 -0.220 17775 6259 1 11 . 1 1 40 40 LEU CB C 315 41.490 41.490 41.577 -0.087 17775 6260 1 11 . 1 1 40 40 LEU H H 315 7.770 7.770 7.815 -0.045 17775 6261 1 11 . 1 1 41 41 ALA N N 316 123.480 123.480 121.539 1.941 17775 6262 1 11 . 1 1 41 41 ALA HA H 316 3.840 3.840 3.927 -0.087 17775 6263 1 11 . 1 1 41 41 ALA C C 316 179.700 179.700 179.485 0.215 17775 6264 1 11 . 1 1 41 41 ALA CA C 316 56.180 56.180 55.472 0.708 17775 6265 1 11 . 1 1 41 41 ALA CB C 316 19.870 19.870 18.358 1.512 17775 6266 1 11 . 1 1 41 41 ALA H H 316 9.020 9.020 8.012 1.008 17775 6267 1 11 . 1 1 42 42 LYS N N 317 116.890 116.890 118.405 -1.515 17775 6268 1 11 . 1 1 42 42 LYS HA H 317 3.900 3.900 3.970 -0.070 17775 6269 1 11 . 1 1 42 42 LYS C C 317 179.730 179.730 179.163 0.567 17775 6270 1 11 . 1 1 42 42 LYS CA C 317 60.430 60.430 59.618 0.812 17775 6271 1 11 . 1 1 42 42 LYS H H 317 8.320 8.320 7.867 0.453 17775 6272 1 11 . 1 1 43 43 SER N N 318 119.130 119.130 115.710 3.420 17775 6273 1 11 . 1 1 43 43 SER HA H 318 4.340 4.340 4.181 0.159 17775 6274 1 11 . 1 1 43 43 SER C C 318 177.430 177.430 176.721 0.709 17775 6275 1 11 . 1 1 43 43 SER CA C 318 62.630 62.630 61.593 1.037 17775 6276 1 11 . 1 1 43 43 SER CB C 318 63.050 63.050 63.015 0.035 17775 6277 1 11 . 1 1 43 43 SER H H 318 8.060 8.060 7.866 0.194 17775 6278 1 11 . 1 1 44 44 ILE N N 319 124.020 124.020 123.065 0.955 17775 6279 1 11 . 1 1 44 44 ILE HA H 319 3.640 3.640 3.688 -0.048 17775 6280 1 11 . 1 1 44 44 ILE C C 319 177.190 177.190 177.856 -0.666 17775 6281 1 11 . 1 1 44 44 ILE CA C 319 65.020 65.020 65.062 -0.042 17775 6282 1 11 . 1 1 44 44 ILE CB C 319 36.790 36.790 37.641 -0.851 17775 6283 1 11 . 1 1 44 44 ILE H H 319 8.250 8.250 7.683 0.567 17775 6284 1 11 . 1 1 45 45 GLU N N 320 123.090 123.090 120.765 2.325 17775 6285 1 11 . 1 1 45 45 GLU HA H 320 4.600 4.600 3.956 0.644 17775 6286 1 11 . 1 1 45 45 GLU C C 320 178.190 178.190 178.630 -0.440 17775 6287 1 11 . 1 1 45 45 GLU CA C 320 58.430 58.430 59.495 -1.065 17775 6288 1 11 . 1 1 45 45 GLU CB C 320 27.700 27.700 29.215 -1.515 17775 6289 1 11 . 1 1 45 45 GLU H H 320 8.390 8.390 7.961 0.429 17775 6290 1 11 . 1 1 46 46 ARG N N 321 119.760 119.760 119.243 0.517 17775 6291 1 11 . 1 1 46 46 ARG HA H 321 3.930 3.930 4.048 -0.118 17775 6292 1 11 . 1 1 46 46 ARG C C 321 179.950 179.950 179.079 0.871 17775 6293 1 11 . 1 1 46 46 ARG CA C 321 60.440 60.440 59.352 1.088 17775 6294 1 11 . 1 1 46 46 ARG CB C 321 29.770 29.770 30.116 -0.346 17775 6295 1 11 . 1 1 46 46 ARG H H 321 8.000 8.000 7.757 0.243 17775 6296 1 11 . 1 1 47 47 LEU N N 322 121.360 121.360 119.537 1.823 17775 6297 1 11 . 1 1 47 47 LEU HA H 322 4.020 4.020 4.023 -0.003 17775 6298 1 11 . 1 1 47 47 LEU C C 322 178.040 178.040 178.776 -0.736 17775 6299 1 11 . 1 1 47 47 LEU CA C 322 58.550 58.550 57.970 0.580 17775 6300 1 11 . 1 1 47 47 LEU CB C 322 41.650 41.650 41.508 0.142 17775 6301 1 11 . 1 1 47 47 LEU H H 322 7.870 7.870 7.873 -0.003 17775 6302 1 11 . 1 1 48 48 ARG N N 323 121.390 121.390 119.445 1.945 17775 6303 1 11 . 1 1 48 48 ARG HA H 323 3.690 3.690 3.927 -0.237 17775 6304 1 11 . 1 1 48 48 ARG C C 323 178.120 178.120 178.526 -0.406 17775 6305 1 11 . 1 1 48 48 ARG CA C 323 60.630 60.630 59.838 0.792 17775 6306 1 11 . 1 1 48 48 ARG CB C 323 30.230 30.230 30.024 0.206 17775 6307 1 11 . 1 1 48 48 ARG H H 323 8.730 8.730 7.923 0.807 17775 6308 1 11 . 1 1 49 49 ARG N N 324 116.720 116.720 118.379 -1.659 17775 6309 1 11 . 1 1 49 49 ARG HA H 324 3.840 3.840 4.011 -0.171 17775 6310 1 11 . 1 1 49 49 ARG C C 324 179.060 179.060 178.724 0.336 17775 6311 1 11 . 1 1 49 49 ARG CA C 324 59.930 59.930 59.831 0.099 17775 6312 1 11 . 1 1 49 49 ARG CB C 324 29.830 29.830 30.138 -0.308 17775 6313 1 11 . 1 1 49 49 ARG H H 324 8.550 8.550 8.193 0.357 17775 6314 1 11 . 1 1 50 50 SER N N 325 117.600 117.600 116.366 1.234 17775 6315 1 11 . 1 1 50 50 SER HA H 325 4.120 4.120 4.204 -0.084 17775 6316 1 11 . 1 1 50 50 SER C C 325 176.050 176.050 176.487 -0.437 17775 6317 1 11 . 1 1 50 50 SER CA C 325 62.630 62.630 62.549 0.081 17775 6318 1 11 . 1 1 50 50 SER CB C 325 62.950 62.950 63.035 -0.085 17775 6319 1 11 . 1 1 50 50 SER H H 325 8.170 8.170 7.734 0.436 17775 6320 1 11 . 1 1 51 51 LEU N N 326 123.730 123.730 122.012 1.718 17775 6321 1 11 . 1 1 51 51 LEU HA H 326 3.990 3.990 3.953 0.037 17775 6322 1 11 . 1 1 51 51 LEU C C 326 177.380 177.380 178.532 -1.152 17775 6323 1 11 . 1 1 51 51 LEU CA C 326 58.580 58.580 58.156 0.424 17775 6324 1 11 . 1 1 51 51 LEU CB C 326 42.190 42.190 41.582 0.608 17775 6325 1 11 . 1 1 51 51 LEU H H 326 8.190 8.190 7.745 0.445 17775 6326 1 11 . 1 1 52 52 LYS N N 327 119.170 119.170 119.094 0.076 17775 6327 1 11 . 1 1 52 52 LYS HA H 327 3.860 3.860 3.899 -0.039 17775 6328 1 11 . 1 1 52 52 LYS C C 327 179.050 179.050 179.177 -0.127 17775 6329 1 11 . 1 1 52 52 LYS CA C 327 59.700 59.700 59.540 0.160 17775 6330 1 11 . 1 1 52 52 LYS CB C 327 32.020 32.020 32.233 -0.213 17775 6331 1 11 . 1 1 52 52 LYS H H 327 8.580 8.580 8.032 0.548 17775 6332 1 11 . 1 1 53 53 GLN N N 328 118.180 118.180 118.785 -0.605 17775 6333 1 11 . 1 1 53 53 GLN HA H 328 4.080 4.080 4.054 0.026 17775 6334 1 11 . 1 1 53 53 GLN C C 328 177.960 177.960 178.647 -0.687 17775 6335 1 11 . 1 1 53 53 GLN CA C 328 58.690 58.690 59.144 -0.454 17775 6336 1 11 . 1 1 53 53 GLN CB C 328 28.450 28.450 28.749 -0.299 17775 6337 1 11 . 1 1 53 53 GLN H H 328 8.080 8.080 7.980 0.100 17775 6338 1 11 . 1 1 54 54 LEU N N 329 118.740 118.740 119.876 -1.136 17775 6339 1 11 . 1 1 54 54 LEU HA H 329 4.150 4.150 3.965 0.185 17775 6340 1 11 . 1 1 54 54 LEU C C 329 179.580 179.580 178.770 0.810 17775 6341 1 11 . 1 1 54 54 LEU CA C 329 58.080 58.080 57.977 0.103 17775 6342 1 11 . 1 1 54 54 LEU CB C 329 42.620 42.620 41.758 0.862 17775 6343 1 11 . 1 1 54 54 LEU H H 329 7.680 7.680 8.021 -0.341 17775 6344 1 11 . 1 1 55 55 ALA N N 330 123.330 123.330 121.905 1.425 17775 6345 1 11 . 1 1 55 55 ALA HA H 330 4.050 4.050 3.909 0.141 17775 6346 1 11 . 1 1 55 55 ALA C C 330 180.530 180.530 179.466 1.064 17775 6347 1 11 . 1 1 55 55 ALA CA C 330 55.630 55.630 55.399 0.231 17775 6348 1 11 . 1 1 55 55 ALA CB C 330 18.320 18.320 17.996 0.324 17775 6349 1 11 . 1 1 55 55 ALA H H 330 8.390 8.390 7.894 0.496 17775 6350 1 11 . 1 1 56 56 ASP N N 331 121.350 121.350 119.331 2.019 17775 6351 1 11 . 1 1 56 56 ASP HA H 331 4.420 4.420 4.341 0.079 17775 6352 1 11 . 1 1 56 56 ASP C C 331 179.100 179.100 178.457 0.643 17775 6353 1 11 . 1 1 56 56 ASP CA C 331 57.430 57.430 57.582 -0.152 17775 6354 1 11 . 1 1 56 56 ASP CB C 331 39.630 39.630 40.336 -0.706 17775 6355 1 11 . 1 1 56 56 ASP H H 331 8.820 8.820 8.010 0.810 17775 6356 1 11 . 1 1 57 57 ASP N N 332 121.570 121.570 119.715 1.855 17775 6357 1 11 . 1 1 57 57 ASP HA H 332 4.490 4.490 4.340 0.150 17775 6358 1 11 . 1 1 57 57 ASP C C 332 179.080 179.080 178.476 0.604 17775 6359 1 11 . 1 1 57 57 ASP CA C 332 57.380 57.380 57.257 0.123 17775 6360 1 11 . 1 1 57 57 ASP CB C 332 40.440 40.440 40.580 -0.140 17775 6361 1 11 . 1 1 57 57 ASP H H 332 8.420 8.420 8.059 0.361 17775 6362 1 11 . 1 1 58 58 ARG N N 333 120.250 120.250 119.886 0.364 17775 6363 1 11 . 1 1 58 58 ARG HA H 333 3.940 3.940 3.979 -0.039 17775 6364 1 11 . 1 1 58 58 ARG C C 333 177.770 177.770 178.599 -0.829 17775 6365 1 11 . 1 1 58 58 ARG CA C 333 58.790 58.790 59.634 -0.844 17775 6366 1 11 . 1 1 58 58 ARG CB C 333 30.300 30.300 30.408 -0.108 17775 6367 1 11 . 1 1 58 58 ARG H H 333 7.900 7.900 7.793 0.107 17775 6368 1 11 . 1 1 59 59 THR N N 334 115.160 115.160 113.599 1.561 17775 6369 1 11 . 1 1 59 59 THR HA H 334 3.960 3.960 4.047 -0.087 17775 6370 1 11 . 1 1 59 59 THR C C 334 176.690 176.690 176.753 -0.063 17775 6371 1 11 . 1 1 59 59 THR CA C 334 66.430 66.430 66.187 0.243 17775 6372 1 11 . 1 1 59 59 THR CB C 334 68.720 68.720 68.677 0.043 17775 6373 1 11 . 1 1 59 59 THR H H 334 7.940 7.940 7.655 0.285 17775 6374 1 11 . 1 1 60 60 LEU N N 335 123.040 123.040 122.360 0.680 17775 6375 1 11 . 1 1 60 60 LEU HA H 335 4.070 4.070 3.967 0.103 17775 6376 1 11 . 1 1 60 60 LEU C C 335 180.040 180.040 179.146 0.894 17775 6377 1 11 . 1 1 60 60 LEU CA C 335 57.690 57.690 57.401 0.289 17775 6378 1 11 . 1 1 60 60 LEU CB C 335 41.810 41.810 41.451 0.359 17775 6379 1 11 . 1 1 60 60 LEU H H 335 7.860 7.860 7.665 0.195 17775 6380 1 11 . 1 1 61 61 LEU N N 336 121.600 121.600 120.383 1.217 17775 6381 1 11 . 1 1 61 61 LEU HA H 336 4.020 4.020 3.886 0.134 17775 6382 1 11 . 1 1 61 61 LEU C C 336 179.360 179.360 178.460 0.900 17775 6383 1 11 . 1 1 61 61 LEU CA C 336 57.900 57.900 58.253 -0.353 17775 6384 1 11 . 1 1 61 61 LEU CB C 336 41.970 41.970 41.864 0.106 17775 6385 1 11 . 1 1 61 61 LEU H H 336 8.180 8.180 8.010 0.170 17775 6386 1 11 . 1 1 62 62 MET N N 337 116.900 116.900 118.332 -1.432 17775 6387 1 11 . 1 1 62 62 MET HA H 337 4.110 4.110 3.897 0.213 17775 6388 1 11 . 1 1 62 62 MET C C 337 179.750 179.750 178.001 1.749 17775 6389 1 11 . 1 1 62 62 MET CA C 337 57.850 57.850 58.942 -1.092 17775 6390 1 11 . 1 1 62 62 MET CB C 337 32.200 32.200 32.452 -0.251 17775 6391 1 11 . 1 1 62 62 MET H H 337 8.160 8.160 7.642 0.518 17775 6392 1 11 . 1 1 63 63 ALA N N 338 122.990 122.990 120.466 2.524 17775 6393 1 11 . 1 1 63 63 ALA HA H 338 4.110 4.110 4.007 0.103 17775 6394 1 11 . 1 1 63 63 ALA C C 338 180.420 180.420 179.503 0.917 17775 6395 1 11 . 1 1 63 63 ALA CA C 338 55.270 55.270 55.265 0.005 17775 6396 1 11 . 1 1 63 63 ALA CB C 338 17.960 17.960 18.005 -0.045 17775 6397 1 11 . 1 1 63 63 ALA H H 338 8.090 8.090 7.834 0.256 17775 6398 1 11 . 1 1 64 64 GLY N N 339 106.980 106.980 106.989 -0.009 17775 6399 1 11 . 1 1 64 64 GLY C C 339 175.240 175.240 176.254 -1.014 17775 6400 1 11 . 1 1 64 64 GLY CA C 339 47.190 47.190 47.298 -0.108 17775 6401 1 11 . 1 1 64 64 GLY H H 339 8.070 8.070 7.952 0.118 17775 6402 1 11 . 1 1 65 65 VAL N N 340 120.660 120.660 121.547 -0.887 17775 6403 1 11 . 1 1 65 65 VAL HA H 340 3.780 3.780 3.684 0.096 17775 6404 1 11 . 1 1 65 65 VAL C C 340 176.960 176.960 178.008 -1.048 17775 6405 1 11 . 1 1 65 65 VAL CA C 340 65.620 65.620 65.114 0.506 17775 6406 1 11 . 1 1 65 65 VAL CB C 340 31.690 31.690 30.734 0.956 17775 6407 1 11 . 1 1 65 65 VAL H H 340 8.100 8.100 7.602 0.498 17775 6408 1 11 . 1 1 66 66 SER N N 341 112.150 112.150 115.402 -3.252 17775 6409 1 11 . 1 1 66 66 SER HA H 341 4.000 4.000 4.011 -0.011 17775 6410 1 11 . 1 1 66 66 SER C C 341 175.860 175.860 176.578 -0.718 17775 6411 1 11 . 1 1 66 66 SER CA C 341 61.240 61.240 62.115 -0.875 17775 6412 1 11 . 1 1 66 66 SER CB C 341 63.260 63.260 63.162 0.098 17775 6413 1 11 . 1 1 66 66 SER H H 341 7.810 7.810 7.955 -0.145 17775 6414 1 11 . 1 1 67 67 HIS N N 342 118.910 118.910 120.381 -1.471 17775 6415 1 11 . 1 1 67 67 HIS HA H 342 4.440 4.440 4.247 0.193 17775 6416 1 11 . 1 1 67 67 HIS C C 342 177.780 177.780 178.114 -0.334 17775 6417 1 11 . 1 1 67 67 HIS CA C 342 59.160 59.160 59.913 -0.753 17775 6418 1 11 . 1 1 67 67 HIS CB C 342 30.400 30.400 29.976 0.424 17775 6419 1 11 . 1 1 67 67 HIS H H 342 7.830 7.830 7.870 -0.040 17775 6420 1 11 . 1 1 68 68 ASP N N 343 120.590 120.590 119.866 0.724 17775 6421 1 11 . 1 1 68 68 ASP HA H 343 4.440 4.440 4.411 0.029 17775 6422 1 11 . 1 1 68 68 ASP C C 343 178.470 178.470 178.862 -0.392 17775 6423 1 11 . 1 1 68 68 ASP CA C 343 57.500 57.500 57.191 0.309 17775 6424 1 11 . 1 1 68 68 ASP CB C 343 39.880 39.880 40.560 -0.680 17775 6425 1 11 . 1 1 68 68 ASP H H 343 8.580 8.580 7.957 0.623 17775 6426 1 11 . 1 1 69 69 LEU N N 344 117.900 117.900 120.146 -2.246 17775 6427 1 11 . 1 1 69 69 LEU HA H 344 4.190 4.190 4.016 0.174 17775 6428 1 11 . 1 1 69 69 LEU C C 344 177.010 177.010 178.351 -1.341 17775 6429 1 11 . 1 1 69 69 LEU CA C 344 56.810 56.810 57.353 -0.543 17775 6430 1 11 . 1 1 69 69 LEU CB C 344 43.300 43.300 41.597 1.703 17775 6431 1 11 . 1 1 69 69 LEU H H 344 8.300 8.300 8.026 0.274 17775 6432 1 11 . 1 1 70 70 ARG N N 345 114.380 114.380 118.314 -3.934 17775 6433 1 11 . 1 1 70 70 ARG HA H 345 3.930 3.930 3.907 0.023 17775 6434 1 11 . 1 1 70 70 ARG C C 345 178.840 178.840 178.058 0.782 17775 6435 1 11 . 1 1 70 70 ARG CA C 345 59.420 59.420 59.797 -0.378 17775 6436 1 11 . 1 1 70 70 ARG CB C 345 30.210 30.210 29.969 0.241 17775 6437 1 11 . 1 1 70 70 ARG H H 345 7.280 7.280 7.795 -0.515 17775 6438 1 11 . 1 1 71 71 THR N N 346 115.370 115.370 115.330 0.040 17775 6439 1 11 . 1 1 71 71 THR HA H 346 4.060 4.060 4.140 -0.080 17775 6440 1 11 . 1 1 71 71 THR CA C 346 68.800 68.800 68.774 0.026 17775 6441 1 11 . 1 1 71 71 THR CB C 346 66.590 66.590 66.606 -0.016 17775 6442 1 11 . 1 1 71 71 THR H H 346 7.540 7.540 7.630 -0.090 17775 6443 1 11 . 1 1 72 72 PRO HA H 347 4.090 4.090 4.267 -0.177 17775 6444 1 11 . 1 1 72 72 PRO CA C 347 65.860 65.860 65.817 0.043 17775 6445 1 11 . 1 1 72 72 PRO CB C 347 31.380 31.380 31.287 0.093 17775 6446 1 11 . 1 1 73 73 LEU N N 348 114.830 114.830 119.374 -4.544 17775 6447 1 11 . 1 1 73 73 LEU HA H 348 3.950 3.950 3.863 0.087 17775 6448 1 11 . 1 1 73 73 LEU C C 348 179.120 179.120 179.007 0.113 17775 6449 1 11 . 1 1 73 73 LEU CA C 348 58.450 58.450 58.481 -0.031 17775 6450 1 11 . 1 1 73 73 LEU CB C 348 41.320 41.320 41.390 -0.070 17775 6451 1 11 . 1 1 73 73 LEU H H 348 6.970 6.970 7.710 -0.740 17775 6452 1 11 . 1 1 74 74 THR N N 349 116.230 116.230 114.529 1.701 17775 6453 1 11 . 1 1 74 74 THR HA H 349 3.880 3.880 3.942 -0.062 17775 6454 1 11 . 1 1 74 74 THR C C 349 176.100 176.100 177.030 -0.930 17775 6455 1 11 . 1 1 74 74 THR CA C 349 66.760 66.760 66.563 0.197 17775 6456 1 11 . 1 1 74 74 THR CB C 349 68.770 68.770 68.280 0.490 17775 6457 1 11 . 1 1 74 74 THR H H 349 8.090 8.090 8.117 -0.027 17775 6458 1 11 . 1 1 75 75 ARG N N 350 121.190 121.190 121.555 -0.365 17775 6459 1 11 . 1 1 75 75 ARG HA H 350 3.970 3.970 4.035 -0.065 17775 6460 1 11 . 1 1 75 75 ARG C C 350 180.130 180.130 178.812 1.318 17775 6461 1 11 . 1 1 75 75 ARG CA C 350 61.030 61.030 59.614 1.416 17775 6462 1 11 . 1 1 75 75 ARG CB C 350 31.080 31.080 30.009 1.071 17775 6463 1 11 . 1 1 75 75 ARG H H 350 7.570 7.570 7.590 -0.020 17775 6464 1 11 . 1 1 76 76 ILE N N 351 122.150 122.150 120.165 1.985 17775 6465 1 11 . 1 1 76 76 ILE HA H 351 3.700 3.700 3.639 0.061 17775 6466 1 11 . 1 1 76 76 ILE C C 351 177.070 177.070 177.621 -0.551 17775 6467 1 11 . 1 1 76 76 ILE CA C 351 65.560 65.560 65.239 0.321 17775 6468 1 11 . 1 1 76 76 ILE CB C 351 37.650 37.650 37.481 0.169 17775 6469 1 11 . 1 1 76 76 ILE H H 351 8.060 8.060 8.066 -0.006 17775 6470 1 11 . 1 1 77 77 ARG N N 352 120.120 120.120 120.544 -0.424 17775 6471 1 11 . 1 1 77 77 ARG HA H 352 3.930 3.930 4.022 -0.092 17775 6472 1 11 . 1 1 77 77 ARG C C 352 179.580 179.580 179.006 0.574 17775 6473 1 11 . 1 1 77 77 ARG CA C 352 59.340 59.340 59.504 -0.164 17775 6474 1 11 . 1 1 77 77 ARG CB C 352 29.690 29.690 30.230 -0.539 17775 6475 1 11 . 1 1 77 77 ARG H H 352 7.700 7.700 7.681 0.019 17775 6476 1 11 . 1 1 78 78 LEU N N 353 119.970 119.970 119.066 0.904 17775 6477 1 11 . 1 1 78 78 LEU HA H 353 4.000 4.000 4.113 -0.113 17775 6478 1 11 . 1 1 78 78 LEU C C 353 179.600 179.600 178.827 0.773 17775 6479 1 11 . 1 1 78 78 LEU CA C 353 57.910 57.910 58.190 -0.280 17775 6480 1 11 . 1 1 78 78 LEU CB C 353 41.430 41.430 41.963 -0.533 17775 6481 1 11 . 1 1 78 78 LEU H H 353 8.260 8.260 7.839 0.421 17775 6482 1 11 . 1 1 79 79 ALA N N 354 122.390 122.390 120.482 1.908 17775 6483 1 11 . 1 1 79 79 ALA HA H 354 4.070 4.070 4.018 0.052 17775 6484 1 11 . 1 1 79 79 ALA C C 354 180.620 180.620 179.984 0.636 17775 6485 1 11 . 1 1 79 79 ALA CA C 354 55.270 55.270 55.032 0.238 17775 6486 1 11 . 1 1 79 79 ALA CB C 354 18.030 18.030 18.437 -0.407 17775 6487 1 11 . 1 1 79 79 ALA H H 354 7.850 7.850 7.874 -0.024 17775 6488 1 11 . 1 1 80 80 THR N N 355 107.540 107.540 110.847 -3.307 17775 6489 1 11 . 1 1 80 80 THR HA H 355 3.990 3.990 4.045 -0.055 17775 6490 1 11 . 1 1 80 80 THR C C 355 177.250 177.250 176.408 0.842 17775 6491 1 11 . 1 1 80 80 THR CA C 355 64.970 64.970 65.240 -0.270 17775 6492 1 11 . 1 1 80 80 THR CB C 355 69.020 69.020 68.354 0.666 17775 6493 1 11 . 1 1 80 80 THR H H 355 7.930 7.930 8.001 -0.071 17775 6494 1 11 . 1 1 81 81 GLU N N 356 120.380 120.380 119.945 0.435 17775 6495 1 11 . 1 1 81 81 GLU HA H 356 4.090 4.090 4.213 -0.123 17775 6496 1 11 . 1 1 81 81 GLU C C 356 177.280 177.280 177.499 -0.219 17775 6497 1 11 . 1 1 81 81 GLU CA C 356 58.020 58.020 58.032 -0.012 17775 6498 1 11 . 1 1 81 81 GLU CB C 356 29.490 29.490 29.393 0.097 17775 6499 1 11 . 1 1 81 81 GLU H H 356 7.380 7.380 7.571 -0.191 17775 6500 1 11 . 1 1 82 82 MET N N 357 115.510 115.510 116.635 -1.125 17775 6501 1 11 . 1 1 82 82 MET HA H 357 4.480 4.480 4.306 0.174 17775 6502 1 11 . 1 1 82 82 MET C C 357 176.140 176.140 176.557 -0.417 17775 6503 1 11 . 1 1 82 82 MET CA C 357 54.810 54.810 55.997 -1.187 17775 6504 1 11 . 1 1 82 82 MET CB C 357 32.660 32.660 33.464 -0.804 17775 6505 1 11 . 1 1 82 82 MET H H 357 7.480 7.480 7.398 0.082 17775 6506 1 11 . 1 1 83 83 MET N N 358 119.530 119.530 119.632 -0.102 17775 6507 1 11 . 1 1 83 83 MET HA H 358 4.020 4.020 4.277 -0.257 17775 6508 1 11 . 1 1 83 83 MET C C 358 175.670 175.670 175.636 0.034 17775 6509 1 11 . 1 1 83 83 MET CA C 358 57.430 57.430 55.710 1.720 17775 6510 1 11 . 1 1 83 83 MET CB C 358 33.860 33.860 33.150 0.710 17775 6511 1 11 . 1 1 83 83 MET H H 358 7.010 7.010 7.509 -0.499 17775 6512 1 11 . 1 1 84 84 SER N N 359 119.110 119.110 118.140 0.970 17775 6513 1 11 . 1 1 84 84 SER HA H 359 4.300 4.300 4.506 -0.206 17775 6514 1 11 . 1 1 84 84 SER C C 359 176.160 176.160 175.766 0.394 17775 6515 1 11 . 1 1 84 84 SER CA C 359 59.170 59.170 57.760 1.410 17775 6516 1 11 . 1 1 84 84 SER CB C 359 64.540 64.540 64.113 0.427 17775 6517 1 11 . 1 1 84 84 SER H H 359 9.630 9.630 8.219 1.411 17775 6518 1 11 . 1 1 85 85 GLU N N 360 124.090 124.090 121.425 2.665 17775 6519 1 11 . 1 1 85 85 GLU CA C 360 58.880 58.880 59.050 -0.170 17775 6520 1 11 . 1 1 85 85 GLU CB C 360 29.560 29.560 29.162 0.398 17775 6521 1 11 . 1 1 85 85 GLU H H 360 8.810 8.810 9.000 -0.190 17775 6522 1 11 . 1 1 86 86 GLN HA H 361 4.220 4.220 4.185 0.035 17775 6523 1 11 . 1 1 86 86 GLN C C 361 176.370 176.370 176.995 -0.625 17775 6524 1 11 . 1 1 86 86 GLN CA C 361 58.440 58.440 57.991 0.449 17775 6525 1 11 . 1 1 86 86 GLN CB C 361 28.290 28.290 28.680 -0.390 17775 6526 1 11 . 1 1 87 87 ASP N N 362 118.700 118.700 118.297 0.403 17775 6527 1 11 . 1 1 87 87 ASP HA H 362 5.070 5.070 4.548 0.522 17775 6528 1 11 . 1 1 87 87 ASP C C 362 176.740 176.740 176.313 0.427 17775 6529 1 11 . 1 1 87 87 ASP CA C 362 53.710 53.710 52.950 0.760 17775 6530 1 11 . 1 1 87 87 ASP CB C 362 40.980 40.980 40.597 0.383 17775 6531 1 11 . 1 1 87 87 ASP H H 362 7.640 7.640 7.529 0.111 17775 6532 1 11 . 1 1 88 88 GLY N N 363 110.410 110.410 109.118 1.292 17775 6533 1 11 . 1 1 88 88 GLY CA C 363 47.890 47.890 47.467 0.423 17775 6534 1 11 . 1 1 88 88 GLY H H 363 7.940 7.940 7.998 -0.058 17775 6535 1 11 . 1 1 89 89 TYR HA H 364 4.430 4.430 4.529 -0.099 17775 6536 1 11 . 1 1 89 89 TYR C C 364 177.600 177.600 177.882 -0.282 17775 6537 1 11 . 1 1 89 89 TYR CA C 364 59.970 59.970 58.971 0.999 17775 6538 1 11 . 1 1 89 89 TYR CB C 364 37.100 37.100 36.848 0.252 17775 6539 1 11 . 1 1 89 89 TYR H H 364 8.470 8.470 8.219 0.251 17775 6540 1 11 . 1 1 90 90 LEU N N 365 124.000 124.000 119.953 4.047 17775 6541 1 11 . 1 1 90 90 LEU HA H 365 3.920 3.920 3.977 -0.057 17775 6542 1 11 . 1 1 90 90 LEU C C 365 178.180 178.180 178.653 -0.473 17775 6543 1 11 . 1 1 90 90 LEU CA C 365 57.050 57.050 56.616 0.434 17775 6544 1 11 . 1 1 90 90 LEU CB C 365 41.930 41.930 41.276 0.654 17775 6545 1 11 . 1 1 90 90 LEU H H 365 7.080 7.080 7.142 -0.062 17775 6546 1 11 . 1 1 91 91 ALA N N 366 123.150 123.150 122.160 0.990 17775 6547 1 11 . 1 1 91 91 ALA HA H 366 3.790 3.790 3.967 -0.177 17775 6548 1 11 . 1 1 91 91 ALA C C 366 179.610 179.610 179.577 0.033 17775 6549 1 11 . 1 1 91 91 ALA CA C 366 55.910 55.910 54.812 1.098 17775 6550 1 11 . 1 1 91 91 ALA CB C 366 18.450 18.450 18.244 0.206 17775 6551 1 11 . 1 1 91 91 ALA H H 366 7.880 7.880 7.673 0.207 17775 6552 1 11 . 1 1 92 92 GLU N N 367 116.750 116.750 118.316 -1.566 17775 6553 1 11 . 1 1 92 92 GLU HA H 367 4.010 4.010 4.003 0.007 17775 6554 1 11 . 1 1 92 92 GLU C C 367 177.910 177.910 179.138 -1.228 17775 6555 1 11 . 1 1 92 92 GLU CA C 367 59.420 59.420 59.460 -0.040 17775 6556 1 11 . 1 1 92 92 GLU CB C 367 29.620 29.620 29.484 0.136 17775 6557 1 11 . 1 1 92 92 GLU H H 367 8.100 8.100 8.352 -0.252 17775 6558 1 11 . 1 1 93 93 SER N N 368 115.480 115.480 116.121 -0.641 17775 6559 1 11 . 1 1 93 93 SER HA H 368 4.060 4.060 4.203 -0.143 17775 6560 1 11 . 1 1 93 93 SER C C 368 176.360 176.360 176.482 -0.122 17775 6561 1 11 . 1 1 93 93 SER CA C 368 61.610 61.610 62.146 -0.536 17775 6562 1 11 . 1 1 93 93 SER CB C 368 63.080 63.080 62.906 0.174 17775 6563 1 11 . 1 1 93 93 SER H H 368 7.520 7.520 7.472 0.048 17775 6564 1 11 . 1 1 94 94 ILE N N 369 121.710 121.710 122.385 -0.675 17775 6565 1 11 . 1 1 94 94 ILE HA H 369 4.000 4.000 3.902 0.098 17775 6566 1 11 . 1 1 94 94 ILE C C 369 178.000 178.000 177.913 0.087 17775 6567 1 11 . 1 1 94 94 ILE CA C 369 65.470 65.470 64.826 0.644 17775 6568 1 11 . 1 1 94 94 ILE CB C 369 38.030 38.030 37.648 0.382 17775 6569 1 11 . 1 1 94 94 ILE H H 369 8.400 8.400 7.436 0.964 17775 6570 1 11 . 1 1 95 95 ASN N N 370 117.810 117.810 118.935 -1.125 17775 6571 1 11 . 1 1 95 95 ASN HA H 370 4.290 4.290 4.364 -0.074 17775 6572 1 11 . 1 1 95 95 ASN C C 370 179.730 179.730 177.504 2.226 17775 6573 1 11 . 1 1 95 95 ASN CA C 370 57.340 57.340 57.181 0.159 17775 6574 1 11 . 1 1 95 95 ASN CB C 370 38.280 38.280 38.356 -0.076 17775 6575 1 11 . 1 1 95 95 ASN H H 370 8.270 8.270 8.190 0.080 17775 6576 1 11 . 1 1 96 96 LYS N N 371 121.220 121.220 120.057 1.163 17775 6577 1 11 . 1 1 96 96 LYS HA H 371 4.090 4.090 4.007 0.083 17775 6578 1 11 . 1 1 96 96 LYS C C 371 179.250 179.250 178.664 0.586 17775 6579 1 11 . 1 1 96 96 LYS CA C 371 59.650 59.650 59.616 0.034 17775 6580 1 11 . 1 1 96 96 LYS CB C 371 31.730 31.730 32.351 -0.621 17775 6581 1 11 . 1 1 96 96 LYS H H 371 7.960 7.960 7.934 0.026 17775 6582 1 11 . 1 1 97 97 ASP N N 372 122.870 122.870 120.194 2.676 17775 6583 1 11 . 1 1 97 97 ASP HA H 372 4.060 4.060 4.660 -0.600 17775 6584 1 11 . 1 1 97 97 ASP C C 372 179.300 179.300 178.861 0.439 17775 6585 1 11 . 1 1 97 97 ASP CA C 372 58.400 58.400 57.161 1.239 17775 6586 1 11 . 1 1 97 97 ASP CB C 372 41.130 41.130 40.530 0.600 17775 6587 1 11 . 1 1 97 97 ASP H H 372 7.920 7.920 7.815 0.105 17775 6588 1 11 . 1 1 98 98 ILE N N 373 123.090 123.090 120.189 2.901 17775 6589 1 11 . 1 1 98 98 ILE HA H 373 3.620 3.620 3.628 -0.008 17775 6590 1 11 . 1 1 98 98 ILE C C 373 178.330 178.330 177.796 0.534 17775 6591 1 11 . 1 1 98 98 ILE CA C 373 65.080 65.080 65.540 -0.460 17775 6592 1 11 . 1 1 98 98 ILE CB C 373 37.260 37.260 37.707 -0.447 17775 6593 1 11 . 1 1 98 98 ILE H H 373 8.720 8.720 7.745 0.975 17775 6594 1 11 . 1 1 99 99 GLU N N 374 120.550 120.550 120.209 0.341 17775 6595 1 11 . 1 1 99 99 GLU HA H 374 4.120 4.120 3.916 0.204 17775 6596 1 11 . 1 1 99 99 GLU C C 374 179.740 179.740 179.190 0.550 17775 6597 1 11 . 1 1 99 99 GLU CA C 374 59.570 59.570 59.940 -0.370 17775 6598 1 11 . 1 1 99 99 GLU CB C 374 28.910 28.910 29.302 -0.392 17775 6599 1 11 . 1 1 99 99 GLU H H 374 8.100 8.100 7.925 0.175 17775 6600 1 11 . 1 1 100 100 GLU N N 375 122.040 122.040 119.922 2.118 17775 6601 1 11 . 1 1 100 100 GLU HA H 375 4.140 4.140 4.047 0.093 17775 6602 1 11 . 1 1 100 100 GLU C C 375 178.810 178.810 179.061 -0.251 17775 6603 1 11 . 1 1 100 100 GLU CA C 375 59.830 59.830 59.297 0.534 17775 6604 1 11 . 1 1 100 100 GLU CB C 375 29.220 29.220 29.526 -0.306 17775 6605 1 11 . 1 1 100 100 GLU H H 375 8.060 8.060 7.831 0.229 17775 6606 1 11 . 1 1 101 101 CYS N N 376 117.330 117.330 118.222 -0.892 17775 6607 1 11 . 1 1 101 101 CYS HA H 376 3.960 3.960 4.013 -0.053 17775 6608 1 11 . 1 1 101 101 CYS C C 376 176.540 176.540 176.956 -0.416 17775 6609 1 11 . 1 1 101 101 CYS CA C 376 64.510 64.510 64.277 0.233 17775 6610 1 11 . 1 1 101 101 CYS CB C 376 27.270 27.270 27.398 -0.129 17775 6611 1 11 . 1 1 101 101 CYS H H 376 8.130 8.130 7.889 0.241 17775 6612 1 11 . 1 1 102 102 ASN N N 377 117.140 117.140 118.434 -1.294 17775 6613 1 11 . 1 1 102 102 ASN HA H 377 4.290 4.290 4.364 -0.074 17775 6614 1 11 . 1 1 102 102 ASN C C 377 176.980 176.980 177.238 -0.258 17775 6615 1 11 . 1 1 102 102 ASN CA C 377 56.460 56.460 56.953 -0.493 17775 6616 1 11 . 1 1 102 102 ASN CB C 377 38.440 38.440 38.182 0.258 17775 6617 1 11 . 1 1 102 102 ASN H H 377 8.430 8.430 7.979 0.451 17775 6618 1 11 . 1 1 103 103 ALA N N 378 123.350 123.350 123.021 0.329 17775 6619 1 11 . 1 1 103 103 ALA HA H 378 4.130 4.130 4.066 0.064 17775 6620 1 11 . 1 1 103 103 ALA C C 378 180.510 180.510 179.568 0.942 17775 6621 1 11 . 1 1 103 103 ALA CA C 378 55.120 55.120 55.075 0.045 17775 6622 1 11 . 1 1 103 103 ALA CB C 378 17.960 17.960 18.374 -0.414 17775 6623 1 11 . 1 1 103 103 ALA H H 378 8.130 8.130 7.763 0.367 17775 6624 1 11 . 1 1 104 104 ILE N N 379 120.880 120.880 119.487 1.393 17775 6625 1 11 . 1 1 104 104 ILE HA H 379 3.680 3.680 3.979 -0.299 17775 6626 1 11 . 1 1 104 104 ILE C C 379 178.260 178.260 178.703 -0.443 17775 6627 1 11 . 1 1 104 104 ILE CA C 379 64.860 64.860 65.600 -0.740 17775 6628 1 11 . 1 1 104 104 ILE CB C 379 38.080 38.080 38.131 -0.051 17775 6629 1 11 . 1 1 104 104 ILE H H 379 8.010 8.010 7.676 0.334 17775 6630 1 11 . 1 1 105 105 ILE N N 380 119.970 119.970 119.820 0.150 17775 6631 1 11 . 1 1 105 105 ILE HA H 380 3.430 3.430 3.691 -0.261 17775 6632 1 11 . 1 1 105 105 ILE C C 380 177.660 177.660 178.287 -0.627 17775 6633 1 11 . 1 1 105 105 ILE CA C 380 65.490 65.490 65.867 -0.377 17775 6634 1 11 . 1 1 105 105 ILE CB C 380 38.060 38.060 37.516 0.545 17775 6635 1 11 . 1 1 105 105 ILE H H 380 8.060 8.060 7.722 0.338 17775 6636 1 11 . 1 1 106 106 GLU N N 381 118.640 118.640 119.275 -0.635 17775 6637 1 11 . 1 1 106 106 GLU HA H 381 3.970 3.970 3.989 -0.019 17775 6638 1 11 . 1 1 106 106 GLU C C 381 178.440 178.440 179.404 -0.964 17775 6639 1 11 . 1 1 106 106 GLU CA C 381 59.260 59.260 60.106 -0.846 17775 6640 1 11 . 1 1 106 106 GLU CB C 381 29.570 29.570 29.204 0.366 17775 6641 1 11 . 1 1 106 106 GLU H H 381 8.140 8.140 7.945 0.195 17775 6642 1 11 . 1 1 107 107 GLN N N 382 117.770 117.770 119.016 -1.246 17775 6643 1 11 . 1 1 107 107 GLN HA H 382 4.040 4.040 4.083 -0.043 17775 6644 1 11 . 1 1 107 107 GLN C C 382 177.550 177.550 178.762 -1.212 17775 6645 1 11 . 1 1 107 107 GLN CA C 382 58.170 58.170 58.801 -0.631 17775 6646 1 11 . 1 1 107 107 GLN CB C 382 28.770 28.770 28.689 0.082 17775 6647 1 11 . 1 1 107 107 GLN H H 382 7.710 7.710 7.945 -0.235 17775 6648 1 11 . 1 1 108 108 PHE N N 383 118.750 118.750 119.478 -0.728 17775 6649 1 11 . 1 1 108 108 PHE HA H 383 4.490 4.490 4.206 0.284 17775 6650 1 11 . 1 1 108 108 PHE C C 383 176.570 176.570 177.909 -1.339 17775 6651 1 11 . 1 1 108 108 PHE CA C 383 59.360 59.360 62.538 -3.178 17775 6652 1 11 . 1 1 108 108 PHE CB C 383 38.760 38.760 38.879 -0.119 17775 6653 1 11 . 1 1 108 108 PHE H H 383 7.880 7.880 7.955 -0.075 17775 6654 1 11 . 1 1 109 109 ILE N N 384 118.200 118.200 119.897 -1.697 17775 6655 1 11 . 1 1 109 109 ILE HA H 384 3.720 3.720 3.762 -0.042 17775 6656 1 11 . 1 1 109 109 ILE C C 384 177.450 177.450 177.327 0.123 17775 6657 1 11 . 1 1 109 109 ILE CA C 384 64.280 64.280 65.159 -0.879 17775 6658 1 11 . 1 1 109 109 ILE CB C 384 37.870 37.870 37.890 -0.020 17775 6659 1 11 . 1 1 109 109 ILE H H 384 7.950 7.950 7.684 0.266 17775 6660 1 11 . 1 1 110 110 ASP N N 385 119.750 119.750 118.458 1.292 17775 6661 1 11 . 1 1 110 110 ASP HA H 385 4.440 4.440 4.370 0.070 17775 6662 1 11 . 1 1 110 110 ASP C C 385 177.620 177.620 177.911 -0.291 17775 6663 1 11 . 1 1 110 110 ASP CA C 385 56.500 56.500 56.965 -0.465 17775 6664 1 11 . 1 1 110 110 ASP CB C 385 40.860 40.860 41.049 -0.189 17775 6665 1 11 . 1 1 110 110 ASP H H 385 7.840 7.840 7.896 -0.056 17775 6666 1 11 . 1 1 111 111 TYR N N 386 118.370 118.370 119.360 -0.990 17775 6667 1 11 . 1 1 111 111 TYR HA H 386 4.430 4.430 4.271 0.159 17775 6668 1 11 . 1 1 111 111 TYR C C 386 176.320 176.320 176.341 -0.021 17775 6669 1 11 . 1 1 111 111 TYR CA C 386 58.940 58.940 60.838 -1.898 17775 6670 1 11 . 1 1 111 111 TYR CB C 386 38.440 38.440 39.390 -0.950 17775 6671 1 11 . 1 1 111 111 TYR H H 386 7.760 7.760 7.762 -0.002 17775 6672 1 11 . 1 1 112 112 LEU N N 387 119.730 119.730 119.048 0.682 17775 6673 1 11 . 1 1 112 112 LEU HA H 387 4.230 4.230 4.515 -0.285 17775 6674 1 11 . 1 1 112 112 LEU C C 387 175.900 175.900 175.745 0.155 17775 6675 1 11 . 1 1 112 112 LEU CA C 387 55.090 55.090 54.418 0.672 17775 6676 1 11 . 1 1 112 112 LEU CB C 387 42.670 42.670 42.914 -0.244 17775 6677 1 11 . 1 1 112 112 LEU H H 387 7.660 7.660 7.725 -0.065 17775 6678 1 12 . 1 1 5 5 ILE HA H 280 4.190 4.190 3.763 0.427 17775 6679 1 12 . 1 1 5 5 ILE CA C 280 61.650 61.650 64.425 -2.775 17775 6680 1 12 . 1 1 5 5 ILE CB C 280 38.520 38.520 37.717 0.803 17775 6681 1 12 . 1 1 6 6 THR HA H 281 4.340 4.340 3.950 0.390 17775 6682 1 12 . 1 1 6 6 THR CA C 281 62.680 62.680 66.075 -3.394 17775 6683 1 12 . 1 1 6 6 THR CB C 281 69.630 69.630 68.486 1.144 17775 6684 1 12 . 1 1 8 8 PRO HA H 283 4.230 4.230 4.391 -0.161 17775 6685 1 12 . 1 1 8 8 PRO CA C 283 65.940 65.940 65.767 0.173 17775 6686 1 12 . 1 1 8 8 PRO CB C 283 30.730 30.730 30.834 -0.104 17775 6687 1 12 . 1 1 9 9 ILE N N 284 115.670 115.670 118.135 -2.465 17775 6688 1 12 . 1 1 9 9 ILE HA H 284 3.420 3.420 3.847 -0.427 17775 6689 1 12 . 1 1 9 9 ILE C C 284 177.820 177.820 178.213 -0.393 17775 6690 1 12 . 1 1 9 9 ILE CA C 284 65.540 65.540 64.059 1.481 17775 6691 1 12 . 1 1 9 9 ILE CB C 284 36.810 36.810 36.738 0.072 17775 6692 1 12 . 1 1 9 9 ILE H H 284 7.300 7.300 7.324 -0.024 17775 6693 1 12 . 1 1 10 10 ILE N N 285 121.880 121.880 121.204 0.676 17775 6694 1 12 . 1 1 10 10 ILE HA H 285 3.800 3.800 3.886 -0.086 17775 6695 1 12 . 1 1 10 10 ILE C C 285 177.690 177.690 179.161 -1.471 17775 6696 1 12 . 1 1 10 10 ILE CA C 285 62.880 62.880 63.084 -0.204 17775 6697 1 12 . 1 1 10 10 ILE CB C 285 36.560 36.560 36.477 0.083 17775 6698 1 12 . 1 1 10 10 ILE H H 285 7.880 7.880 7.683 0.197 17775 6699 1 12 . 1 1 11 11 GLU N N 286 120.580 120.580 120.126 0.454 17775 6700 1 12 . 1 1 11 11 GLU HA H 286 4.080 4.080 4.097 -0.017 17775 6701 1 12 . 1 1 11 11 GLU C C 286 180.980 180.980 179.650 1.330 17775 6702 1 12 . 1 1 11 11 GLU CA C 286 59.630 59.630 59.811 -0.181 17775 6703 1 12 . 1 1 11 11 GLU CB C 286 29.550 29.550 29.481 0.069 17775 6704 1 12 . 1 1 11 11 GLU H H 286 8.450 8.450 8.158 0.292 17775 6705 1 12 . 1 1 12 12 LEU N N 287 121.340 121.340 119.615 1.725 17775 6706 1 12 . 1 1 12 12 LEU HA H 287 4.010 4.010 4.060 -0.050 17775 6707 1 12 . 1 1 12 12 LEU C C 287 178.030 178.030 179.059 -1.029 17775 6708 1 12 . 1 1 12 12 LEU CA C 287 58.310 58.310 58.160 0.150 17775 6709 1 12 . 1 1 12 12 LEU CB C 287 42.050 42.050 41.860 0.190 17775 6710 1 12 . 1 1 12 12 LEU H H 287 8.490 8.490 8.104 0.386 17775 6711 1 12 . 1 1 13 13 SER N N 288 117.590 117.590 115.064 2.526 17775 6712 1 12 . 1 1 13 13 SER HA H 288 4.190 4.190 4.087 0.103 17775 6713 1 12 . 1 1 13 13 SER C C 288 175.660 175.660 176.647 -0.987 17775 6714 1 12 . 1 1 13 13 SER CA C 288 61.670 61.670 61.903 -0.233 17775 6715 1 12 . 1 1 13 13 SER CB C 288 62.490 62.490 62.618 -0.128 17775 6716 1 12 . 1 1 13 13 SER H H 288 8.330 8.330 8.200 0.130 17775 6717 1 12 . 1 1 14 14 ASN N N 289 119.150 119.150 121.592 -2.442 17775 6718 1 12 . 1 1 14 14 ASN HA H 289 4.450 4.450 4.691 -0.241 17775 6719 1 12 . 1 1 14 14 ASN C C 289 178.480 178.480 177.947 0.533 17775 6720 1 12 . 1 1 14 14 ASN CA C 289 55.870 55.870 55.921 -0.051 17775 6721 1 12 . 1 1 14 14 ASN CB C 289 38.090 38.090 38.326 -0.236 17775 6722 1 12 . 1 1 14 14 ASN H H 289 8.650 8.650 8.248 0.402 17775 6723 1 12 . 1 1 15 15 THR N N 290 117.650 117.650 117.557 0.093 17775 6724 1 12 . 1 1 15 15 THR HA H 290 3.830 3.830 3.981 -0.151 17775 6725 1 12 . 1 1 15 15 THR C C 290 175.030 175.030 176.002 -0.972 17775 6726 1 12 . 1 1 15 15 THR CA C 290 67.790 67.790 66.838 0.952 17775 6727 1 12 . 1 1 15 15 THR CB C 290 68.660 68.660 68.752 -0.092 17775 6728 1 12 . 1 1 15 15 THR H H 290 8.040 8.040 7.995 0.045 17775 6729 1 12 . 1 1 16 16 ALA N N 291 124.470 124.470 123.985 0.485 17775 6730 1 12 . 1 1 16 16 ALA HA H 291 3.850 3.850 3.904 -0.054 17775 6731 1 12 . 1 1 16 16 ALA C C 291 178.470 178.470 179.032 -0.562 17775 6732 1 12 . 1 1 16 16 ALA CA C 291 55.430 55.430 55.241 0.189 17775 6733 1 12 . 1 1 16 16 ALA CB C 291 17.820 17.820 18.195 -0.375 17775 6734 1 12 . 1 1 16 16 ALA H H 291 8.530 8.530 7.864 0.666 17775 6735 1 12 . 1 1 17 17 ASP N N 292 117.560 117.560 118.997 -1.437 17775 6736 1 12 . 1 1 17 17 ASP HA H 292 4.360 4.360 4.341 0.019 17775 6737 1 12 . 1 1 17 17 ASP C C 292 178.420 178.420 178.888 -0.468 17775 6738 1 12 . 1 1 17 17 ASP CA C 292 57.430 57.430 57.438 -0.008 17775 6739 1 12 . 1 1 17 17 ASP CB C 292 40.130 40.130 40.311 -0.181 17775 6740 1 12 . 1 1 17 17 ASP H H 292 8.290 8.290 8.012 0.278 17775 6741 1 12 . 1 1 18 18 LYS N N 293 119.100 119.100 119.885 -0.785 17775 6742 1 12 . 1 1 18 18 LYS HA H 293 4.010 4.010 4.180 -0.170 17775 6743 1 12 . 1 1 18 18 LYS C C 293 180.170 180.170 179.117 1.053 17775 6744 1 12 . 1 1 18 18 LYS CA C 293 59.020 59.020 59.433 -0.413 17775 6745 1 12 . 1 1 18 18 LYS CB C 293 32.270 32.270 32.464 -0.194 17775 6746 1 12 . 1 1 18 18 LYS H H 293 7.690 7.690 7.493 0.197 17775 6747 1 12 . 1 1 19 19 ILE N N 294 122.510 122.510 119.962 2.548 17775 6748 1 12 . 1 1 19 19 ILE HA H 294 3.690 3.690 4.073 -0.383 17775 6749 1 12 . 1 1 19 19 ILE C C 294 178.920 178.920 178.744 0.176 17775 6750 1 12 . 1 1 19 19 ILE CA C 294 64.400 64.400 64.836 -0.436 17775 6751 1 12 . 1 1 19 19 ILE CB C 294 38.320 38.320 37.920 0.400 17775 6752 1 12 . 1 1 19 19 ILE H H 294 8.220 8.220 7.689 0.531 17775 6753 1 12 . 1 1 20 20 ALA N N 295 123.270 123.270 121.962 1.308 17775 6754 1 12 . 1 1 20 20 ALA HA H 295 3.850 3.850 4.074 -0.224 17775 6755 1 12 . 1 1 20 20 ALA C C 295 179.390 179.390 178.995 0.395 17775 6756 1 12 . 1 1 20 20 ALA CA C 295 55.370 55.370 54.822 0.548 17775 6757 1 12 . 1 1 20 20 ALA CB C 295 17.880 17.880 18.368 -0.488 17775 6758 1 12 . 1 1 20 20 ALA H H 295 8.580 8.580 7.824 0.756 17775 6759 1 12 . 1 1 21 21 GLU N N 296 115.530 115.530 116.410 -0.880 17775 6760 1 12 . 1 1 21 21 GLU HA H 296 4.160 4.160 4.181 -0.021 17775 6761 1 12 . 1 1 21 21 GLU C C 296 176.560 176.560 177.649 -1.089 17775 6762 1 12 . 1 1 21 21 GLU CA C 296 56.400 56.400 56.375 0.025 17775 6763 1 12 . 1 1 21 21 GLU CB C 296 29.830 29.830 29.660 0.171 17775 6764 1 12 . 1 1 21 21 GLU H H 296 7.680 7.680 7.788 -0.108 17775 6765 1 12 . 1 1 22 22 GLY N N 297 105.910 105.910 107.877 -1.967 17775 6766 1 12 . 1 1 22 22 GLY C C 297 174.160 174.160 174.347 -0.187 17775 6767 1 12 . 1 1 22 22 GLY CA C 297 45.040 45.040 44.627 0.413 17775 6768 1 12 . 1 1 22 22 GLY H H 297 7.820 7.820 7.941 -0.121 17775 6769 1 12 . 1 1 23 23 ASN N N 298 120.260 120.260 121.350 -1.090 17775 6770 1 12 . 1 1 23 23 ASN HA H 298 4.960 4.960 5.019 -0.059 17775 6771 1 12 . 1 1 23 23 ASN C C 298 174.560 174.560 175.929 -1.369 17775 6772 1 12 . 1 1 23 23 ASN CA C 298 51.800 51.800 51.813 -0.013 17775 6773 1 12 . 1 1 23 23 ASN CB C 298 36.750 36.750 37.793 -1.043 17775 6774 1 12 . 1 1 23 23 ASN H H 298 8.070 8.070 8.086 -0.016 17775 6775 1 12 . 1 1 24 24 LEU N N 299 119.750 119.750 122.291 -2.541 17775 6776 1 12 . 1 1 24 24 LEU HA H 299 3.950 3.950 4.034 -0.084 17775 6777 1 12 . 1 1 24 24 LEU C C 299 176.390 176.390 178.136 -1.746 17775 6778 1 12 . 1 1 24 24 LEU CA C 299 56.250 56.250 57.493 -1.243 17775 6779 1 12 . 1 1 24 24 LEU CB C 299 41.260 41.260 41.589 -0.329 17775 6780 1 12 . 1 1 24 24 LEU H H 299 7.850 7.850 7.612 0.238 17775 6781 1 12 . 1 1 25 25 GLU N N 300 114.210 114.210 117.791 -3.581 17775 6782 1 12 . 1 1 25 25 GLU HA H 300 4.230 4.230 4.211 0.019 17775 6783 1 12 . 1 1 25 25 GLU C C 300 176.050 176.050 176.199 -0.149 17775 6784 1 12 . 1 1 25 25 GLU CA C 300 55.640 55.640 56.558 -0.918 17775 6785 1 12 . 1 1 25 25 GLU CB C 300 29.410 29.410 29.428 -0.018 17775 6786 1 12 . 1 1 25 25 GLU H H 300 7.840 7.840 8.440 -0.600 17775 6787 1 12 . 1 1 26 26 ALA N N 301 124.010 124.010 124.831 -0.821 17775 6788 1 12 . 1 1 26 26 ALA HA H 301 3.880 3.880 4.123 -0.243 17775 6789 1 12 . 1 1 26 26 ALA C C 301 175.390 175.390 176.957 -1.567 17775 6790 1 12 . 1 1 26 26 ALA CA C 301 52.890 52.890 52.414 0.476 17775 6791 1 12 . 1 1 26 26 ALA CB C 301 18.570 18.570 19.029 -0.459 17775 6792 1 12 . 1 1 26 26 ALA H H 301 6.770 6.770 7.311 -0.541 17775 6793 1 12 . 1 1 27 27 GLU N N 302 120.120 120.120 122.910 -2.790 17775 6794 1 12 . 1 1 27 27 GLU HA H 302 4.080 4.080 4.240 -0.160 17775 6795 1 12 . 1 1 27 27 GLU C C 302 176.510 176.510 176.466 0.044 17775 6796 1 12 . 1 1 27 27 GLU CA C 302 55.150 55.150 56.118 -0.968 17775 6797 1 12 . 1 1 27 27 GLU CB C 302 30.160 30.160 30.279 -0.118 17775 6798 1 12 . 1 1 27 27 GLU H H 302 7.880 7.880 8.308 -0.428 17775 6799 1 12 . 1 1 28 28 VAL N N 303 129.020 129.020 124.736 4.284 17775 6800 1 12 . 1 1 28 28 VAL HA H 303 4.230 4.230 4.158 0.072 17775 6801 1 12 . 1 1 28 28 VAL CA C 303 60.440 60.440 61.013 -0.573 17775 6802 1 12 . 1 1 28 28 VAL CB C 303 31.760 31.760 31.827 -0.067 17775 6803 1 12 . 1 1 28 28 VAL H H 303 8.890 8.890 8.085 0.805 17775 6804 1 12 . 1 1 29 29 PRO HA H 304 4.400 4.400 4.591 -0.191 17775 6805 1 12 . 1 1 29 29 PRO CA C 304 62.790 62.790 62.259 0.531 17775 6806 1 12 . 1 1 29 29 PRO CB C 304 32.120 32.120 32.814 -0.694 17775 6807 1 12 . 1 1 30 30 HIS N N 305 103.640 103.640 112.768 -9.128 17775 6808 1 12 . 1 1 30 30 HIS HA H 305 4.210 4.210 4.213 -0.003 17775 6809 1 12 . 1 1 30 30 HIS C C 305 175.590 175.590 176.998 -1.408 17775 6810 1 12 . 1 1 30 30 HIS CA C 305 57.950 57.950 57.433 0.517 17775 6811 1 12 . 1 1 30 30 HIS CB C 305 27.910 27.910 27.564 0.346 17775 6812 1 12 . 1 1 30 30 HIS H H 305 7.780 7.780 8.335 -0.555 17775 6813 1 12 . 1 1 31 31 GLN N N 306 114.840 114.840 118.256 -3.416 17775 6814 1 12 . 1 1 31 31 GLN HA H 306 3.990 3.990 4.128 -0.138 17775 6815 1 12 . 1 1 31 31 GLN C C 306 176.290 176.290 176.639 -0.349 17775 6816 1 12 . 1 1 31 31 GLN CA C 306 58.680 58.680 58.173 0.507 17775 6817 1 12 . 1 1 31 31 GLN CB C 306 30.630 30.630 28.783 1.847 17775 6818 1 12 . 1 1 31 31 GLN H H 306 8.010 8.010 8.652 -0.642 17775 6819 1 12 . 1 1 32 32 ASN N N 307 113.230 113.230 114.857 -1.627 17775 6820 1 12 . 1 1 32 32 ASN HA H 307 4.640 4.640 4.626 0.014 17775 6821 1 12 . 1 1 32 32 ASN C C 307 175.610 175.610 175.642 -0.032 17775 6822 1 12 . 1 1 32 32 ASN CA C 307 52.800 52.800 53.283 -0.483 17775 6823 1 12 . 1 1 32 32 ASN CB C 307 37.630 37.630 38.658 -1.028 17775 6824 1 12 . 1 1 32 32 ASN H H 307 8.360 8.360 8.146 0.214 17775 6825 1 12 . 1 1 33 33 ARG N N 308 119.580 119.580 121.184 -1.604 17775 6826 1 12 . 1 1 33 33 ARG HA H 308 4.140 4.140 4.324 -0.184 17775 6827 1 12 . 1 1 33 33 ARG CA C 308 56.950 56.950 56.615 0.335 17775 6828 1 12 . 1 1 33 33 ARG CB C 308 33.030 33.030 30.889 2.141 17775 6829 1 12 . 1 1 33 33 ARG H H 308 7.160 7.160 7.381 -0.221 17775 6830 1 12 . 1 1 34 34 ALA HA H 309 4.530 4.530 4.297 0.233 17775 6831 1 12 . 1 1 34 34 ALA C C 309 176.610 176.610 176.708 -0.098 17775 6832 1 12 . 1 1 34 34 ALA CA C 309 51.650 51.650 52.361 -0.711 17775 6833 1 12 . 1 1 34 34 ALA CB C 309 18.830 18.830 19.203 -0.372 17775 6834 1 12 . 1 1 35 35 ASP N N 310 117.680 117.680 118.858 -1.178 17775 6835 1 12 . 1 1 35 35 ASP HA H 310 4.660 4.660 4.637 0.023 17775 6836 1 12 . 1 1 35 35 ASP C C 310 176.740 176.740 177.085 -0.345 17775 6837 1 12 . 1 1 35 35 ASP CA C 310 52.240 52.240 52.901 -0.661 17775 6838 1 12 . 1 1 35 35 ASP CB C 310 41.580 41.580 40.643 0.937 17775 6839 1 12 . 1 1 35 35 ASP H H 310 7.460 7.460 7.696 -0.236 17775 6840 1 12 . 1 1 36 36 GLU N N 311 118.110 118.110 117.338 0.772 17775 6841 1 12 . 1 1 36 36 GLU HA H 311 3.870 3.870 4.065 -0.195 17775 6842 1 12 . 1 1 36 36 GLU C C 311 177.440 177.440 178.378 -0.938 17775 6843 1 12 . 1 1 36 36 GLU CA C 311 60.460 60.460 59.758 0.702 17775 6844 1 12 . 1 1 36 36 GLU CB C 311 27.660 27.660 29.361 -1.701 17775 6845 1 12 . 1 1 36 36 GLU H H 311 9.910 9.910 8.672 1.238 17775 6846 1 12 . 1 1 37 37 ILE N N 312 118.790 118.790 119.370 -0.580 17775 6847 1 12 . 1 1 37 37 ILE HA H 312 3.570 3.570 3.879 -0.309 17775 6848 1 12 . 1 1 37 37 ILE C C 312 177.460 177.460 178.150 -0.690 17775 6849 1 12 . 1 1 37 37 ILE CA C 312 63.170 63.170 62.699 0.471 17775 6850 1 12 . 1 1 37 37 ILE CB C 312 35.770 35.770 36.585 -0.815 17775 6851 1 12 . 1 1 37 37 ILE H H 312 7.420 7.420 7.570 -0.150 17775 6852 1 12 . 1 1 38 38 GLY N N 313 108.320 108.320 109.287 -0.967 17775 6853 1 12 . 1 1 38 38 GLY C C 313 176.200 176.200 176.183 0.017 17775 6854 1 12 . 1 1 38 38 GLY CA C 313 47.090 47.090 47.353 -0.264 17775 6855 1 12 . 1 1 38 38 GLY H H 313 7.510 7.510 7.907 -0.397 17775 6856 1 12 . 1 1 39 39 ILE N N 314 121.890 121.890 122.565 -0.675 17775 6857 1 12 . 1 1 39 39 ILE HA H 314 3.630 3.630 3.689 -0.059 17775 6858 1 12 . 1 1 39 39 ILE C C 314 179.070 179.070 177.552 1.518 17775 6859 1 12 . 1 1 39 39 ILE CA C 314 64.750 64.750 65.008 -0.258 17775 6860 1 12 . 1 1 39 39 ILE CB C 314 37.610 37.610 37.976 -0.366 17775 6861 1 12 . 1 1 39 39 ILE H H 314 7.390 7.390 7.724 -0.334 17775 6862 1 12 . 1 1 40 40 LEU N N 315 121.370 121.370 121.459 -0.089 17775 6863 1 12 . 1 1 40 40 LEU HA H 315 4.120 4.120 4.078 0.042 17775 6864 1 12 . 1 1 40 40 LEU C C 315 178.560 178.560 178.241 0.319 17775 6865 1 12 . 1 1 40 40 LEU CA C 315 57.620 57.620 57.780 -0.160 17775 6866 1 12 . 1 1 40 40 LEU CB C 315 41.490 41.490 41.581 -0.091 17775 6867 1 12 . 1 1 40 40 LEU H H 315 7.770 7.770 7.868 -0.098 17775 6868 1 12 . 1 1 41 41 ALA N N 316 123.480 123.480 121.721 1.759 17775 6869 1 12 . 1 1 41 41 ALA HA H 316 3.840 3.840 3.934 -0.094 17775 6870 1 12 . 1 1 41 41 ALA C C 316 179.700 179.700 179.485 0.215 17775 6871 1 12 . 1 1 41 41 ALA CA C 316 56.180 56.180 55.517 0.663 17775 6872 1 12 . 1 1 41 41 ALA CB C 316 19.870 19.870 18.336 1.534 17775 6873 1 12 . 1 1 41 41 ALA H H 316 9.020 9.020 8.066 0.954 17775 6874 1 12 . 1 1 42 42 LYS N N 317 116.890 116.890 118.476 -1.586 17775 6875 1 12 . 1 1 42 42 LYS HA H 317 3.900 3.900 3.993 -0.093 17775 6876 1 12 . 1 1 42 42 LYS C C 317 179.730 179.730 179.159 0.571 17775 6877 1 12 . 1 1 42 42 LYS CA C 317 60.430 60.430 59.484 0.946 17775 6878 1 12 . 1 1 42 42 LYS H H 317 8.320 8.320 8.030 0.290 17775 6879 1 12 . 1 1 43 43 SER N N 318 119.130 119.130 115.736 3.394 17775 6880 1 12 . 1 1 43 43 SER HA H 318 4.340 4.340 4.208 0.132 17775 6881 1 12 . 1 1 43 43 SER C C 318 177.430 177.430 176.593 0.837 17775 6882 1 12 . 1 1 43 43 SER CA C 318 62.630 62.630 61.801 0.829 17775 6883 1 12 . 1 1 43 43 SER CB C 318 63.050 63.050 62.780 0.270 17775 6884 1 12 . 1 1 43 43 SER H H 318 8.060 8.060 8.053 0.007 17775 6885 1 12 . 1 1 44 44 ILE N N 319 124.020 124.020 122.807 1.213 17775 6886 1 12 . 1 1 44 44 ILE HA H 319 3.640 3.640 3.663 -0.023 17775 6887 1 12 . 1 1 44 44 ILE C C 319 177.190 177.190 177.898 -0.708 17775 6888 1 12 . 1 1 44 44 ILE CA C 319 65.020 65.020 65.172 -0.152 17775 6889 1 12 . 1 1 44 44 ILE CB C 319 36.790 36.790 37.634 -0.844 17775 6890 1 12 . 1 1 44 44 ILE H H 319 8.250 8.250 7.639 0.611 17775 6891 1 12 . 1 1 45 45 GLU N N 320 123.090 123.090 120.607 2.483 17775 6892 1 12 . 1 1 45 45 GLU HA H 320 4.600 4.600 3.956 0.644 17775 6893 1 12 . 1 1 45 45 GLU C C 320 178.190 178.190 178.664 -0.474 17775 6894 1 12 . 1 1 45 45 GLU CA C 320 58.430 58.430 59.448 -1.018 17775 6895 1 12 . 1 1 45 45 GLU CB C 320 27.700 27.700 29.214 -1.514 17775 6896 1 12 . 1 1 45 45 GLU H H 320 8.390 8.390 8.072 0.318 17775 6897 1 12 . 1 1 46 46 ARG N N 321 119.760 119.760 119.201 0.559 17775 6898 1 12 . 1 1 46 46 ARG HA H 321 3.930 3.930 4.050 -0.120 17775 6899 1 12 . 1 1 46 46 ARG C C 321 179.950 179.950 179.074 0.876 17775 6900 1 12 . 1 1 46 46 ARG CA C 321 60.440 60.440 59.407 1.033 17775 6901 1 12 . 1 1 46 46 ARG CB C 321 29.770 29.770 30.163 -0.393 17775 6902 1 12 . 1 1 46 46 ARG H H 321 8.000 8.000 7.833 0.167 17775 6903 1 12 . 1 1 47 47 LEU N N 322 121.360 121.360 119.340 2.020 17775 6904 1 12 . 1 1 47 47 LEU HA H 322 4.020 4.020 4.060 -0.040 17775 6905 1 12 . 1 1 47 47 LEU C C 322 178.040 178.040 179.052 -1.012 17775 6906 1 12 . 1 1 47 47 LEU CA C 322 58.550 58.550 57.907 0.643 17775 6907 1 12 . 1 1 47 47 LEU CB C 322 41.650 41.650 41.600 0.050 17775 6908 1 12 . 1 1 47 47 LEU H H 322 7.870 7.870 7.864 0.006 17775 6909 1 12 . 1 1 48 48 ARG N N 323 121.390 121.390 119.414 1.976 17775 6910 1 12 . 1 1 48 48 ARG HA H 323 3.690 3.690 3.923 -0.233 17775 6911 1 12 . 1 1 48 48 ARG C C 323 178.120 178.120 178.314 -0.194 17775 6912 1 12 . 1 1 48 48 ARG CA C 323 60.630 60.630 59.755 0.875 17775 6913 1 12 . 1 1 48 48 ARG CB C 323 30.230 30.230 29.966 0.264 17775 6914 1 12 . 1 1 48 48 ARG H H 323 8.730 8.730 7.862 0.868 17775 6915 1 12 . 1 1 49 49 ARG N N 324 116.720 116.720 119.046 -2.326 17775 6916 1 12 . 1 1 49 49 ARG HA H 324 3.840 3.840 4.002 -0.162 17775 6917 1 12 . 1 1 49 49 ARG C C 324 179.060 179.060 178.474 0.586 17775 6918 1 12 . 1 1 49 49 ARG CA C 324 59.930 59.930 59.726 0.204 17775 6919 1 12 . 1 1 49 49 ARG CB C 324 29.830 29.830 30.170 -0.340 17775 6920 1 12 . 1 1 49 49 ARG H H 324 8.550 8.550 8.132 0.418 17775 6921 1 12 . 1 1 50 50 SER N N 325 117.600 117.600 116.516 1.084 17775 6922 1 12 . 1 1 50 50 SER HA H 325 4.120 4.120 4.153 -0.033 17775 6923 1 12 . 1 1 50 50 SER C C 325 176.050 176.050 176.782 -0.732 17775 6924 1 12 . 1 1 50 50 SER CA C 325 62.630 62.630 61.964 0.666 17775 6925 1 12 . 1 1 50 50 SER CB C 325 62.950 62.950 62.985 -0.035 17775 6926 1 12 . 1 1 50 50 SER H H 325 8.170 8.170 7.757 0.413 17775 6927 1 12 . 1 1 51 51 LEU N N 326 123.730 123.730 122.216 1.514 17775 6928 1 12 . 1 1 51 51 LEU HA H 326 3.990 3.990 3.971 0.019 17775 6929 1 12 . 1 1 51 51 LEU C C 326 177.380 177.380 178.528 -1.148 17775 6930 1 12 . 1 1 51 51 LEU CA C 326 58.580 58.580 57.969 0.611 17775 6931 1 12 . 1 1 51 51 LEU CB C 326 42.190 42.190 41.647 0.543 17775 6932 1 12 . 1 1 51 51 LEU H H 326 8.190 8.190 7.798 0.392 17775 6933 1 12 . 1 1 52 52 LYS N N 327 119.170 119.170 119.209 -0.039 17775 6934 1 12 . 1 1 52 52 LYS HA H 327 3.860 3.860 3.858 0.002 17775 6935 1 12 . 1 1 52 52 LYS C C 327 179.050 179.050 178.910 0.140 17775 6936 1 12 . 1 1 52 52 LYS CA C 327 59.700 59.700 59.760 -0.060 17775 6937 1 12 . 1 1 52 52 LYS CB C 327 32.020 32.020 32.244 -0.224 17775 6938 1 12 . 1 1 52 52 LYS H H 327 8.580 8.580 7.929 0.651 17775 6939 1 12 . 1 1 53 53 GLN N N 328 118.180 118.180 119.329 -1.149 17775 6940 1 12 . 1 1 53 53 GLN HA H 328 4.080 4.080 4.090 -0.010 17775 6941 1 12 . 1 1 53 53 GLN C C 328 177.960 177.960 178.444 -0.484 17775 6942 1 12 . 1 1 53 53 GLN CA C 328 58.690 58.690 58.799 -0.109 17775 6943 1 12 . 1 1 53 53 GLN CB C 328 28.450 28.450 28.397 0.053 17775 6944 1 12 . 1 1 53 53 GLN H H 328 8.080 8.080 7.887 0.193 17775 6945 1 12 . 1 1 54 54 LEU N N 329 118.740 118.740 119.919 -1.179 17775 6946 1 12 . 1 1 54 54 LEU HA H 329 4.150 4.150 4.186 -0.036 17775 6947 1 12 . 1 1 54 54 LEU C C 329 179.580 179.580 179.033 0.547 17775 6948 1 12 . 1 1 54 54 LEU CA C 329 58.080 58.080 57.717 0.363 17775 6949 1 12 . 1 1 54 54 LEU CB C 329 42.620 42.620 41.798 0.822 17775 6950 1 12 . 1 1 54 54 LEU H H 329 7.680 7.680 7.952 -0.272 17775 6951 1 12 . 1 1 55 55 ALA N N 330 123.330 123.330 122.034 1.296 17775 6952 1 12 . 1 1 55 55 ALA HA H 330 4.050 4.050 3.924 0.126 17775 6953 1 12 . 1 1 55 55 ALA C C 330 180.530 180.530 179.432 1.098 17775 6954 1 12 . 1 1 55 55 ALA CA C 330 55.630 55.630 55.471 0.159 17775 6955 1 12 . 1 1 55 55 ALA CB C 330 18.320 18.320 18.025 0.295 17775 6956 1 12 . 1 1 55 55 ALA H H 330 8.390 8.390 7.970 0.420 17775 6957 1 12 . 1 1 56 56 ASP N N 331 121.350 121.350 119.158 2.192 17775 6958 1 12 . 1 1 56 56 ASP HA H 331 4.420 4.420 4.376 0.044 17775 6959 1 12 . 1 1 56 56 ASP C C 331 179.100 179.100 178.544 0.556 17775 6960 1 12 . 1 1 56 56 ASP CA C 331 57.430 57.430 57.260 0.170 17775 6961 1 12 . 1 1 56 56 ASP CB C 331 39.630 39.630 40.194 -0.564 17775 6962 1 12 . 1 1 56 56 ASP H H 331 8.820 8.820 8.051 0.769 17775 6963 1 12 . 1 1 57 57 ASP N N 332 121.570 121.570 120.172 1.398 17775 6964 1 12 . 1 1 57 57 ASP HA H 332 4.490 4.490 4.359 0.131 17775 6965 1 12 . 1 1 57 57 ASP C C 332 179.080 179.080 178.574 0.506 17775 6966 1 12 . 1 1 57 57 ASP CA C 332 57.380 57.380 57.261 0.119 17775 6967 1 12 . 1 1 57 57 ASP CB C 332 40.440 40.440 40.453 -0.013 17775 6968 1 12 . 1 1 57 57 ASP H H 332 8.420 8.420 8.186 0.234 17775 6969 1 12 . 1 1 58 58 ARG N N 333 120.250 120.250 120.167 0.083 17775 6970 1 12 . 1 1 58 58 ARG HA H 333 3.940 3.940 3.978 -0.038 17775 6971 1 12 . 1 1 58 58 ARG C C 333 177.770 177.770 178.554 -0.784 17775 6972 1 12 . 1 1 58 58 ARG CA C 333 58.790 58.790 59.746 -0.956 17775 6973 1 12 . 1 1 58 58 ARG CB C 333 30.300 30.300 30.396 -0.096 17775 6974 1 12 . 1 1 58 58 ARG H H 333 7.900 7.900 7.799 0.101 17775 6975 1 12 . 1 1 59 59 THR N N 334 115.160 115.160 114.766 0.394 17775 6976 1 12 . 1 1 59 59 THR HA H 334 3.960 3.960 4.103 -0.143 17775 6977 1 12 . 1 1 59 59 THR C C 334 176.690 176.690 176.705 -0.015 17775 6978 1 12 . 1 1 59 59 THR CA C 334 66.430 66.430 65.958 0.472 17775 6979 1 12 . 1 1 59 59 THR CB C 334 68.720 68.720 68.106 0.615 17775 6980 1 12 . 1 1 59 59 THR H H 334 7.940 7.940 7.640 0.300 17775 6981 1 12 . 1 1 60 60 LEU N N 335 123.040 123.040 121.952 1.088 17775 6982 1 12 . 1 1 60 60 LEU HA H 335 4.070 4.070 3.976 0.094 17775 6983 1 12 . 1 1 60 60 LEU C C 335 180.040 180.040 178.920 1.120 17775 6984 1 12 . 1 1 60 60 LEU CA C 335 57.690 57.690 57.811 -0.121 17775 6985 1 12 . 1 1 60 60 LEU CB C 335 41.810 41.810 41.636 0.174 17775 6986 1 12 . 1 1 60 60 LEU H H 335 7.860 7.860 7.724 0.136 17775 6987 1 12 . 1 1 61 61 LEU N N 336 121.600 121.600 120.347 1.253 17775 6988 1 12 . 1 1 61 61 LEU HA H 336 4.020 4.020 3.889 0.132 17775 6989 1 12 . 1 1 61 61 LEU C C 336 179.360 179.360 178.387 0.973 17775 6990 1 12 . 1 1 61 61 LEU CA C 336 57.900 57.900 58.245 -0.345 17775 6991 1 12 . 1 1 61 61 LEU CB C 336 41.970 41.970 41.863 0.107 17775 6992 1 12 . 1 1 61 61 LEU H H 336 8.180 8.180 8.105 0.075 17775 6993 1 12 . 1 1 62 62 MET N N 337 116.900 116.900 118.518 -1.618 17775 6994 1 12 . 1 1 62 62 MET HA H 337 4.110 4.110 3.863 0.247 17775 6995 1 12 . 1 1 62 62 MET C C 337 179.750 179.750 177.946 1.804 17775 6996 1 12 . 1 1 62 62 MET CA C 337 57.850 57.850 59.140 -1.290 17775 6997 1 12 . 1 1 62 62 MET CB C 337 32.200 32.200 32.427 -0.227 17775 6998 1 12 . 1 1 62 62 MET H H 337 8.160 8.160 7.668 0.492 17775 6999 1 12 . 1 1 63 63 ALA N N 338 122.990 122.990 120.911 2.079 17775 7000 1 12 . 1 1 63 63 ALA HA H 338 4.110 4.110 4.088 0.022 17775 7001 1 12 . 1 1 63 63 ALA C C 338 180.420 180.420 179.622 0.798 17775 7002 1 12 . 1 1 63 63 ALA CA C 338 55.270 55.270 55.084 0.186 17775 7003 1 12 . 1 1 63 63 ALA CB C 338 17.960 17.960 18.223 -0.263 17775 7004 1 12 . 1 1 63 63 ALA H H 338 8.090 8.090 7.691 0.399 17775 7005 1 12 . 1 1 64 64 GLY N N 339 106.980 106.980 106.998 -0.018 17775 7006 1 12 . 1 1 64 64 GLY C C 339 175.240 175.240 176.197 -0.957 17775 7007 1 12 . 1 1 64 64 GLY CA C 339 47.190 47.190 47.109 0.081 17775 7008 1 12 . 1 1 64 64 GLY H H 339 8.070 8.070 7.925 0.145 17775 7009 1 12 . 1 1 65 65 VAL N N 340 120.660 120.660 122.361 -1.701 17775 7010 1 12 . 1 1 65 65 VAL HA H 340 3.780 3.780 3.566 0.214 17775 7011 1 12 . 1 1 65 65 VAL C C 340 176.960 176.960 178.015 -1.055 17775 7012 1 12 . 1 1 65 65 VAL CA C 340 65.620 65.620 66.150 -0.530 17775 7013 1 12 . 1 1 65 65 VAL CB C 340 31.690 31.690 31.610 0.080 17775 7014 1 12 . 1 1 65 65 VAL H H 340 8.100 8.100 7.835 0.265 17775 7015 1 12 . 1 1 66 66 SER N N 341 112.150 112.150 115.610 -3.460 17775 7016 1 12 . 1 1 66 66 SER HA H 341 4.000 4.000 3.974 0.026 17775 7017 1 12 . 1 1 66 66 SER C C 341 175.860 175.860 176.749 -0.889 17775 7018 1 12 . 1 1 66 66 SER CA C 341 61.240 61.240 61.616 -0.376 17775 7019 1 12 . 1 1 66 66 SER CB C 341 63.260 63.260 63.144 0.116 17775 7020 1 12 . 1 1 66 66 SER H H 341 7.810 7.810 7.892 -0.082 17775 7021 1 12 . 1 1 67 67 HIS N N 342 118.910 118.910 121.949 -3.039 17775 7022 1 12 . 1 1 67 67 HIS HA H 342 4.440 4.440 4.247 0.193 17775 7023 1 12 . 1 1 67 67 HIS C C 342 177.780 177.780 178.071 -0.291 17775 7024 1 12 . 1 1 67 67 HIS CA C 342 59.160 59.160 59.913 -0.753 17775 7025 1 12 . 1 1 67 67 HIS CB C 342 30.400 30.400 29.939 0.462 17775 7026 1 12 . 1 1 67 67 HIS H H 342 7.830 7.830 7.954 -0.124 17775 7027 1 12 . 1 1 68 68 ASP N N 343 120.590 120.590 120.124 0.466 17775 7028 1 12 . 1 1 68 68 ASP HA H 343 4.440 4.440 4.327 0.113 17775 7029 1 12 . 1 1 68 68 ASP C C 343 178.470 178.470 178.838 -0.368 17775 7030 1 12 . 1 1 68 68 ASP CA C 343 57.500 57.500 57.188 0.312 17775 7031 1 12 . 1 1 68 68 ASP CB C 343 39.880 39.880 40.389 -0.509 17775 7032 1 12 . 1 1 68 68 ASP H H 343 8.580 8.580 8.019 0.561 17775 7033 1 12 . 1 1 69 69 LEU N N 344 117.900 117.900 119.926 -2.026 17775 7034 1 12 . 1 1 69 69 LEU HA H 344 4.190 4.190 3.995 0.195 17775 7035 1 12 . 1 1 69 69 LEU C C 344 177.010 177.010 178.499 -1.489 17775 7036 1 12 . 1 1 69 69 LEU CA C 344 56.810 56.810 57.258 -0.447 17775 7037 1 12 . 1 1 69 69 LEU CB C 344 43.300 43.300 41.669 1.631 17775 7038 1 12 . 1 1 69 69 LEU H H 344 8.300 8.300 7.918 0.382 17775 7039 1 12 . 1 1 70 70 ARG N N 345 114.380 114.380 118.677 -4.297 17775 7040 1 12 . 1 1 70 70 ARG HA H 345 3.930 3.930 3.932 -0.002 17775 7041 1 12 . 1 1 70 70 ARG C C 345 178.840 178.840 177.999 0.841 17775 7042 1 12 . 1 1 70 70 ARG CA C 345 59.420 59.420 59.159 0.261 17775 7043 1 12 . 1 1 70 70 ARG CB C 345 30.210 30.210 29.593 0.617 17775 7044 1 12 . 1 1 70 70 ARG H H 345 7.280 7.280 7.921 -0.641 17775 7045 1 12 . 1 1 71 71 THR N N 346 115.370 115.370 115.733 -0.363 17775 7046 1 12 . 1 1 71 71 THR HA H 346 4.060 4.060 4.111 -0.051 17775 7047 1 12 . 1 1 71 71 THR CA C 346 68.800 68.800 68.551 0.249 17775 7048 1 12 . 1 1 71 71 THR CB C 346 66.590 66.590 66.755 -0.165 17775 7049 1 12 . 1 1 71 71 THR H H 346 7.540 7.540 7.593 -0.053 17775 7050 1 12 . 1 1 72 72 PRO HA H 347 4.090 4.090 4.253 -0.163 17775 7051 1 12 . 1 1 72 72 PRO CA C 347 65.860 65.860 65.767 0.093 17775 7052 1 12 . 1 1 72 72 PRO CB C 347 31.380 31.380 31.281 0.099 17775 7053 1 12 . 1 1 73 73 LEU N N 348 114.830 114.830 118.904 -4.074 17775 7054 1 12 . 1 1 73 73 LEU HA H 348 3.950 3.950 3.902 0.048 17775 7055 1 12 . 1 1 73 73 LEU C C 348 179.120 179.120 179.173 -0.053 17775 7056 1 12 . 1 1 73 73 LEU CA C 348 58.450 58.450 58.181 0.269 17775 7057 1 12 . 1 1 73 73 LEU CB C 348 41.320 41.320 41.543 -0.223 17775 7058 1 12 . 1 1 73 73 LEU H H 348 6.970 6.970 7.733 -0.763 17775 7059 1 12 . 1 1 74 74 THR N N 349 116.230 116.230 115.204 1.026 17775 7060 1 12 . 1 1 74 74 THR HA H 349 3.880 3.880 3.883 -0.003 17775 7061 1 12 . 1 1 74 74 THR C C 349 176.100 176.100 176.826 -0.726 17775 7062 1 12 . 1 1 74 74 THR CA C 349 66.760 66.760 66.974 -0.214 17775 7063 1 12 . 1 1 74 74 THR CB C 349 68.770 68.770 68.420 0.350 17775 7064 1 12 . 1 1 74 74 THR H H 349 8.090 8.090 7.975 0.115 17775 7065 1 12 . 1 1 75 75 ARG N N 350 121.190 121.190 121.357 -0.167 17775 7066 1 12 . 1 1 75 75 ARG HA H 350 3.970 3.970 4.003 -0.033 17775 7067 1 12 . 1 1 75 75 ARG C C 350 180.130 180.130 178.760 1.370 17775 7068 1 12 . 1 1 75 75 ARG CA C 350 61.030 61.030 59.624 1.406 17775 7069 1 12 . 1 1 75 75 ARG CB C 350 31.080 31.080 30.027 1.052 17775 7070 1 12 . 1 1 75 75 ARG H H 350 7.570 7.570 7.596 -0.026 17775 7071 1 12 . 1 1 76 76 ILE N N 351 122.150 122.150 120.187 1.963 17775 7072 1 12 . 1 1 76 76 ILE HA H 351 3.700 3.700 3.643 0.057 17775 7073 1 12 . 1 1 76 76 ILE C C 351 177.070 177.070 177.766 -0.696 17775 7074 1 12 . 1 1 76 76 ILE CA C 351 65.560 65.560 65.261 0.299 17775 7075 1 12 . 1 1 76 76 ILE CB C 351 37.650 37.650 37.509 0.141 17775 7076 1 12 . 1 1 76 76 ILE H H 351 8.060 8.060 7.921 0.139 17775 7077 1 12 . 1 1 77 77 ARG N N 352 120.120 120.120 120.477 -0.357 17775 7078 1 12 . 1 1 77 77 ARG HA H 352 3.930 3.930 4.024 -0.094 17775 7079 1 12 . 1 1 77 77 ARG C C 352 179.580 179.580 178.992 0.588 17775 7080 1 12 . 1 1 77 77 ARG CA C 352 59.340 59.340 59.497 -0.157 17775 7081 1 12 . 1 1 77 77 ARG CB C 352 29.690 29.690 30.222 -0.532 17775 7082 1 12 . 1 1 77 77 ARG H H 352 7.700 7.700 7.757 -0.057 17775 7083 1 12 . 1 1 78 78 LEU N N 353 119.970 119.970 119.092 0.878 17775 7084 1 12 . 1 1 78 78 LEU HA H 353 4.000 4.000 4.120 -0.120 17775 7085 1 12 . 1 1 78 78 LEU C C 353 179.600 179.600 178.946 0.654 17775 7086 1 12 . 1 1 78 78 LEU CA C 353 57.910 57.910 57.426 0.484 17775 7087 1 12 . 1 1 78 78 LEU CB C 353 41.430 41.430 41.179 0.251 17775 7088 1 12 . 1 1 78 78 LEU H H 353 8.260 8.260 7.799 0.461 17775 7089 1 12 . 1 1 79 79 ALA N N 354 122.390 122.390 120.750 1.640 17775 7090 1 12 . 1 1 79 79 ALA HA H 354 4.070 4.070 4.020 0.050 17775 7091 1 12 . 1 1 79 79 ALA C C 354 180.620 180.620 179.493 1.127 17775 7092 1 12 . 1 1 79 79 ALA CA C 354 55.270 55.270 54.943 0.327 17775 7093 1 12 . 1 1 79 79 ALA CB C 354 18.030 18.030 18.704 -0.674 17775 7094 1 12 . 1 1 79 79 ALA H H 354 7.850 7.850 7.921 -0.072 17775 7095 1 12 . 1 1 80 80 THR N N 355 107.540 107.540 110.061 -2.521 17775 7096 1 12 . 1 1 80 80 THR HA H 355 3.990 3.990 4.045 -0.055 17775 7097 1 12 . 1 1 80 80 THR C C 355 177.250 177.250 176.839 0.411 17775 7098 1 12 . 1 1 80 80 THR CA C 355 64.970 64.970 65.356 -0.386 17775 7099 1 12 . 1 1 80 80 THR CB C 355 69.020 69.020 68.620 0.400 17775 7100 1 12 . 1 1 80 80 THR H H 355 7.930 7.930 8.130 -0.200 17775 7101 1 12 . 1 1 81 81 GLU N N 356 120.380 120.380 119.747 0.633 17775 7102 1 12 . 1 1 81 81 GLU HA H 356 4.090 4.090 4.257 -0.167 17775 7103 1 12 . 1 1 81 81 GLU C C 356 177.280 177.280 177.306 -0.026 17775 7104 1 12 . 1 1 81 81 GLU CA C 356 58.020 58.020 57.687 0.333 17775 7105 1 12 . 1 1 81 81 GLU CB C 356 29.490 29.490 29.186 0.303 17775 7106 1 12 . 1 1 81 81 GLU H H 356 7.380 7.380 7.558 -0.178 17775 7107 1 12 . 1 1 82 82 MET N N 357 115.510 115.510 116.804 -1.294 17775 7108 1 12 . 1 1 82 82 MET HA H 357 4.480 4.480 4.309 0.171 17775 7109 1 12 . 1 1 82 82 MET C C 357 176.140 176.140 176.560 -0.420 17775 7110 1 12 . 1 1 82 82 MET CA C 357 54.810 54.810 55.847 -1.037 17775 7111 1 12 . 1 1 82 82 MET CB C 357 32.660 32.660 33.437 -0.777 17775 7112 1 12 . 1 1 82 82 MET H H 357 7.480 7.480 7.264 0.216 17775 7113 1 12 . 1 1 83 83 MET N N 358 119.530 119.530 119.379 0.151 17775 7114 1 12 . 1 1 83 83 MET HA H 358 4.020 4.020 4.279 -0.259 17775 7115 1 12 . 1 1 83 83 MET C C 358 175.670 175.670 176.063 -0.393 17775 7116 1 12 . 1 1 83 83 MET CA C 358 57.430 57.430 55.802 1.628 17775 7117 1 12 . 1 1 83 83 MET CB C 358 33.860 33.860 32.995 0.866 17775 7118 1 12 . 1 1 83 83 MET H H 358 7.010 7.010 7.490 -0.480 17775 7119 1 12 . 1 1 84 84 SER N N 359 119.110 119.110 118.230 0.880 17775 7120 1 12 . 1 1 84 84 SER HA H 359 4.300 4.300 4.554 -0.254 17775 7121 1 12 . 1 1 84 84 SER C C 359 176.160 176.160 175.632 0.528 17775 7122 1 12 . 1 1 84 84 SER CA C 359 59.170 59.170 58.076 1.094 17775 7123 1 12 . 1 1 84 84 SER CB C 359 64.540 64.540 64.154 0.386 17775 7124 1 12 . 1 1 84 84 SER H H 359 9.630 9.630 8.199 1.431 17775 7125 1 12 . 1 1 85 85 GLU N N 360 124.090 124.090 121.411 2.679 17775 7126 1 12 . 1 1 85 85 GLU CA C 360 58.880 58.880 59.089 -0.209 17775 7127 1 12 . 1 1 85 85 GLU CB C 360 29.560 29.560 29.474 0.086 17775 7128 1 12 . 1 1 85 85 GLU H H 360 8.810 8.810 9.017 -0.207 17775 7129 1 12 . 1 1 86 86 GLN HA H 361 4.220 4.220 4.145 0.075 17775 7130 1 12 . 1 1 86 86 GLN C C 361 176.370 176.370 177.135 -0.765 17775 7131 1 12 . 1 1 86 86 GLN CA C 361 58.440 58.440 58.093 0.347 17775 7132 1 12 . 1 1 86 86 GLN CB C 361 28.290 28.290 28.804 -0.514 17775 7133 1 12 . 1 1 87 87 ASP N N 362 118.700 118.700 117.270 1.430 17775 7134 1 12 . 1 1 87 87 ASP HA H 362 5.070 5.070 4.649 0.421 17775 7135 1 12 . 1 1 87 87 ASP C C 362 176.740 176.740 176.695 0.045 17775 7136 1 12 . 1 1 87 87 ASP CA C 362 53.710 53.710 53.035 0.675 17775 7137 1 12 . 1 1 87 87 ASP CB C 362 40.980 40.980 40.660 0.320 17775 7138 1 12 . 1 1 87 87 ASP H H 362 7.640 7.640 7.677 -0.037 17775 7139 1 12 . 1 1 88 88 GLY N N 363 110.410 110.410 109.086 1.324 17775 7140 1 12 . 1 1 88 88 GLY CA C 363 47.890 47.890 47.454 0.436 17775 7141 1 12 . 1 1 88 88 GLY H H 363 7.940 7.940 8.133 -0.193 17775 7142 1 12 . 1 1 89 89 TYR HA H 364 4.430 4.430 4.287 0.143 17775 7143 1 12 . 1 1 89 89 TYR C C 364 177.600 177.600 177.628 -0.028 17775 7144 1 12 . 1 1 89 89 TYR CA C 364 59.970 59.970 58.876 1.094 17775 7145 1 12 . 1 1 89 89 TYR CB C 364 37.100 37.100 37.100 0.000 17775 7146 1 12 . 1 1 89 89 TYR H H 364 8.470 8.470 8.352 0.118 17775 7147 1 12 . 1 1 90 90 LEU N N 365 124.000 124.000 119.775 4.225 17775 7148 1 12 . 1 1 90 90 LEU HA H 365 3.920 3.920 3.927 -0.007 17775 7149 1 12 . 1 1 90 90 LEU C C 365 178.180 178.180 178.509 -0.329 17775 7150 1 12 . 1 1 90 90 LEU CA C 365 57.050 57.050 56.506 0.544 17775 7151 1 12 . 1 1 90 90 LEU CB C 365 41.930 41.930 41.324 0.606 17775 7152 1 12 . 1 1 90 90 LEU H H 365 7.080 7.080 6.765 0.315 17775 7153 1 12 . 1 1 91 91 ALA N N 366 123.150 123.150 122.536 0.614 17775 7154 1 12 . 1 1 91 91 ALA HA H 366 3.790 3.790 3.971 -0.181 17775 7155 1 12 . 1 1 91 91 ALA C C 366 179.610 179.610 179.657 -0.047 17775 7156 1 12 . 1 1 91 91 ALA CA C 366 55.910 55.910 54.871 1.039 17775 7157 1 12 . 1 1 91 91 ALA CB C 366 18.450 18.450 18.352 0.098 17775 7158 1 12 . 1 1 91 91 ALA H H 366 7.880 7.880 7.524 0.356 17775 7159 1 12 . 1 1 92 92 GLU N N 367 116.750 116.750 117.858 -1.108 17775 7160 1 12 . 1 1 92 92 GLU HA H 367 4.010 4.010 3.962 0.048 17775 7161 1 12 . 1 1 92 92 GLU C C 367 177.910 177.910 179.028 -1.118 17775 7162 1 12 . 1 1 92 92 GLU CA C 367 59.420 59.420 59.558 -0.138 17775 7163 1 12 . 1 1 92 92 GLU CB C 367 29.620 29.620 29.422 0.198 17775 7164 1 12 . 1 1 92 92 GLU H H 367 8.100 8.100 8.758 -0.658 17775 7165 1 12 . 1 1 93 93 SER N N 368 115.480 115.480 114.868 0.612 17775 7166 1 12 . 1 1 93 93 SER HA H 368 4.060 4.060 4.190 -0.130 17775 7167 1 12 . 1 1 93 93 SER C C 368 176.360 176.360 176.410 -0.050 17775 7168 1 12 . 1 1 93 93 SER CA C 368 61.610 61.610 61.640 -0.030 17775 7169 1 12 . 1 1 93 93 SER CB C 368 63.080 63.080 62.899 0.181 17775 7170 1 12 . 1 1 93 93 SER H H 368 7.520 7.520 7.439 0.081 17775 7171 1 12 . 1 1 94 94 ILE N N 369 121.710 121.710 121.941 -0.231 17775 7172 1 12 . 1 1 94 94 ILE HA H 369 4.000 4.000 3.610 0.390 17775 7173 1 12 . 1 1 94 94 ILE C C 369 178.000 178.000 177.788 0.212 17775 7174 1 12 . 1 1 94 94 ILE CA C 369 65.470 65.470 64.942 0.528 17775 7175 1 12 . 1 1 94 94 ILE CB C 369 38.030 38.030 37.662 0.368 17775 7176 1 12 . 1 1 94 94 ILE H H 369 8.400 8.400 7.436 0.964 17775 7177 1 12 . 1 1 95 95 ASN N N 370 117.810 117.810 118.311 -0.501 17775 7178 1 12 . 1 1 95 95 ASN HA H 370 4.290 4.290 4.407 -0.117 17775 7179 1 12 . 1 1 95 95 ASN C C 370 179.730 179.730 177.344 2.386 17775 7180 1 12 . 1 1 95 95 ASN CA C 370 57.340 57.340 56.184 1.156 17775 7181 1 12 . 1 1 95 95 ASN CB C 370 38.280 38.280 37.874 0.406 17775 7182 1 12 . 1 1 95 95 ASN H H 370 8.270 8.270 8.089 0.181 17775 7183 1 12 . 1 1 96 96 LYS N N 371 121.220 121.220 121.008 0.212 17775 7184 1 12 . 1 1 96 96 LYS HA H 371 4.090 4.090 4.019 0.071 17775 7185 1 12 . 1 1 96 96 LYS C C 371 179.250 179.250 178.419 0.831 17775 7186 1 12 . 1 1 96 96 LYS CA C 371 59.650 59.650 59.514 0.136 17775 7187 1 12 . 1 1 96 96 LYS CB C 371 31.730 31.730 32.333 -0.603 17775 7188 1 12 . 1 1 96 96 LYS H H 371 7.960 7.960 7.924 0.036 17775 7189 1 12 . 1 1 97 97 ASP N N 372 122.870 122.870 119.835 3.035 17775 7190 1 12 . 1 1 97 97 ASP HA H 372 4.060 4.060 4.424 -0.364 17775 7191 1 12 . 1 1 97 97 ASP C C 372 179.300 179.300 178.824 0.476 17775 7192 1 12 . 1 1 97 97 ASP CA C 372 58.400 58.400 57.845 0.555 17775 7193 1 12 . 1 1 97 97 ASP CB C 372 41.130 41.130 40.460 0.670 17775 7194 1 12 . 1 1 97 97 ASP H H 372 7.920 7.920 7.734 0.186 17775 7195 1 12 . 1 1 98 98 ILE N N 373 123.090 123.090 120.099 2.991 17775 7196 1 12 . 1 1 98 98 ILE HA H 373 3.620 3.620 3.621 -0.001 17775 7197 1 12 . 1 1 98 98 ILE C C 373 178.330 178.330 177.610 0.720 17775 7198 1 12 . 1 1 98 98 ILE CA C 373 65.080 65.080 65.426 -0.346 17775 7199 1 12 . 1 1 98 98 ILE CB C 373 37.260 37.260 37.810 -0.551 17775 7200 1 12 . 1 1 98 98 ILE H H 373 8.720 8.720 7.664 1.056 17775 7201 1 12 . 1 1 99 99 GLU N N 374 120.550 120.550 120.234 0.316 17775 7202 1 12 . 1 1 99 99 GLU HA H 374 4.120 4.120 3.873 0.247 17775 7203 1 12 . 1 1 99 99 GLU C C 374 179.740 179.740 178.571 1.169 17775 7204 1 12 . 1 1 99 99 GLU CA C 374 59.570 59.570 60.014 -0.444 17775 7205 1 12 . 1 1 99 99 GLU CB C 374 28.910 28.910 29.374 -0.464 17775 7206 1 12 . 1 1 99 99 GLU H H 374 8.100 8.100 7.793 0.307 17775 7207 1 12 . 1 1 100 100 GLU N N 375 122.040 122.040 119.815 2.225 17775 7208 1 12 . 1 1 100 100 GLU HA H 375 4.140 4.140 4.036 0.104 17775 7209 1 12 . 1 1 100 100 GLU C C 375 178.810 178.810 178.965 -0.155 17775 7210 1 12 . 1 1 100 100 GLU CA C 375 59.830 59.830 59.371 0.459 17775 7211 1 12 . 1 1 100 100 GLU CB C 375 29.220 29.220 29.651 -0.430 17775 7212 1 12 . 1 1 100 100 GLU H H 375 8.060 8.060 7.755 0.305 17775 7213 1 12 . 1 1 101 101 CYS N N 376 117.330 117.330 117.529 -0.199 17775 7214 1 12 . 1 1 101 101 CYS HA H 376 3.960 3.960 4.089 -0.129 17775 7215 1 12 . 1 1 101 101 CYS C C 376 176.540 176.540 177.093 -0.553 17775 7216 1 12 . 1 1 101 101 CYS CA C 376 64.510 64.510 64.580 -0.070 17775 7217 1 12 . 1 1 101 101 CYS CB C 376 27.270 27.270 27.112 0.158 17775 7218 1 12 . 1 1 101 101 CYS H H 376 8.130 8.130 7.987 0.143 17775 7219 1 12 . 1 1 102 102 ASN N N 377 117.140 117.140 118.170 -1.030 17775 7220 1 12 . 1 1 102 102 ASN HA H 377 4.290 4.290 4.401 -0.111 17775 7221 1 12 . 1 1 102 102 ASN C C 377 176.980 176.980 176.882 0.098 17775 7222 1 12 . 1 1 102 102 ASN CA C 377 56.460 56.460 56.408 0.052 17775 7223 1 12 . 1 1 102 102 ASN CB C 377 38.440 38.440 38.396 0.044 17775 7224 1 12 . 1 1 102 102 ASN H H 377 8.430 8.430 8.093 0.337 17775 7225 1 12 . 1 1 103 103 ALA N N 378 123.350 123.350 122.878 0.472 17775 7226 1 12 . 1 1 103 103 ALA HA H 378 4.130 4.130 4.056 0.074 17775 7227 1 12 . 1 1 103 103 ALA C C 378 180.510 180.510 179.725 0.785 17775 7228 1 12 . 1 1 103 103 ALA CA C 378 55.120 55.120 55.144 -0.024 17775 7229 1 12 . 1 1 103 103 ALA CB C 378 17.960 17.960 18.318 -0.358 17775 7230 1 12 . 1 1 103 103 ALA H H 378 8.130 8.130 7.824 0.306 17775 7231 1 12 . 1 1 104 104 ILE N N 379 120.880 120.880 119.008 1.872 17775 7232 1 12 . 1 1 104 104 ILE HA H 379 3.680 3.680 3.630 0.050 17775 7233 1 12 . 1 1 104 104 ILE C C 379 178.260 178.260 178.145 0.115 17775 7234 1 12 . 1 1 104 104 ILE CA C 379 64.860 64.860 65.645 -0.785 17775 7235 1 12 . 1 1 104 104 ILE CB C 379 38.080 38.080 37.962 0.118 17775 7236 1 12 . 1 1 104 104 ILE H H 379 8.010 8.010 7.612 0.398 17775 7237 1 12 . 1 1 105 105 ILE N N 380 119.970 119.970 120.058 -0.088 17775 7238 1 12 . 1 1 105 105 ILE HA H 380 3.430 3.430 3.719 -0.289 17775 7239 1 12 . 1 1 105 105 ILE C C 380 177.660 177.660 178.244 -0.584 17775 7240 1 12 . 1 1 105 105 ILE CA C 380 65.490 65.490 65.884 -0.394 17775 7241 1 12 . 1 1 105 105 ILE CB C 380 38.060 38.060 37.569 0.491 17775 7242 1 12 . 1 1 105 105 ILE H H 380 8.060 8.060 7.762 0.298 17775 7243 1 12 . 1 1 106 106 GLU N N 381 118.640 118.640 118.703 -0.063 17775 7244 1 12 . 1 1 106 106 GLU HA H 381 3.970 3.970 3.969 0.001 17775 7245 1 12 . 1 1 106 106 GLU C C 381 178.440 178.440 179.206 -0.766 17775 7246 1 12 . 1 1 106 106 GLU CA C 381 59.260 59.260 59.731 -0.471 17775 7247 1 12 . 1 1 106 106 GLU CB C 381 29.570 29.570 28.990 0.580 17775 7248 1 12 . 1 1 106 106 GLU H H 381 8.140 8.140 8.096 0.044 17775 7249 1 12 . 1 1 107 107 GLN N N 382 117.770 117.770 119.616 -1.846 17775 7250 1 12 . 1 1 107 107 GLN HA H 382 4.040 4.040 4.052 -0.012 17775 7251 1 12 . 1 1 107 107 GLN C C 382 177.550 177.550 178.516 -0.966 17775 7252 1 12 . 1 1 107 107 GLN CA C 382 58.170 58.170 58.990 -0.820 17775 7253 1 12 . 1 1 107 107 GLN CB C 382 28.770 28.770 28.546 0.224 17775 7254 1 12 . 1 1 107 107 GLN H H 382 7.710 7.710 7.901 -0.191 17775 7255 1 12 . 1 1 108 108 PHE N N 383 118.750 118.750 118.890 -0.140 17775 7256 1 12 . 1 1 108 108 PHE HA H 383 4.490 4.490 4.173 0.317 17775 7257 1 12 . 1 1 108 108 PHE C C 383 176.570 176.570 178.137 -1.567 17775 7258 1 12 . 1 1 108 108 PHE CA C 383 59.360 59.360 62.442 -3.082 17775 7259 1 12 . 1 1 108 108 PHE CB C 383 38.760 38.760 38.885 -0.124 17775 7260 1 12 . 1 1 108 108 PHE H H 383 7.880 7.880 7.808 0.072 17775 7261 1 12 . 1 1 109 109 ILE N N 384 118.200 118.200 119.245 -1.045 17775 7262 1 12 . 1 1 109 109 ILE HA H 384 3.720 3.720 3.826 -0.106 17775 7263 1 12 . 1 1 109 109 ILE C C 384 177.450 177.450 177.274 0.176 17775 7264 1 12 . 1 1 109 109 ILE CA C 384 64.280 64.280 65.127 -0.847 17775 7265 1 12 . 1 1 109 109 ILE CB C 384 37.870 37.870 38.018 -0.148 17775 7266 1 12 . 1 1 109 109 ILE H H 384 7.950 7.950 7.817 0.133 17775 7267 1 12 . 1 1 110 110 ASP N N 385 119.750 119.750 118.198 1.552 17775 7268 1 12 . 1 1 110 110 ASP HA H 385 4.440 4.440 4.393 0.047 17775 7269 1 12 . 1 1 110 110 ASP C C 385 177.620 177.620 177.722 -0.102 17775 7270 1 12 . 1 1 110 110 ASP CA C 385 56.500 56.500 56.530 -0.030 17775 7271 1 12 . 1 1 110 110 ASP CB C 385 40.860 40.860 41.422 -0.562 17775 7272 1 12 . 1 1 110 110 ASP H H 385 7.840 7.840 7.870 -0.030 17775 7273 1 12 . 1 1 111 111 TYR N N 386 118.370 118.370 119.006 -0.636 17775 7274 1 12 . 1 1 111 111 TYR HA H 386 4.430 4.430 4.250 0.180 17775 7275 1 12 . 1 1 111 111 TYR C C 386 176.320 176.320 176.138 0.182 17775 7276 1 12 . 1 1 111 111 TYR CA C 386 58.940 58.940 60.641 -1.701 17775 7277 1 12 . 1 1 111 111 TYR CB C 386 38.440 38.440 39.254 -0.814 17775 7278 1 12 . 1 1 111 111 TYR H H 386 7.760 7.760 7.805 -0.045 17775 7279 1 12 . 1 1 112 112 LEU N N 387 119.730 119.730 119.398 0.332 17775 7280 1 12 . 1 1 112 112 LEU HA H 387 4.230 4.230 4.482 -0.252 17775 7281 1 12 . 1 1 112 112 LEU C C 387 175.900 175.900 176.137 -0.237 17775 7282 1 12 . 1 1 112 112 LEU CA C 387 55.090 55.090 54.386 0.704 17775 7283 1 12 . 1 1 112 112 LEU CB C 387 42.670 42.670 43.033 -0.363 17775 7284 1 12 . 1 1 112 112 LEU H H 387 7.660 7.660 7.650 0.010 17775 7285 1 13 . 1 1 5 5 ILE HA H 280 4.190 4.190 3.878 0.312 17775 7286 1 13 . 1 1 5 5 ILE CA C 280 61.650 61.650 64.360 -2.710 17775 7287 1 13 . 1 1 5 5 ILE CB C 280 38.520 38.520 37.852 0.668 17775 7288 1 13 . 1 1 6 6 THR HA H 281 4.340 4.340 4.015 0.325 17775 7289 1 13 . 1 1 6 6 THR CA C 281 62.680 62.680 66.000 -3.320 17775 7290 1 13 . 1 1 6 6 THR CB C 281 69.630 69.630 68.235 1.395 17775 7291 1 13 . 1 1 8 8 PRO HA H 283 4.230 4.230 4.415 -0.185 17775 7292 1 13 . 1 1 8 8 PRO CA C 283 65.940 65.940 65.729 0.211 17775 7293 1 13 . 1 1 8 8 PRO CB C 283 30.730 30.730 30.880 -0.150 17775 7294 1 13 . 1 1 9 9 ILE N N 284 115.670 115.670 118.914 -3.244 17775 7295 1 13 . 1 1 9 9 ILE HA H 284 3.420 3.420 3.836 -0.416 17775 7296 1 13 . 1 1 9 9 ILE C C 284 177.820 177.820 178.305 -0.485 17775 7297 1 13 . 1 1 9 9 ILE CA C 284 65.540 65.540 63.792 1.748 17775 7298 1 13 . 1 1 9 9 ILE CB C 284 36.810 36.810 36.867 -0.057 17775 7299 1 13 . 1 1 9 9 ILE H H 284 7.300 7.300 7.112 0.188 17775 7300 1 13 . 1 1 10 10 ILE N N 285 121.880 121.880 120.822 1.058 17775 7301 1 13 . 1 1 10 10 ILE HA H 285 3.800 3.800 3.812 -0.012 17775 7302 1 13 . 1 1 10 10 ILE C C 285 177.690 177.690 178.992 -1.302 17775 7303 1 13 . 1 1 10 10 ILE CA C 285 62.880 62.880 63.202 -0.322 17775 7304 1 13 . 1 1 10 10 ILE CB C 285 36.560 36.560 36.339 0.221 17775 7305 1 13 . 1 1 10 10 ILE H H 285 7.880 7.880 7.751 0.129 17775 7306 1 13 . 1 1 11 11 GLU N N 286 120.580 120.580 120.487 0.093 17775 7307 1 13 . 1 1 11 11 GLU HA H 286 4.080 4.080 4.061 0.019 17775 7308 1 13 . 1 1 11 11 GLU C C 286 180.980 180.980 179.526 1.454 17775 7309 1 13 . 1 1 11 11 GLU CA C 286 59.630 59.630 59.842 -0.212 17775 7310 1 13 . 1 1 11 11 GLU CB C 286 29.550 29.550 29.641 -0.091 17775 7311 1 13 . 1 1 11 11 GLU H H 286 8.450 8.450 7.863 0.587 17775 7312 1 13 . 1 1 12 12 LEU N N 287 121.340 121.340 119.377 1.963 17775 7313 1 13 . 1 1 12 12 LEU HA H 287 4.010 4.010 4.059 -0.049 17775 7314 1 13 . 1 1 12 12 LEU C C 287 178.030 178.030 179.007 -0.977 17775 7315 1 13 . 1 1 12 12 LEU CA C 287 58.310 58.310 58.067 0.243 17775 7316 1 13 . 1 1 12 12 LEU CB C 287 42.050 42.050 41.996 0.054 17775 7317 1 13 . 1 1 12 12 LEU H H 287 8.490 8.490 8.026 0.464 17775 7318 1 13 . 1 1 13 13 SER N N 288 117.590 117.590 114.994 2.596 17775 7319 1 13 . 1 1 13 13 SER HA H 288 4.190 4.190 4.041 0.149 17775 7320 1 13 . 1 1 13 13 SER C C 288 175.660 175.660 176.951 -1.291 17775 7321 1 13 . 1 1 13 13 SER CA C 288 61.670 61.670 61.731 -0.061 17775 7322 1 13 . 1 1 13 13 SER CB C 288 62.490 62.490 62.927 -0.437 17775 7323 1 13 . 1 1 13 13 SER H H 288 8.330 8.330 8.134 0.196 17775 7324 1 13 . 1 1 14 14 ASN N N 289 119.150 119.150 121.134 -1.984 17775 7325 1 13 . 1 1 14 14 ASN HA H 289 4.450 4.450 4.548 -0.098 17775 7326 1 13 . 1 1 14 14 ASN C C 289 178.480 178.480 177.818 0.662 17775 7327 1 13 . 1 1 14 14 ASN CA C 289 55.870 55.870 55.967 -0.097 17775 7328 1 13 . 1 1 14 14 ASN CB C 289 38.090 38.090 38.348 -0.258 17775 7329 1 13 . 1 1 14 14 ASN H H 289 8.650 8.650 8.266 0.384 17775 7330 1 13 . 1 1 15 15 THR N N 290 117.650 117.650 117.312 0.338 17775 7331 1 13 . 1 1 15 15 THR HA H 290 3.830 3.830 3.986 -0.156 17775 7332 1 13 . 1 1 15 15 THR C C 290 175.030 175.030 175.988 -0.958 17775 7333 1 13 . 1 1 15 15 THR CA C 290 67.790 67.790 66.492 1.298 17775 7334 1 13 . 1 1 15 15 THR CB C 290 68.660 68.660 68.330 0.330 17775 7335 1 13 . 1 1 15 15 THR H H 290 8.040 8.040 8.063 -0.023 17775 7336 1 13 . 1 1 16 16 ALA N N 291 124.470 124.470 124.156 0.314 17775 7337 1 13 . 1 1 16 16 ALA HA H 291 3.850 3.850 3.916 -0.066 17775 7338 1 13 . 1 1 16 16 ALA C C 291 178.470 178.470 179.027 -0.557 17775 7339 1 13 . 1 1 16 16 ALA CA C 291 55.430 55.430 55.233 0.197 17775 7340 1 13 . 1 1 16 16 ALA CB C 291 17.820 17.820 18.155 -0.335 17775 7341 1 13 . 1 1 16 16 ALA H H 291 8.530 8.530 7.827 0.703 17775 7342 1 13 . 1 1 17 17 ASP N N 292 117.560 117.560 119.012 -1.452 17775 7343 1 13 . 1 1 17 17 ASP HA H 292 4.360 4.360 4.349 0.011 17775 7344 1 13 . 1 1 17 17 ASP C C 292 178.420 178.420 178.871 -0.451 17775 7345 1 13 . 1 1 17 17 ASP CA C 292 57.430 57.430 57.454 -0.024 17775 7346 1 13 . 1 1 17 17 ASP CB C 292 40.130 40.130 40.414 -0.284 17775 7347 1 13 . 1 1 17 17 ASP H H 292 8.290 8.290 7.942 0.348 17775 7348 1 13 . 1 1 18 18 LYS N N 293 119.100 119.100 119.822 -0.722 17775 7349 1 13 . 1 1 18 18 LYS HA H 293 4.010 4.010 4.329 -0.319 17775 7350 1 13 . 1 1 18 18 LYS C C 293 180.170 180.170 179.101 1.069 17775 7351 1 13 . 1 1 18 18 LYS CA C 293 59.020 59.020 59.217 -0.197 17775 7352 1 13 . 1 1 18 18 LYS CB C 293 32.270 32.270 32.524 -0.254 17775 7353 1 13 . 1 1 18 18 LYS H H 293 7.690 7.690 7.536 0.154 17775 7354 1 13 . 1 1 19 19 ILE N N 294 122.510 122.510 119.916 2.594 17775 7355 1 13 . 1 1 19 19 ILE HA H 294 3.690 3.690 4.086 -0.396 17775 7356 1 13 . 1 1 19 19 ILE C C 294 178.920 178.920 178.749 0.171 17775 7357 1 13 . 1 1 19 19 ILE CA C 294 64.400 64.400 64.809 -0.409 17775 7358 1 13 . 1 1 19 19 ILE CB C 294 38.320 38.320 37.931 0.389 17775 7359 1 13 . 1 1 19 19 ILE H H 294 8.220 8.220 7.760 0.460 17775 7360 1 13 . 1 1 20 20 ALA N N 295 123.270 123.270 121.999 1.271 17775 7361 1 13 . 1 1 20 20 ALA HA H 295 3.850 3.850 4.064 -0.214 17775 7362 1 13 . 1 1 20 20 ALA C C 295 179.390 179.390 179.054 0.336 17775 7363 1 13 . 1 1 20 20 ALA CA C 295 55.370 55.370 54.849 0.521 17775 7364 1 13 . 1 1 20 20 ALA CB C 295 17.880 17.880 18.331 -0.451 17775 7365 1 13 . 1 1 20 20 ALA H H 295 8.580 8.580 7.803 0.777 17775 7366 1 13 . 1 1 21 21 GLU N N 296 115.530 115.530 116.378 -0.848 17775 7367 1 13 . 1 1 21 21 GLU HA H 296 4.160 4.160 4.164 -0.004 17775 7368 1 13 . 1 1 21 21 GLU C C 296 176.560 176.560 177.720 -1.160 17775 7369 1 13 . 1 1 21 21 GLU CA C 296 56.400 56.400 56.590 -0.190 17775 7370 1 13 . 1 1 21 21 GLU CB C 296 29.830 29.830 29.817 0.013 17775 7371 1 13 . 1 1 21 21 GLU H H 296 7.680 7.680 7.783 -0.103 17775 7372 1 13 . 1 1 22 22 GLY N N 297 105.910 105.910 107.381 -1.471 17775 7373 1 13 . 1 1 22 22 GLY C C 297 174.160 174.160 174.342 -0.182 17775 7374 1 13 . 1 1 22 22 GLY CA C 297 45.040 45.040 44.605 0.435 17775 7375 1 13 . 1 1 22 22 GLY H H 297 7.820 7.820 7.947 -0.127 17775 7376 1 13 . 1 1 23 23 ASN N N 298 120.260 120.260 121.748 -1.488 17775 7377 1 13 . 1 1 23 23 ASN HA H 298 4.960 4.960 4.945 0.015 17775 7378 1 13 . 1 1 23 23 ASN C C 298 174.560 174.560 176.016 -1.456 17775 7379 1 13 . 1 1 23 23 ASN CA C 298 51.800 51.800 52.219 -0.419 17775 7380 1 13 . 1 1 23 23 ASN CB C 298 36.750 36.750 37.579 -0.829 17775 7381 1 13 . 1 1 23 23 ASN H H 298 8.070 8.070 8.118 -0.048 17775 7382 1 13 . 1 1 24 24 LEU N N 299 119.750 119.750 122.805 -3.055 17775 7383 1 13 . 1 1 24 24 LEU HA H 299 3.950 3.950 4.039 -0.089 17775 7384 1 13 . 1 1 24 24 LEU C C 299 176.390 176.390 178.254 -1.864 17775 7385 1 13 . 1 1 24 24 LEU CA C 299 56.250 56.250 57.590 -1.340 17775 7386 1 13 . 1 1 24 24 LEU CB C 299 41.260 41.260 41.630 -0.371 17775 7387 1 13 . 1 1 24 24 LEU H H 299 7.850 7.850 7.528 0.322 17775 7388 1 13 . 1 1 25 25 GLU N N 300 114.210 114.210 117.464 -3.254 17775 7389 1 13 . 1 1 25 25 GLU HA H 300 4.230 4.230 4.219 0.011 17775 7390 1 13 . 1 1 25 25 GLU C C 300 176.050 176.050 176.045 0.005 17775 7391 1 13 . 1 1 25 25 GLU CA C 300 55.640 55.640 56.205 -0.565 17775 7392 1 13 . 1 1 25 25 GLU CB C 300 29.410 29.410 29.338 0.072 17775 7393 1 13 . 1 1 25 25 GLU H H 300 7.840 7.840 8.409 -0.569 17775 7394 1 13 . 1 1 26 26 ALA N N 301 124.010 124.010 124.669 -0.659 17775 7395 1 13 . 1 1 26 26 ALA HA H 301 3.880 3.880 4.126 -0.246 17775 7396 1 13 . 1 1 26 26 ALA C C 301 175.390 175.390 177.015 -1.625 17775 7397 1 13 . 1 1 26 26 ALA CA C 301 52.890 52.890 52.476 0.414 17775 7398 1 13 . 1 1 26 26 ALA CB C 301 18.570 18.570 18.968 -0.399 17775 7399 1 13 . 1 1 26 26 ALA H H 301 6.770 6.770 7.247 -0.477 17775 7400 1 13 . 1 1 27 27 GLU N N 302 120.120 120.120 122.923 -2.803 17775 7401 1 13 . 1 1 27 27 GLU HA H 302 4.080 4.080 4.185 -0.105 17775 7402 1 13 . 1 1 27 27 GLU C C 302 176.510 176.510 175.989 0.521 17775 7403 1 13 . 1 1 27 27 GLU CA C 302 55.150 55.150 56.120 -0.970 17775 7404 1 13 . 1 1 27 27 GLU CB C 302 30.160 30.160 30.302 -0.142 17775 7405 1 13 . 1 1 27 27 GLU H H 302 7.880 7.880 8.351 -0.470 17775 7406 1 13 . 1 1 28 28 VAL N N 303 129.020 129.020 124.907 4.113 17775 7407 1 13 . 1 1 28 28 VAL HA H 303 4.230 4.230 4.200 0.030 17775 7408 1 13 . 1 1 28 28 VAL CA C 303 60.440 60.440 60.154 0.286 17775 7409 1 13 . 1 1 28 28 VAL CB C 303 31.760 31.760 31.759 0.000 17775 7410 1 13 . 1 1 28 28 VAL H H 303 8.890 8.890 8.135 0.755 17775 7411 1 13 . 1 1 29 29 PRO HA H 304 4.400 4.400 4.547 -0.147 17775 7412 1 13 . 1 1 29 29 PRO CA C 304 62.790 62.790 62.263 0.527 17775 7413 1 13 . 1 1 29 29 PRO CB C 304 32.120 32.120 32.628 -0.508 17775 7414 1 13 . 1 1 30 30 HIS N N 305 103.640 103.640 112.705 -9.065 17775 7415 1 13 . 1 1 30 30 HIS HA H 305 4.210 4.210 4.212 -0.002 17775 7416 1 13 . 1 1 30 30 HIS C C 305 175.590 175.590 176.981 -1.391 17775 7417 1 13 . 1 1 30 30 HIS CA C 305 57.950 57.950 57.343 0.607 17775 7418 1 13 . 1 1 30 30 HIS CB C 305 27.910 27.910 27.375 0.534 17775 7419 1 13 . 1 1 30 30 HIS H H 305 7.780 7.780 8.352 -0.572 17775 7420 1 13 . 1 1 31 31 GLN N N 306 114.840 114.840 118.478 -3.638 17775 7421 1 13 . 1 1 31 31 GLN HA H 306 3.990 3.990 4.112 -0.122 17775 7422 1 13 . 1 1 31 31 GLN C C 306 176.290 176.290 176.691 -0.401 17775 7423 1 13 . 1 1 31 31 GLN CA C 306 58.680 58.680 57.982 0.698 17775 7424 1 13 . 1 1 31 31 GLN CB C 306 30.630 30.630 28.714 1.916 17775 7425 1 13 . 1 1 31 31 GLN H H 306 8.010 8.010 8.669 -0.659 17775 7426 1 13 . 1 1 32 32 ASN N N 307 113.230 113.230 114.986 -1.756 17775 7427 1 13 . 1 1 32 32 ASN HA H 307 4.640 4.640 4.737 -0.097 17775 7428 1 13 . 1 1 32 32 ASN C C 307 175.610 175.610 175.539 0.071 17775 7429 1 13 . 1 1 32 32 ASN CA C 307 52.800 52.800 53.274 -0.474 17775 7430 1 13 . 1 1 32 32 ASN CB C 307 37.630 37.630 38.129 -0.499 17775 7431 1 13 . 1 1 32 32 ASN H H 307 8.360 8.360 8.219 0.141 17775 7432 1 13 . 1 1 33 33 ARG N N 308 119.580 119.580 120.434 -0.854 17775 7433 1 13 . 1 1 33 33 ARG HA H 308 4.140 4.140 4.258 -0.118 17775 7434 1 13 . 1 1 33 33 ARG CA C 308 56.950 56.950 56.526 0.424 17775 7435 1 13 . 1 1 33 33 ARG CB C 308 33.030 33.030 30.990 2.040 17775 7436 1 13 . 1 1 33 33 ARG H H 308 7.160 7.160 7.398 -0.238 17775 7437 1 13 . 1 1 34 34 ALA HA H 309 4.530 4.530 4.278 0.252 17775 7438 1 13 . 1 1 34 34 ALA C C 309 176.610 176.610 177.064 -0.454 17775 7439 1 13 . 1 1 34 34 ALA CA C 309 51.650 51.650 52.763 -1.113 17775 7440 1 13 . 1 1 34 34 ALA CB C 309 18.830 18.830 19.157 -0.327 17775 7441 1 13 . 1 1 35 35 ASP N N 310 117.680 117.680 118.836 -1.156 17775 7442 1 13 . 1 1 35 35 ASP HA H 310 4.660 4.660 4.645 0.015 17775 7443 1 13 . 1 1 35 35 ASP C C 310 176.740 176.740 177.076 -0.336 17775 7444 1 13 . 1 1 35 35 ASP CA C 310 52.240 52.240 52.943 -0.703 17775 7445 1 13 . 1 1 35 35 ASP CB C 310 41.580 41.580 40.645 0.935 17775 7446 1 13 . 1 1 35 35 ASP H H 310 7.460 7.460 7.706 -0.246 17775 7447 1 13 . 1 1 36 36 GLU N N 311 118.110 118.110 117.306 0.804 17775 7448 1 13 . 1 1 36 36 GLU HA H 311 3.870 3.870 4.063 -0.193 17775 7449 1 13 . 1 1 36 36 GLU C C 311 177.440 177.440 178.422 -0.982 17775 7450 1 13 . 1 1 36 36 GLU CA C 311 60.460 60.460 59.794 0.666 17775 7451 1 13 . 1 1 36 36 GLU CB C 311 27.660 27.660 29.381 -1.721 17775 7452 1 13 . 1 1 36 36 GLU H H 311 9.910 9.910 8.654 1.256 17775 7453 1 13 . 1 1 37 37 ILE N N 312 118.790 118.790 119.494 -0.704 17775 7454 1 13 . 1 1 37 37 ILE HA H 312 3.570 3.570 3.867 -0.297 17775 7455 1 13 . 1 1 37 37 ILE C C 312 177.460 177.460 178.155 -0.695 17775 7456 1 13 . 1 1 37 37 ILE CA C 312 63.170 63.170 62.834 0.336 17775 7457 1 13 . 1 1 37 37 ILE CB C 312 35.770 35.770 36.631 -0.861 17775 7458 1 13 . 1 1 37 37 ILE H H 312 7.420 7.420 7.650 -0.230 17775 7459 1 13 . 1 1 38 38 GLY N N 313 108.320 108.320 109.168 -0.848 17775 7460 1 13 . 1 1 38 38 GLY C C 313 176.200 176.200 176.175 0.025 17775 7461 1 13 . 1 1 38 38 GLY CA C 313 47.090 47.090 47.353 -0.263 17775 7462 1 13 . 1 1 38 38 GLY H H 313 7.510 7.510 7.910 -0.400 17775 7463 1 13 . 1 1 39 39 ILE N N 314 121.890 121.890 122.575 -0.685 17775 7464 1 13 . 1 1 39 39 ILE HA H 314 3.630 3.630 3.693 -0.063 17775 7465 1 13 . 1 1 39 39 ILE C C 314 179.070 179.070 177.573 1.497 17775 7466 1 13 . 1 1 39 39 ILE CA C 314 64.750 64.750 65.054 -0.304 17775 7467 1 13 . 1 1 39 39 ILE CB C 314 37.610 37.610 37.986 -0.376 17775 7468 1 13 . 1 1 39 39 ILE H H 314 7.390 7.390 7.689 -0.299 17775 7469 1 13 . 1 1 40 40 LEU N N 315 121.370 121.370 121.532 -0.162 17775 7470 1 13 . 1 1 40 40 LEU HA H 315 4.120 4.120 4.081 0.039 17775 7471 1 13 . 1 1 40 40 LEU C C 315 178.560 178.560 178.251 0.309 17775 7472 1 13 . 1 1 40 40 LEU CA C 315 57.620 57.620 57.807 -0.187 17775 7473 1 13 . 1 1 40 40 LEU CB C 315 41.490 41.490 41.605 -0.115 17775 7474 1 13 . 1 1 40 40 LEU H H 315 7.770 7.770 7.812 -0.042 17775 7475 1 13 . 1 1 41 41 ALA N N 316 123.480 123.480 121.677 1.803 17775 7476 1 13 . 1 1 41 41 ALA HA H 316 3.840 3.840 3.951 -0.111 17775 7477 1 13 . 1 1 41 41 ALA C C 316 179.700 179.700 179.636 0.064 17775 7478 1 13 . 1 1 41 41 ALA CA C 316 56.180 56.180 55.481 0.699 17775 7479 1 13 . 1 1 41 41 ALA CB C 316 19.870 19.870 18.422 1.448 17775 7480 1 13 . 1 1 41 41 ALA H H 316 9.020 9.020 8.002 1.018 17775 7481 1 13 . 1 1 42 42 LYS N N 317 116.890 116.890 118.584 -1.694 17775 7482 1 13 . 1 1 42 42 LYS HA H 317 3.900 3.900 4.022 -0.122 17775 7483 1 13 . 1 1 42 42 LYS C C 317 179.730 179.730 179.237 0.493 17775 7484 1 13 . 1 1 42 42 LYS CA C 317 60.430 60.430 59.407 1.023 17775 7485 1 13 . 1 1 42 42 LYS H H 317 8.320 8.320 7.998 0.322 17775 7486 1 13 . 1 1 43 43 SER N N 318 119.130 119.130 115.524 3.606 17775 7487 1 13 . 1 1 43 43 SER HA H 318 4.340 4.340 4.194 0.146 17775 7488 1 13 . 1 1 43 43 SER C C 318 177.430 177.430 176.765 0.665 17775 7489 1 13 . 1 1 43 43 SER CA C 318 62.630 62.630 61.648 0.982 17775 7490 1 13 . 1 1 43 43 SER CB C 318 63.050 63.050 63.000 0.050 17775 7491 1 13 . 1 1 43 43 SER H H 318 8.060 8.060 8.010 0.050 17775 7492 1 13 . 1 1 44 44 ILE N N 319 124.020 124.020 123.091 0.929 17775 7493 1 13 . 1 1 44 44 ILE HA H 319 3.640 3.640 3.694 -0.054 17775 7494 1 13 . 1 1 44 44 ILE C C 319 177.190 177.190 177.850 -0.660 17775 7495 1 13 . 1 1 44 44 ILE CA C 319 65.020 65.020 65.072 -0.052 17775 7496 1 13 . 1 1 44 44 ILE CB C 319 36.790 36.790 37.639 -0.849 17775 7497 1 13 . 1 1 44 44 ILE H H 319 8.250 8.250 7.702 0.548 17775 7498 1 13 . 1 1 45 45 GLU N N 320 123.090 123.090 120.746 2.344 17775 7499 1 13 . 1 1 45 45 GLU HA H 320 4.600 4.600 3.961 0.639 17775 7500 1 13 . 1 1 45 45 GLU C C 320 178.190 178.190 178.644 -0.454 17775 7501 1 13 . 1 1 45 45 GLU CA C 320 58.430 58.430 59.436 -1.006 17775 7502 1 13 . 1 1 45 45 GLU CB C 320 27.700 27.700 29.210 -1.510 17775 7503 1 13 . 1 1 45 45 GLU H H 320 8.390 8.390 7.999 0.391 17775 7504 1 13 . 1 1 46 46 ARG N N 321 119.760 119.760 119.209 0.551 17775 7505 1 13 . 1 1 46 46 ARG HA H 321 3.930 3.930 4.047 -0.117 17775 7506 1 13 . 1 1 46 46 ARG C C 321 179.950 179.950 179.058 0.892 17775 7507 1 13 . 1 1 46 46 ARG CA C 321 60.440 60.440 59.382 1.058 17775 7508 1 13 . 1 1 46 46 ARG CB C 321 29.770 29.770 30.142 -0.372 17775 7509 1 13 . 1 1 46 46 ARG H H 321 8.000 8.000 7.786 0.214 17775 7510 1 13 . 1 1 47 47 LEU N N 322 121.360 121.360 119.406 1.954 17775 7511 1 13 . 1 1 47 47 LEU HA H 322 4.020 4.020 4.031 -0.011 17775 7512 1 13 . 1 1 47 47 LEU C C 322 178.040 178.040 178.716 -0.676 17775 7513 1 13 . 1 1 47 47 LEU CA C 322 58.550 58.550 58.008 0.542 17775 7514 1 13 . 1 1 47 47 LEU CB C 322 41.650 41.650 41.544 0.106 17775 7515 1 13 . 1 1 47 47 LEU H H 322 7.870 7.870 7.841 0.029 17775 7516 1 13 . 1 1 48 48 ARG N N 323 121.390 121.390 119.247 2.143 17775 7517 1 13 . 1 1 48 48 ARG HA H 323 3.690 3.690 3.920 -0.230 17775 7518 1 13 . 1 1 48 48 ARG C C 323 178.120 178.120 178.331 -0.211 17775 7519 1 13 . 1 1 48 48 ARG CA C 323 60.630 60.630 59.701 0.929 17775 7520 1 13 . 1 1 48 48 ARG CB C 323 30.230 30.230 29.955 0.275 17775 7521 1 13 . 1 1 48 48 ARG H H 323 8.730 8.730 7.887 0.843 17775 7522 1 13 . 1 1 49 49 ARG N N 324 116.720 116.720 119.200 -2.480 17775 7523 1 13 . 1 1 49 49 ARG HA H 324 3.840 3.840 3.998 -0.158 17775 7524 1 13 . 1 1 49 49 ARG C C 324 179.060 179.060 178.422 0.638 17775 7525 1 13 . 1 1 49 49 ARG CA C 324 59.930 59.930 59.828 0.102 17775 7526 1 13 . 1 1 49 49 ARG CB C 324 29.830 29.830 30.141 -0.311 17775 7527 1 13 . 1 1 49 49 ARG H H 324 8.550 8.550 8.060 0.490 17775 7528 1 13 . 1 1 50 50 SER N N 325 117.600 117.600 116.339 1.261 17775 7529 1 13 . 1 1 50 50 SER HA H 325 4.120 4.120 4.164 -0.044 17775 7530 1 13 . 1 1 50 50 SER C C 325 176.050 176.050 176.832 -0.782 17775 7531 1 13 . 1 1 50 50 SER CA C 325 62.630 62.630 62.143 0.487 17775 7532 1 13 . 1 1 50 50 SER CB C 325 62.950 62.950 63.007 -0.057 17775 7533 1 13 . 1 1 50 50 SER H H 325 8.170 8.170 7.786 0.384 17775 7534 1 13 . 1 1 51 51 LEU N N 326 123.730 123.730 122.201 1.529 17775 7535 1 13 . 1 1 51 51 LEU HA H 326 3.990 3.990 3.967 0.023 17775 7536 1 13 . 1 1 51 51 LEU C C 326 177.380 177.380 178.353 -0.973 17775 7537 1 13 . 1 1 51 51 LEU CA C 326 58.580 58.580 58.054 0.526 17775 7538 1 13 . 1 1 51 51 LEU CB C 326 42.190 42.190 41.698 0.492 17775 7539 1 13 . 1 1 51 51 LEU H H 326 8.190 8.190 7.827 0.363 17775 7540 1 13 . 1 1 52 52 LYS N N 327 119.170 119.170 119.196 -0.026 17775 7541 1 13 . 1 1 52 52 LYS HA H 327 3.860 3.860 3.842 0.018 17775 7542 1 13 . 1 1 52 52 LYS C C 327 179.050 179.050 178.870 0.180 17775 7543 1 13 . 1 1 52 52 LYS CA C 327 59.700 59.700 59.720 -0.020 17775 7544 1 13 . 1 1 52 52 LYS CB C 327 32.020 32.020 32.255 -0.235 17775 7545 1 13 . 1 1 52 52 LYS H H 327 8.580 8.580 7.895 0.685 17775 7546 1 13 . 1 1 53 53 GLN N N 328 118.180 118.180 119.145 -0.965 17775 7547 1 13 . 1 1 53 53 GLN HA H 328 4.080 4.080 4.089 -0.009 17775 7548 1 13 . 1 1 53 53 GLN C C 328 177.960 177.960 178.500 -0.540 17775 7549 1 13 . 1 1 53 53 GLN CA C 328 58.690 58.690 58.848 -0.158 17775 7550 1 13 . 1 1 53 53 GLN CB C 328 28.450 28.450 28.420 0.030 17775 7551 1 13 . 1 1 53 53 GLN H H 328 8.080 8.080 7.892 0.188 17775 7552 1 13 . 1 1 54 54 LEU N N 329 118.740 118.740 119.736 -0.996 17775 7553 1 13 . 1 1 54 54 LEU HA H 329 4.150 4.150 4.009 0.141 17775 7554 1 13 . 1 1 54 54 LEU C C 329 179.580 179.580 178.999 0.581 17775 7555 1 13 . 1 1 54 54 LEU CA C 329 58.080 58.080 58.001 0.080 17775 7556 1 13 . 1 1 54 54 LEU CB C 329 42.620 42.620 41.727 0.893 17775 7557 1 13 . 1 1 54 54 LEU H H 329 7.680 7.680 7.986 -0.306 17775 7558 1 13 . 1 1 55 55 ALA N N 330 123.330 123.330 122.066 1.264 17775 7559 1 13 . 1 1 55 55 ALA HA H 330 4.050 4.050 3.912 0.138 17775 7560 1 13 . 1 1 55 55 ALA C C 330 180.530 180.530 179.446 1.084 17775 7561 1 13 . 1 1 55 55 ALA CA C 330 55.630 55.630 55.450 0.180 17775 7562 1 13 . 1 1 55 55 ALA CB C 330 18.320 18.320 17.987 0.333 17775 7563 1 13 . 1 1 55 55 ALA H H 330 8.390 8.390 7.956 0.434 17775 7564 1 13 . 1 1 56 56 ASP N N 331 121.350 121.350 118.905 2.445 17775 7565 1 13 . 1 1 56 56 ASP HA H 331 4.420 4.420 4.337 0.083 17775 7566 1 13 . 1 1 56 56 ASP C C 331 179.100 179.100 178.475 0.625 17775 7567 1 13 . 1 1 56 56 ASP CA C 331 57.430 57.430 57.385 0.045 17775 7568 1 13 . 1 1 56 56 ASP CB C 331 39.630 39.630 40.164 -0.534 17775 7569 1 13 . 1 1 56 56 ASP H H 331 8.820 8.820 7.959 0.861 17775 7570 1 13 . 1 1 57 57 ASP N N 332 121.570 121.570 120.162 1.408 17775 7571 1 13 . 1 1 57 57 ASP HA H 332 4.490 4.490 4.368 0.122 17775 7572 1 13 . 1 1 57 57 ASP C C 332 179.080 179.080 178.555 0.525 17775 7573 1 13 . 1 1 57 57 ASP CA C 332 57.380 57.380 57.307 0.073 17775 7574 1 13 . 1 1 57 57 ASP CB C 332 40.440 40.440 40.553 -0.113 17775 7575 1 13 . 1 1 57 57 ASP H H 332 8.420 8.420 8.196 0.224 17775 7576 1 13 . 1 1 58 58 ARG N N 333 120.250 120.250 120.237 0.013 17775 7577 1 13 . 1 1 58 58 ARG HA H 333 3.940 3.940 3.980 -0.040 17775 7578 1 13 . 1 1 58 58 ARG C C 333 177.770 177.770 178.501 -0.731 17775 7579 1 13 . 1 1 58 58 ARG CA C 333 58.790 58.790 59.671 -0.881 17775 7580 1 13 . 1 1 58 58 ARG CB C 333 30.300 30.300 30.321 -0.021 17775 7581 1 13 . 1 1 58 58 ARG H H 333 7.900 7.900 7.771 0.129 17775 7582 1 13 . 1 1 59 59 THR N N 334 115.160 115.160 116.312 -1.152 17775 7583 1 13 . 1 1 59 59 THR HA H 334 3.960 3.960 4.070 -0.110 17775 7584 1 13 . 1 1 59 59 THR C C 334 176.690 176.690 176.702 -0.012 17775 7585 1 13 . 1 1 59 59 THR CA C 334 66.430 66.430 67.117 -0.687 17775 7586 1 13 . 1 1 59 59 THR CB C 334 68.720 68.720 68.306 0.414 17775 7587 1 13 . 1 1 59 59 THR H H 334 7.940 7.940 7.658 0.282 17775 7588 1 13 . 1 1 60 60 LEU N N 335 123.040 123.040 121.316 1.724 17775 7589 1 13 . 1 1 60 60 LEU HA H 335 4.070 4.070 3.951 0.119 17775 7590 1 13 . 1 1 60 60 LEU C C 335 180.040 180.040 178.717 1.323 17775 7591 1 13 . 1 1 60 60 LEU CA C 335 57.690 57.690 57.854 -0.164 17775 7592 1 13 . 1 1 60 60 LEU CB C 335 41.810 41.810 41.491 0.319 17775 7593 1 13 . 1 1 60 60 LEU H H 335 7.860 7.860 7.810 0.050 17775 7594 1 13 . 1 1 61 61 LEU N N 336 121.600 121.600 120.283 1.317 17775 7595 1 13 . 1 1 61 61 LEU HA H 336 4.020 4.020 3.892 0.128 17775 7596 1 13 . 1 1 61 61 LEU C C 336 179.360 179.360 178.503 0.857 17775 7597 1 13 . 1 1 61 61 LEU CA C 336 57.900 57.900 58.244 -0.344 17775 7598 1 13 . 1 1 61 61 LEU CB C 336 41.970 41.970 41.851 0.119 17775 7599 1 13 . 1 1 61 61 LEU H H 336 8.180 8.180 8.024 0.156 17775 7600 1 13 . 1 1 62 62 MET N N 337 116.900 116.900 118.713 -1.813 17775 7601 1 13 . 1 1 62 62 MET HA H 337 4.110 4.110 3.830 0.280 17775 7602 1 13 . 1 1 62 62 MET C C 337 179.750 179.750 177.906 1.844 17775 7603 1 13 . 1 1 62 62 MET CA C 337 57.850 57.850 59.242 -1.392 17775 7604 1 13 . 1 1 62 62 MET CB C 337 32.200 32.200 32.476 -0.276 17775 7605 1 13 . 1 1 62 62 MET H H 337 8.160 8.160 7.685 0.475 17775 7606 1 13 . 1 1 63 63 ALA N N 338 122.990 122.990 120.365 2.625 17775 7607 1 13 . 1 1 63 63 ALA HA H 338 4.110 4.110 3.998 0.112 17775 7608 1 13 . 1 1 63 63 ALA C C 338 180.420 180.420 179.540 0.880 17775 7609 1 13 . 1 1 63 63 ALA CA C 338 55.270 55.270 55.274 -0.004 17775 7610 1 13 . 1 1 63 63 ALA CB C 338 17.960 17.960 18.028 -0.068 17775 7611 1 13 . 1 1 63 63 ALA H H 338 8.090 8.090 7.846 0.244 17775 7612 1 13 . 1 1 64 64 GLY N N 339 106.980 106.980 106.811 0.169 17775 7613 1 13 . 1 1 64 64 GLY C C 339 175.240 175.240 176.188 -0.948 17775 7614 1 13 . 1 1 64 64 GLY CA C 339 47.190 47.190 47.258 -0.068 17775 7615 1 13 . 1 1 64 64 GLY H H 339 8.070 8.070 8.017 0.053 17775 7616 1 13 . 1 1 65 65 VAL N N 340 120.660 120.660 122.024 -1.364 17775 7617 1 13 . 1 1 65 65 VAL HA H 340 3.780 3.780 3.625 0.155 17775 7618 1 13 . 1 1 65 65 VAL C C 340 176.960 176.960 178.115 -1.155 17775 7619 1 13 . 1 1 65 65 VAL CA C 340 65.620 65.620 65.617 0.003 17775 7620 1 13 . 1 1 65 65 VAL CB C 340 31.690 31.690 31.082 0.608 17775 7621 1 13 . 1 1 65 65 VAL H H 340 8.100 8.100 7.798 0.302 17775 7622 1 13 . 1 1 66 66 SER N N 341 112.150 112.150 115.356 -3.206 17775 7623 1 13 . 1 1 66 66 SER HA H 341 4.000 4.000 4.031 -0.031 17775 7624 1 13 . 1 1 66 66 SER C C 341 175.860 175.860 176.653 -0.793 17775 7625 1 13 . 1 1 66 66 SER CA C 341 61.240 61.240 61.979 -0.739 17775 7626 1 13 . 1 1 66 66 SER CB C 341 63.260 63.260 62.984 0.276 17775 7627 1 13 . 1 1 66 66 SER H H 341 7.810 7.810 7.681 0.129 17775 7628 1 13 . 1 1 67 67 HIS N N 342 118.910 118.910 121.274 -2.364 17775 7629 1 13 . 1 1 67 67 HIS HA H 342 4.440 4.440 4.209 0.231 17775 7630 1 13 . 1 1 67 67 HIS C C 342 177.780 177.780 177.990 -0.210 17775 7631 1 13 . 1 1 67 67 HIS CA C 342 59.160 59.160 59.382 -0.222 17775 7632 1 13 . 1 1 67 67 HIS CB C 342 30.400 30.400 30.164 0.236 17775 7633 1 13 . 1 1 67 67 HIS H H 342 7.830 7.830 7.852 -0.022 17775 7634 1 13 . 1 1 68 68 ASP N N 343 120.590 120.590 120.012 0.578 17775 7635 1 13 . 1 1 68 68 ASP HA H 343 4.440 4.440 4.279 0.161 17775 7636 1 13 . 1 1 68 68 ASP C C 343 178.470 178.470 178.921 -0.451 17775 7637 1 13 . 1 1 68 68 ASP CA C 343 57.500 57.500 57.170 0.330 17775 7638 1 13 . 1 1 68 68 ASP CB C 343 39.880 39.880 40.326 -0.446 17775 7639 1 13 . 1 1 68 68 ASP H H 343 8.580 8.580 8.050 0.530 17775 7640 1 13 . 1 1 69 69 LEU N N 344 117.900 117.900 119.881 -1.981 17775 7641 1 13 . 1 1 69 69 LEU HA H 344 4.190 4.190 3.959 0.231 17775 7642 1 13 . 1 1 69 69 LEU C C 344 177.010 177.010 178.306 -1.296 17775 7643 1 13 . 1 1 69 69 LEU CA C 344 56.810 56.810 57.372 -0.562 17775 7644 1 13 . 1 1 69 69 LEU CB C 344 43.300 43.300 41.528 1.772 17775 7645 1 13 . 1 1 69 69 LEU H H 344 8.300 8.300 7.897 0.403 17775 7646 1 13 . 1 1 70 70 ARG N N 345 114.380 114.380 118.958 -4.578 17775 7647 1 13 . 1 1 70 70 ARG HA H 345 3.930 3.930 3.898 0.032 17775 7648 1 13 . 1 1 70 70 ARG C C 345 178.840 178.840 178.285 0.555 17775 7649 1 13 . 1 1 70 70 ARG CA C 345 59.420 59.420 59.978 -0.558 17775 7650 1 13 . 1 1 70 70 ARG CB C 345 30.210 30.210 30.101 0.109 17775 7651 1 13 . 1 1 70 70 ARG H H 345 7.280 7.280 7.852 -0.572 17775 7652 1 13 . 1 1 71 71 THR N N 346 115.370 115.370 115.573 -0.203 17775 7653 1 13 . 1 1 71 71 THR HA H 346 4.060 4.060 4.155 -0.095 17775 7654 1 13 . 1 1 71 71 THR CA C 346 68.800 68.800 68.300 0.500 17775 7655 1 13 . 1 1 71 71 THR CB C 346 66.590 66.590 66.847 -0.257 17775 7656 1 13 . 1 1 71 71 THR H H 346 7.540 7.540 7.728 -0.188 17775 7657 1 13 . 1 1 72 72 PRO HA H 347 4.090 4.090 4.261 -0.171 17775 7658 1 13 . 1 1 72 72 PRO CA C 347 65.860 65.860 65.743 0.117 17775 7659 1 13 . 1 1 72 72 PRO CB C 347 31.380 31.380 31.302 0.078 17775 7660 1 13 . 1 1 73 73 LEU N N 348 114.830 114.830 118.948 -4.118 17775 7661 1 13 . 1 1 73 73 LEU HA H 348 3.950 3.950 3.885 0.065 17775 7662 1 13 . 1 1 73 73 LEU C C 348 179.120 179.120 179.031 0.089 17775 7663 1 13 . 1 1 73 73 LEU CA C 348 58.450 58.450 58.312 0.138 17775 7664 1 13 . 1 1 73 73 LEU CB C 348 41.320 41.320 41.325 -0.005 17775 7665 1 13 . 1 1 73 73 LEU H H 348 6.970 6.970 7.648 -0.678 17775 7666 1 13 . 1 1 74 74 THR N N 349 116.230 116.230 114.762 1.468 17775 7667 1 13 . 1 1 74 74 THR HA H 349 3.880 3.880 3.913 -0.033 17775 7668 1 13 . 1 1 74 74 THR C C 349 176.100 176.100 176.863 -0.763 17775 7669 1 13 . 1 1 74 74 THR CA C 349 66.760 66.760 66.709 0.051 17775 7670 1 13 . 1 1 74 74 THR CB C 349 68.770 68.770 68.510 0.260 17775 7671 1 13 . 1 1 74 74 THR H H 349 8.090 8.090 7.974 0.116 17775 7672 1 13 . 1 1 75 75 ARG N N 350 121.190 121.190 122.141 -0.951 17775 7673 1 13 . 1 1 75 75 ARG HA H 350 3.970 3.970 4.077 -0.107 17775 7674 1 13 . 1 1 75 75 ARG C C 350 180.130 180.130 178.671 1.459 17775 7675 1 13 . 1 1 75 75 ARG CA C 350 61.030 61.030 58.847 2.183 17775 7676 1 13 . 1 1 75 75 ARG CB C 350 31.080 31.080 29.614 1.466 17775 7677 1 13 . 1 1 75 75 ARG H H 350 7.570 7.570 7.654 -0.084 17775 7678 1 13 . 1 1 76 76 ILE N N 351 122.150 122.150 119.698 2.452 17775 7679 1 13 . 1 1 76 76 ILE HA H 351 3.700 3.700 3.640 0.060 17775 7680 1 13 . 1 1 76 76 ILE C C 351 177.070 177.070 178.276 -1.206 17775 7681 1 13 . 1 1 76 76 ILE CA C 351 65.560 65.560 65.108 0.452 17775 7682 1 13 . 1 1 76 76 ILE CB C 351 37.650 37.650 37.552 0.098 17775 7683 1 13 . 1 1 76 76 ILE H H 351 8.060 8.060 7.804 0.256 17775 7684 1 13 . 1 1 77 77 ARG N N 352 120.120 120.120 120.779 -0.659 17775 7685 1 13 . 1 1 77 77 ARG HA H 352 3.930 3.930 4.053 -0.123 17775 7686 1 13 . 1 1 77 77 ARG C C 352 179.580 179.580 178.737 0.843 17775 7687 1 13 . 1 1 77 77 ARG CA C 352 59.340 59.340 59.368 -0.028 17775 7688 1 13 . 1 1 77 77 ARG CB C 352 29.690 29.690 30.186 -0.496 17775 7689 1 13 . 1 1 77 77 ARG H H 352 7.700 7.700 7.672 0.028 17775 7690 1 13 . 1 1 78 78 LEU N N 353 119.970 119.970 119.291 0.679 17775 7691 1 13 . 1 1 78 78 LEU HA H 353 4.000 4.000 3.974 0.026 17775 7692 1 13 . 1 1 78 78 LEU C C 353 179.600 179.600 178.771 0.829 17775 7693 1 13 . 1 1 78 78 LEU CA C 353 57.910 57.910 57.631 0.279 17775 7694 1 13 . 1 1 78 78 LEU CB C 353 41.430 41.430 41.828 -0.398 17775 7695 1 13 . 1 1 78 78 LEU H H 353 8.260 8.260 7.722 0.538 17775 7696 1 13 . 1 1 79 79 ALA N N 354 122.390 122.390 120.481 1.909 17775 7697 1 13 . 1 1 79 79 ALA HA H 354 4.070 4.070 4.000 0.070 17775 7698 1 13 . 1 1 79 79 ALA C C 354 180.620 180.620 179.470 1.150 17775 7699 1 13 . 1 1 79 79 ALA CA C 354 55.270 55.270 55.309 -0.039 17775 7700 1 13 . 1 1 79 79 ALA CB C 354 18.030 18.030 18.449 -0.419 17775 7701 1 13 . 1 1 79 79 ALA H H 354 7.850 7.850 7.946 -0.096 17775 7702 1 13 . 1 1 80 80 THR N N 355 107.540 107.540 110.019 -2.479 17775 7703 1 13 . 1 1 80 80 THR HA H 355 3.990 3.990 4.046 -0.056 17775 7704 1 13 . 1 1 80 80 THR C C 355 177.250 177.250 175.723 1.527 17775 7705 1 13 . 1 1 80 80 THR CA C 355 64.970 64.970 64.847 0.123 17775 7706 1 13 . 1 1 80 80 THR CB C 355 69.020 69.020 68.552 0.468 17775 7707 1 13 . 1 1 80 80 THR H H 355 7.930 7.930 8.024 -0.094 17775 7708 1 13 . 1 1 81 81 GLU N N 356 120.380 120.380 118.448 1.932 17775 7709 1 13 . 1 1 81 81 GLU HA H 356 4.090 4.090 4.263 -0.173 17775 7710 1 13 . 1 1 81 81 GLU C C 356 177.280 177.280 177.459 -0.179 17775 7711 1 13 . 1 1 81 81 GLU CA C 356 58.020 58.020 57.641 0.380 17775 7712 1 13 . 1 1 81 81 GLU CB C 356 29.490 29.490 29.456 0.034 17775 7713 1 13 . 1 1 81 81 GLU H H 356 7.380 7.380 7.645 -0.265 17775 7714 1 13 . 1 1 82 82 MET N N 357 115.510 115.510 116.831 -1.321 17775 7715 1 13 . 1 1 82 82 MET HA H 357 4.480 4.480 4.313 0.167 17775 7716 1 13 . 1 1 82 82 MET C C 357 176.140 176.140 177.084 -0.944 17775 7717 1 13 . 1 1 82 82 MET CA C 357 54.810 54.810 56.167 -1.357 17775 7718 1 13 . 1 1 82 82 MET CB C 357 32.660 32.660 33.461 -0.801 17775 7719 1 13 . 1 1 82 82 MET H H 357 7.480 7.480 7.432 0.048 17775 7720 1 13 . 1 1 83 83 MET N N 358 119.530 119.530 117.589 1.941 17775 7721 1 13 . 1 1 83 83 MET HA H 358 4.020 4.020 4.291 -0.271 17775 7722 1 13 . 1 1 83 83 MET C C 358 175.670 175.670 176.120 -0.450 17775 7723 1 13 . 1 1 83 83 MET CA C 358 57.430 57.430 55.861 1.569 17775 7724 1 13 . 1 1 83 83 MET CB C 358 33.860 33.860 33.331 0.529 17775 7725 1 13 . 1 1 83 83 MET H H 358 7.010 7.010 7.453 -0.443 17775 7726 1 13 . 1 1 84 84 SER N N 359 119.110 119.110 117.862 1.248 17775 7727 1 13 . 1 1 84 84 SER HA H 359 4.300 4.300 4.548 -0.248 17775 7728 1 13 . 1 1 84 84 SER C C 359 176.160 176.160 175.337 0.823 17775 7729 1 13 . 1 1 84 84 SER CA C 359 59.170 59.170 57.547 1.623 17775 7730 1 13 . 1 1 84 84 SER CB C 359 64.540 64.540 64.885 -0.345 17775 7731 1 13 . 1 1 84 84 SER H H 359 9.630 9.630 8.117 1.513 17775 7732 1 13 . 1 1 85 85 GLU N N 360 124.090 124.090 120.869 3.221 17775 7733 1 13 . 1 1 85 85 GLU CA C 360 58.880 58.880 59.221 -0.341 17775 7734 1 13 . 1 1 85 85 GLU CB C 360 29.560 29.560 29.303 0.257 17775 7735 1 13 . 1 1 85 85 GLU H H 360 8.810 8.810 8.971 -0.161 17775 7736 1 13 . 1 1 86 86 GLN HA H 361 4.220 4.220 4.149 0.071 17775 7737 1 13 . 1 1 86 86 GLN C C 361 176.370 176.370 176.717 -0.347 17775 7738 1 13 . 1 1 86 86 GLN CA C 361 58.440 58.440 58.234 0.206 17775 7739 1 13 . 1 1 86 86 GLN CB C 361 28.290 28.290 28.739 -0.449 17775 7740 1 13 . 1 1 87 87 ASP N N 362 118.700 118.700 117.118 1.582 17775 7741 1 13 . 1 1 87 87 ASP HA H 362 5.070 5.070 4.558 0.512 17775 7742 1 13 . 1 1 87 87 ASP C C 362 176.740 176.740 176.710 0.030 17775 7743 1 13 . 1 1 87 87 ASP CA C 362 53.710 53.710 53.141 0.569 17775 7744 1 13 . 1 1 87 87 ASP CB C 362 40.980 40.980 40.974 0.006 17775 7745 1 13 . 1 1 87 87 ASP H H 362 7.640 7.640 7.542 0.098 17775 7746 1 13 . 1 1 88 88 GLY N N 363 110.410 110.410 109.017 1.393 17775 7747 1 13 . 1 1 88 88 GLY CA C 363 47.890 47.890 47.350 0.540 17775 7748 1 13 . 1 1 88 88 GLY H H 363 7.940 7.940 8.024 -0.084 17775 7749 1 13 . 1 1 89 89 TYR HA H 364 4.430 4.430 4.421 0.009 17775 7750 1 13 . 1 1 89 89 TYR C C 364 177.600 177.600 177.670 -0.070 17775 7751 1 13 . 1 1 89 89 TYR CA C 364 59.970 59.970 58.901 1.069 17775 7752 1 13 . 1 1 89 89 TYR CB C 364 37.100 37.100 36.927 0.173 17775 7753 1 13 . 1 1 89 89 TYR H H 364 8.470 8.470 8.079 0.391 17775 7754 1 13 . 1 1 90 90 LEU N N 365 124.000 124.000 120.002 3.998 17775 7755 1 13 . 1 1 90 90 LEU HA H 365 3.920 3.920 4.035 -0.115 17775 7756 1 13 . 1 1 90 90 LEU C C 365 178.180 178.180 178.945 -0.765 17775 7757 1 13 . 1 1 90 90 LEU CA C 365 57.050 57.050 56.663 0.387 17775 7758 1 13 . 1 1 90 90 LEU CB C 365 41.930 41.930 41.492 0.438 17775 7759 1 13 . 1 1 90 90 LEU H H 365 7.080 7.080 6.759 0.321 17775 7760 1 13 . 1 1 91 91 ALA N N 366 123.150 123.150 121.993 1.157 17775 7761 1 13 . 1 1 91 91 ALA HA H 366 3.790 3.790 3.968 -0.178 17775 7762 1 13 . 1 1 91 91 ALA C C 366 179.610 179.610 179.576 0.034 17775 7763 1 13 . 1 1 91 91 ALA CA C 366 55.910 55.910 54.811 1.099 17775 7764 1 13 . 1 1 91 91 ALA CB C 366 18.450 18.450 18.190 0.260 17775 7765 1 13 . 1 1 91 91 ALA H H 366 7.880 7.880 7.580 0.300 17775 7766 1 13 . 1 1 92 92 GLU N N 367 116.750 116.750 118.743 -1.993 17775 7767 1 13 . 1 1 92 92 GLU HA H 367 4.010 4.010 3.944 0.066 17775 7768 1 13 . 1 1 92 92 GLU C C 367 177.910 177.910 179.152 -1.242 17775 7769 1 13 . 1 1 92 92 GLU CA C 367 59.420 59.420 59.712 -0.292 17775 7770 1 13 . 1 1 92 92 GLU CB C 367 29.620 29.620 29.554 0.066 17775 7771 1 13 . 1 1 92 92 GLU H H 367 8.100 8.100 8.277 -0.177 17775 7772 1 13 . 1 1 93 93 SER N N 368 115.480 115.480 114.863 0.617 17775 7773 1 13 . 1 1 93 93 SER HA H 368 4.060 4.060 4.220 -0.160 17775 7774 1 13 . 1 1 93 93 SER C C 368 176.360 176.360 176.709 -0.349 17775 7775 1 13 . 1 1 93 93 SER CA C 368 61.610 61.610 61.646 -0.036 17775 7776 1 13 . 1 1 93 93 SER CB C 368 63.080 63.080 63.039 0.041 17775 7777 1 13 . 1 1 93 93 SER H H 368 7.520 7.520 7.542 -0.022 17775 7778 1 13 . 1 1 94 94 ILE N N 369 121.710 121.710 123.157 -1.447 17775 7779 1 13 . 1 1 94 94 ILE HA H 369 4.000 4.000 4.105 -0.105 17775 7780 1 13 . 1 1 94 94 ILE C C 369 178.000 178.000 178.012 -0.012 17775 7781 1 13 . 1 1 94 94 ILE CA C 369 65.470 65.470 64.542 0.928 17775 7782 1 13 . 1 1 94 94 ILE CB C 369 38.030 38.030 37.542 0.488 17775 7783 1 13 . 1 1 94 94 ILE H H 369 8.400 8.400 7.487 0.913 17775 7784 1 13 . 1 1 95 95 ASN N N 370 117.810 117.810 119.020 -1.210 17775 7785 1 13 . 1 1 95 95 ASN HA H 370 4.290 4.290 4.428 -0.138 17775 7786 1 13 . 1 1 95 95 ASN C C 370 179.730 179.730 177.729 2.001 17775 7787 1 13 . 1 1 95 95 ASN CA C 370 57.340 57.340 56.020 1.320 17775 7788 1 13 . 1 1 95 95 ASN CB C 370 38.280 38.280 37.857 0.423 17775 7789 1 13 . 1 1 95 95 ASN H H 370 8.270 8.270 8.319 -0.049 17775 7790 1 13 . 1 1 96 96 LYS N N 371 121.220 121.220 119.815 1.405 17775 7791 1 13 . 1 1 96 96 LYS HA H 371 4.090 4.090 4.104 -0.014 17775 7792 1 13 . 1 1 96 96 LYS C C 371 179.250 179.250 178.806 0.444 17775 7793 1 13 . 1 1 96 96 LYS CA C 371 59.650 59.650 59.017 0.633 17775 7794 1 13 . 1 1 96 96 LYS CB C 371 31.730 31.730 31.880 -0.150 17775 7795 1 13 . 1 1 96 96 LYS H H 371 7.960 7.960 7.869 0.091 17775 7796 1 13 . 1 1 97 97 ASP N N 372 122.870 122.870 120.270 2.600 17775 7797 1 13 . 1 1 97 97 ASP HA H 372 4.060 4.060 4.466 -0.406 17775 7798 1 13 . 1 1 97 97 ASP C C 372 179.300 179.300 178.792 0.508 17775 7799 1 13 . 1 1 97 97 ASP CA C 372 58.400 58.400 57.264 1.136 17775 7800 1 13 . 1 1 97 97 ASP CB C 372 41.130 41.130 40.409 0.721 17775 7801 1 13 . 1 1 97 97 ASP H H 372 7.920 7.920 7.703 0.217 17775 7802 1 13 . 1 1 98 98 ILE N N 373 123.090 123.090 120.343 2.747 17775 7803 1 13 . 1 1 98 98 ILE HA H 373 3.620 3.620 3.634 -0.014 17775 7804 1 13 . 1 1 98 98 ILE C C 373 178.330 178.330 177.764 0.566 17775 7805 1 13 . 1 1 98 98 ILE CA C 373 65.080 65.080 65.402 -0.322 17775 7806 1 13 . 1 1 98 98 ILE CB C 373 37.260 37.260 37.842 -0.582 17775 7807 1 13 . 1 1 98 98 ILE H H 373 8.720 8.720 7.793 0.927 17775 7808 1 13 . 1 1 99 99 GLU N N 374 120.550 120.550 120.140 0.410 17775 7809 1 13 . 1 1 99 99 GLU HA H 374 4.120 4.120 3.896 0.224 17775 7810 1 13 . 1 1 99 99 GLU C C 374 179.740 179.740 178.586 1.154 17775 7811 1 13 . 1 1 99 99 GLU CA C 374 59.570 59.570 59.956 -0.386 17775 7812 1 13 . 1 1 99 99 GLU CB C 374 28.910 28.910 29.397 -0.487 17775 7813 1 13 . 1 1 99 99 GLU H H 374 8.100 8.100 7.887 0.213 17775 7814 1 13 . 1 1 100 100 GLU N N 375 122.040 122.040 119.818 2.222 17775 7815 1 13 . 1 1 100 100 GLU HA H 375 4.140 4.140 4.054 0.086 17775 7816 1 13 . 1 1 100 100 GLU C C 375 178.810 178.810 178.888 -0.078 17775 7817 1 13 . 1 1 100 100 GLU CA C 375 59.830 59.830 59.386 0.444 17775 7818 1 13 . 1 1 100 100 GLU CB C 375 29.220 29.220 29.630 -0.409 17775 7819 1 13 . 1 1 100 100 GLU H H 375 8.060 8.060 7.881 0.179 17775 7820 1 13 . 1 1 101 101 CYS N N 376 117.330 117.330 117.658 -0.328 17775 7821 1 13 . 1 1 101 101 CYS HA H 376 3.960 3.960 4.033 -0.073 17775 7822 1 13 . 1 1 101 101 CYS C C 376 176.540 176.540 176.981 -0.441 17775 7823 1 13 . 1 1 101 101 CYS CA C 376 64.510 64.510 64.232 0.278 17775 7824 1 13 . 1 1 101 101 CYS CB C 376 27.270 27.270 27.569 -0.299 17775 7825 1 13 . 1 1 101 101 CYS H H 376 8.130 8.130 8.028 0.102 17775 7826 1 13 . 1 1 102 102 ASN N N 377 117.140 117.140 118.168 -1.028 17775 7827 1 13 . 1 1 102 102 ASN HA H 377 4.290 4.290 4.416 -0.126 17775 7828 1 13 . 1 1 102 102 ASN C C 377 176.980 176.980 176.947 0.033 17775 7829 1 13 . 1 1 102 102 ASN CA C 377 56.460 56.460 56.404 0.056 17775 7830 1 13 . 1 1 102 102 ASN CB C 377 38.440 38.440 38.374 0.066 17775 7831 1 13 . 1 1 102 102 ASN H H 377 8.430 8.430 7.992 0.438 17775 7832 1 13 . 1 1 103 103 ALA N N 378 123.350 123.350 122.863 0.487 17775 7833 1 13 . 1 1 103 103 ALA HA H 378 4.130 4.130 4.063 0.067 17775 7834 1 13 . 1 1 103 103 ALA C C 378 180.510 180.510 179.658 0.852 17775 7835 1 13 . 1 1 103 103 ALA CA C 378 55.120 55.120 55.029 0.091 17775 7836 1 13 . 1 1 103 103 ALA CB C 378 17.960 17.960 18.605 -0.645 17775 7837 1 13 . 1 1 103 103 ALA H H 378 8.130 8.130 7.767 0.363 17775 7838 1 13 . 1 1 104 104 ILE N N 379 120.880 120.880 119.181 1.699 17775 7839 1 13 . 1 1 104 104 ILE HA H 379 3.680 3.680 3.618 0.062 17775 7840 1 13 . 1 1 104 104 ILE C C 379 178.260 178.260 178.152 0.108 17775 7841 1 13 . 1 1 104 104 ILE CA C 379 64.860 64.860 65.775 -0.915 17775 7842 1 13 . 1 1 104 104 ILE CB C 379 38.080 38.080 38.008 0.072 17775 7843 1 13 . 1 1 104 104 ILE H H 379 8.010 8.010 7.702 0.308 17775 7844 1 13 . 1 1 105 105 ILE N N 380 119.970 119.970 119.921 0.049 17775 7845 1 13 . 1 1 105 105 ILE HA H 380 3.430 3.430 3.801 -0.371 17775 7846 1 13 . 1 1 105 105 ILE C C 380 177.660 177.660 178.159 -0.499 17775 7847 1 13 . 1 1 105 105 ILE CA C 380 65.490 65.490 65.689 -0.199 17775 7848 1 13 . 1 1 105 105 ILE CB C 380 38.060 38.060 37.640 0.420 17775 7849 1 13 . 1 1 105 105 ILE H H 380 8.060 8.060 7.797 0.263 17775 7850 1 13 . 1 1 106 106 GLU N N 381 118.640 118.640 120.254 -1.614 17775 7851 1 13 . 1 1 106 106 GLU HA H 381 3.970 3.970 3.877 0.093 17775 7852 1 13 . 1 1 106 106 GLU C C 381 178.440 178.440 178.484 -0.044 17775 7853 1 13 . 1 1 106 106 GLU CA C 381 59.260 59.260 59.938 -0.678 17775 7854 1 13 . 1 1 106 106 GLU CB C 381 29.570 29.570 29.516 0.054 17775 7855 1 13 . 1 1 106 106 GLU H H 381 8.140 8.140 8.074 0.066 17775 7856 1 13 . 1 1 107 107 GLN N N 382 117.770 117.770 119.318 -1.548 17775 7857 1 13 . 1 1 107 107 GLN HA H 382 4.040 4.040 4.021 0.019 17775 7858 1 13 . 1 1 107 107 GLN C C 382 177.550 177.550 178.403 -0.853 17775 7859 1 13 . 1 1 107 107 GLN CA C 382 58.170 58.170 58.879 -0.709 17775 7860 1 13 . 1 1 107 107 GLN CB C 382 28.770 28.770 28.475 0.295 17775 7861 1 13 . 1 1 107 107 GLN H H 382 7.710 7.710 7.772 -0.062 17775 7862 1 13 . 1 1 108 108 PHE N N 383 118.750 118.750 118.765 -0.015 17775 7863 1 13 . 1 1 108 108 PHE HA H 383 4.490 4.490 4.238 0.252 17775 7864 1 13 . 1 1 108 108 PHE C C 383 176.570 176.570 178.169 -1.599 17775 7865 1 13 . 1 1 108 108 PHE CA C 383 59.360 59.360 62.506 -3.146 17775 7866 1 13 . 1 1 108 108 PHE CB C 383 38.760 38.760 38.870 -0.110 17775 7867 1 13 . 1 1 108 108 PHE H H 383 7.880 7.880 7.715 0.165 17775 7868 1 13 . 1 1 109 109 ILE N N 384 118.200 118.200 119.426 -1.226 17775 7869 1 13 . 1 1 109 109 ILE HA H 384 3.720 3.720 3.788 -0.068 17775 7870 1 13 . 1 1 109 109 ILE C C 384 177.450 177.450 177.090 0.360 17775 7871 1 13 . 1 1 109 109 ILE CA C 384 64.280 64.280 65.040 -0.760 17775 7872 1 13 . 1 1 109 109 ILE CB C 384 37.870 37.870 37.905 -0.035 17775 7873 1 13 . 1 1 109 109 ILE H H 384 7.950 7.950 7.798 0.152 17775 7874 1 13 . 1 1 110 110 ASP N N 385 119.750 119.750 117.979 1.771 17775 7875 1 13 . 1 1 110 110 ASP HA H 385 4.440 4.440 4.405 0.035 17775 7876 1 13 . 1 1 110 110 ASP C C 385 177.620 177.620 177.859 -0.239 17775 7877 1 13 . 1 1 110 110 ASP CA C 385 56.500 56.500 56.692 -0.192 17775 7878 1 13 . 1 1 110 110 ASP CB C 385 40.860 40.860 41.068 -0.208 17775 7879 1 13 . 1 1 110 110 ASP H H 385 7.840 7.840 7.985 -0.145 17775 7880 1 13 . 1 1 111 111 TYR N N 386 118.370 118.370 119.768 -1.398 17775 7881 1 13 . 1 1 111 111 TYR HA H 386 4.430 4.430 4.278 0.152 17775 7882 1 13 . 1 1 111 111 TYR C C 386 176.320 176.320 176.122 0.198 17775 7883 1 13 . 1 1 111 111 TYR CA C 386 58.940 58.940 59.996 -1.056 17775 7884 1 13 . 1 1 111 111 TYR CB C 386 38.440 38.440 39.323 -0.883 17775 7885 1 13 . 1 1 111 111 TYR H H 386 7.760 7.760 7.840 -0.080 17775 7886 1 13 . 1 1 112 112 LEU N N 387 119.730 119.730 119.603 0.127 17775 7887 1 13 . 1 1 112 112 LEU HA H 387 4.230 4.230 4.214 0.016 17775 7888 1 13 . 1 1 112 112 LEU C C 387 175.900 175.900 176.058 -0.158 17775 7889 1 13 . 1 1 112 112 LEU CA C 387 55.090 55.090 54.386 0.704 17775 7890 1 13 . 1 1 112 112 LEU CB C 387 42.670 42.670 42.687 -0.017 17775 7891 1 13 . 1 1 112 112 LEU H H 387 7.660 7.660 7.604 0.056 17775 7892 1 14 . 1 1 5 5 ILE HA H 280 4.190 4.190 3.977 0.213 17775 7893 1 14 . 1 1 5 5 ILE CA C 280 61.650 61.650 62.428 -0.778 17775 7894 1 14 . 1 1 5 5 ILE CB C 280 38.520 38.520 37.070 1.450 17775 7895 1 14 . 1 1 6 6 THR HA H 281 4.340 4.340 3.963 0.377 17775 7896 1 14 . 1 1 6 6 THR CA C 281 62.680 62.680 66.984 -4.304 17775 7897 1 14 . 1 1 6 6 THR CB C 281 69.630 69.630 68.494 1.136 17775 7898 1 14 . 1 1 8 8 PRO HA H 283 4.230 4.230 4.407 -0.177 17775 7899 1 14 . 1 1 8 8 PRO CA C 283 65.940 65.940 65.758 0.182 17775 7900 1 14 . 1 1 8 8 PRO CB C 283 30.730 30.730 30.795 -0.065 17775 7901 1 14 . 1 1 9 9 ILE N N 284 115.670 115.670 118.283 -2.613 17775 7902 1 14 . 1 1 9 9 ILE HA H 284 3.420 3.420 3.854 -0.434 17775 7903 1 14 . 1 1 9 9 ILE C C 284 177.820 177.820 178.208 -0.388 17775 7904 1 14 . 1 1 9 9 ILE CA C 284 65.540 65.540 64.080 1.460 17775 7905 1 14 . 1 1 9 9 ILE CB C 284 36.810 36.810 36.739 0.071 17775 7906 1 14 . 1 1 9 9 ILE H H 284 7.300 7.300 7.369 -0.069 17775 7907 1 14 . 1 1 10 10 ILE N N 285 121.880 121.880 121.139 0.741 17775 7908 1 14 . 1 1 10 10 ILE HA H 285 3.800 3.800 3.793 0.007 17775 7909 1 14 . 1 1 10 10 ILE C C 285 177.690 177.690 179.088 -1.398 17775 7910 1 14 . 1 1 10 10 ILE CA C 285 62.880 62.880 63.002 -0.122 17775 7911 1 14 . 1 1 10 10 ILE CB C 285 36.560 36.560 36.365 0.195 17775 7912 1 14 . 1 1 10 10 ILE H H 285 7.880 7.880 7.728 0.152 17775 7913 1 14 . 1 1 11 11 GLU N N 286 120.580 120.580 120.165 0.415 17775 7914 1 14 . 1 1 11 11 GLU HA H 286 4.080 4.080 4.019 0.061 17775 7915 1 14 . 1 1 11 11 GLU C C 286 180.980 180.980 179.630 1.350 17775 7916 1 14 . 1 1 11 11 GLU CA C 286 59.630 59.630 59.898 -0.268 17775 7917 1 14 . 1 1 11 11 GLU CB C 286 29.550 29.550 29.743 -0.193 17775 7918 1 14 . 1 1 11 11 GLU H H 286 8.450 8.450 8.244 0.206 17775 7919 1 14 . 1 1 12 12 LEU N N 287 121.340 121.340 119.835 1.505 17775 7920 1 14 . 1 1 12 12 LEU HA H 287 4.010 4.010 4.059 -0.049 17775 7921 1 14 . 1 1 12 12 LEU C C 287 178.030 178.030 178.877 -0.847 17775 7922 1 14 . 1 1 12 12 LEU CA C 287 58.310 58.310 58.156 0.154 17775 7923 1 14 . 1 1 12 12 LEU CB C 287 42.050 42.050 42.030 0.020 17775 7924 1 14 . 1 1 12 12 LEU H H 287 8.490 8.490 8.045 0.445 17775 7925 1 14 . 1 1 13 13 SER N N 288 117.590 117.590 115.103 2.487 17775 7926 1 14 . 1 1 13 13 SER HA H 288 4.190 4.190 4.031 0.159 17775 7927 1 14 . 1 1 13 13 SER C C 288 175.660 175.660 176.978 -1.318 17775 7928 1 14 . 1 1 13 13 SER CA C 288 61.670 61.670 61.739 -0.069 17775 7929 1 14 . 1 1 13 13 SER CB C 288 62.490 62.490 62.923 -0.433 17775 7930 1 14 . 1 1 13 13 SER H H 288 8.330 8.330 8.250 0.080 17775 7931 1 14 . 1 1 14 14 ASN N N 289 119.150 119.150 120.827 -1.677 17775 7932 1 14 . 1 1 14 14 ASN HA H 289 4.450 4.450 4.527 -0.077 17775 7933 1 14 . 1 1 14 14 ASN C C 289 178.480 178.480 177.860 0.620 17775 7934 1 14 . 1 1 14 14 ASN CA C 289 55.870 55.870 55.974 -0.104 17775 7935 1 14 . 1 1 14 14 ASN CB C 289 38.090 38.090 38.358 -0.268 17775 7936 1 14 . 1 1 14 14 ASN H H 289 8.650 8.650 8.207 0.443 17775 7937 1 14 . 1 1 15 15 THR N N 290 117.650 117.650 117.026 0.624 17775 7938 1 14 . 1 1 15 15 THR HA H 290 3.830 3.830 3.974 -0.144 17775 7939 1 14 . 1 1 15 15 THR C C 290 175.030 175.030 176.044 -1.014 17775 7940 1 14 . 1 1 15 15 THR CA C 290 67.790 67.790 66.803 0.987 17775 7941 1 14 . 1 1 15 15 THR CB C 290 68.660 68.660 68.750 -0.090 17775 7942 1 14 . 1 1 15 15 THR H H 290 8.040 8.040 7.993 0.047 17775 7943 1 14 . 1 1 16 16 ALA N N 291 124.470 124.470 124.427 0.043 17775 7944 1 14 . 1 1 16 16 ALA HA H 291 3.850 3.850 3.917 -0.067 17775 7945 1 14 . 1 1 16 16 ALA C C 291 178.470 178.470 179.143 -0.673 17775 7946 1 14 . 1 1 16 16 ALA CA C 291 55.430 55.430 55.337 0.093 17775 7947 1 14 . 1 1 16 16 ALA CB C 291 17.820 17.820 18.191 -0.371 17775 7948 1 14 . 1 1 16 16 ALA H H 291 8.530 8.530 7.974 0.556 17775 7949 1 14 . 1 1 17 17 ASP N N 292 117.560 117.560 118.904 -1.344 17775 7950 1 14 . 1 1 17 17 ASP HA H 292 4.360 4.360 4.357 0.003 17775 7951 1 14 . 1 1 17 17 ASP C C 292 178.420 178.420 178.877 -0.457 17775 7952 1 14 . 1 1 17 17 ASP CA C 292 57.430 57.430 57.424 0.006 17775 7953 1 14 . 1 1 17 17 ASP CB C 292 40.130 40.130 40.473 -0.343 17775 7954 1 14 . 1 1 17 17 ASP H H 292 8.290 8.290 7.966 0.324 17775 7955 1 14 . 1 1 18 18 LYS N N 293 119.100 119.100 119.879 -0.779 17775 7956 1 14 . 1 1 18 18 LYS HA H 293 4.010 4.010 4.185 -0.175 17775 7957 1 14 . 1 1 18 18 LYS C C 293 180.170 180.170 179.122 1.048 17775 7958 1 14 . 1 1 18 18 LYS CA C 293 59.020 59.020 59.466 -0.446 17775 7959 1 14 . 1 1 18 18 LYS CB C 293 32.270 32.270 32.469 -0.199 17775 7960 1 14 . 1 1 18 18 LYS H H 293 7.690 7.690 7.518 0.172 17775 7961 1 14 . 1 1 19 19 ILE N N 294 122.510 122.510 119.980 2.530 17775 7962 1 14 . 1 1 19 19 ILE HA H 294 3.690 3.690 4.066 -0.376 17775 7963 1 14 . 1 1 19 19 ILE C C 294 178.920 178.920 178.727 0.193 17775 7964 1 14 . 1 1 19 19 ILE CA C 294 64.400 64.400 64.826 -0.426 17775 7965 1 14 . 1 1 19 19 ILE CB C 294 38.320 38.320 37.924 0.396 17775 7966 1 14 . 1 1 19 19 ILE H H 294 8.220 8.220 7.686 0.534 17775 7967 1 14 . 1 1 20 20 ALA N N 295 123.270 123.270 121.946 1.324 17775 7968 1 14 . 1 1 20 20 ALA HA H 295 3.850 3.850 4.078 -0.228 17775 7969 1 14 . 1 1 20 20 ALA C C 295 179.390 179.390 178.937 0.453 17775 7970 1 14 . 1 1 20 20 ALA CA C 295 55.370 55.370 54.802 0.568 17775 7971 1 14 . 1 1 20 20 ALA CB C 295 17.880 17.880 18.380 -0.500 17775 7972 1 14 . 1 1 20 20 ALA H H 295 8.580 8.580 7.800 0.780 17775 7973 1 14 . 1 1 21 21 GLU N N 296 115.530 115.530 116.429 -0.899 17775 7974 1 14 . 1 1 21 21 GLU HA H 296 4.160 4.160 4.193 -0.033 17775 7975 1 14 . 1 1 21 21 GLU C C 296 176.560 176.560 177.589 -1.029 17775 7976 1 14 . 1 1 21 21 GLU CA C 296 56.400 56.400 56.271 0.129 17775 7977 1 14 . 1 1 21 21 GLU CB C 296 29.830 29.830 29.584 0.246 17775 7978 1 14 . 1 1 21 21 GLU H H 296 7.680 7.680 7.777 -0.097 17775 7979 1 14 . 1 1 22 22 GLY N N 297 105.910 105.910 108.052 -2.142 17775 7980 1 14 . 1 1 22 22 GLY C C 297 174.160 174.160 174.378 -0.218 17775 7981 1 14 . 1 1 22 22 GLY CA C 297 45.040 45.040 44.645 0.395 17775 7982 1 14 . 1 1 22 22 GLY H H 297 7.820 7.820 7.981 -0.161 17775 7983 1 14 . 1 1 23 23 ASN N N 298 120.260 120.260 121.498 -1.238 17775 7984 1 14 . 1 1 23 23 ASN HA H 298 4.960 4.960 4.960 -0.000 17775 7985 1 14 . 1 1 23 23 ASN C C 298 174.560 174.560 176.040 -1.480 17775 7986 1 14 . 1 1 23 23 ASN CA C 298 51.800 51.800 52.175 -0.375 17775 7987 1 14 . 1 1 23 23 ASN CB C 298 36.750 36.750 37.673 -0.923 17775 7988 1 14 . 1 1 23 23 ASN H H 298 8.070 8.070 8.097 -0.027 17775 7989 1 14 . 1 1 24 24 LEU N N 299 119.750 119.750 122.634 -2.884 17775 7990 1 14 . 1 1 24 24 LEU HA H 299 3.950 3.950 4.030 -0.080 17775 7991 1 14 . 1 1 24 24 LEU C C 299 176.390 176.390 178.249 -1.859 17775 7992 1 14 . 1 1 24 24 LEU CA C 299 56.250 56.250 57.741 -1.491 17775 7993 1 14 . 1 1 24 24 LEU CB C 299 41.260 41.260 41.664 -0.404 17775 7994 1 14 . 1 1 24 24 LEU H H 299 7.850 7.850 7.550 0.300 17775 7995 1 14 . 1 1 25 25 GLU N N 300 114.210 114.210 117.366 -3.156 17775 7996 1 14 . 1 1 25 25 GLU HA H 300 4.230 4.230 4.223 0.007 17775 7997 1 14 . 1 1 25 25 GLU C C 300 176.050 176.050 176.124 -0.074 17775 7998 1 14 . 1 1 25 25 GLU CA C 300 55.640 55.640 56.290 -0.650 17775 7999 1 14 . 1 1 25 25 GLU CB C 300 29.410 29.410 29.367 0.043 17775 8000 1 14 . 1 1 25 25 GLU H H 300 7.840 7.840 8.500 -0.660 17775 8001 1 14 . 1 1 26 26 ALA N N 301 124.010 124.010 124.235 -0.225 17775 8002 1 14 . 1 1 26 26 ALA HA H 301 3.880 3.880 4.150 -0.270 17775 8003 1 14 . 1 1 26 26 ALA C C 301 175.390 175.390 176.914 -1.524 17775 8004 1 14 . 1 1 26 26 ALA CA C 301 52.890 52.890 52.519 0.371 17775 8005 1 14 . 1 1 26 26 ALA CB C 301 18.570 18.570 19.180 -0.610 17775 8006 1 14 . 1 1 26 26 ALA H H 301 6.770 6.770 7.283 -0.513 17775 8007 1 14 . 1 1 27 27 GLU N N 302 120.120 120.120 121.776 -1.656 17775 8008 1 14 . 1 1 27 27 GLU HA H 302 4.080 4.080 4.218 -0.138 17775 8009 1 14 . 1 1 27 27 GLU C C 302 176.510 176.510 176.164 0.346 17775 8010 1 14 . 1 1 27 27 GLU CA C 302 55.150 55.150 55.688 -0.538 17775 8011 1 14 . 1 1 27 27 GLU CB C 302 30.160 30.160 30.643 -0.483 17775 8012 1 14 . 1 1 27 27 GLU H H 302 7.880 7.880 8.317 -0.437 17775 8013 1 14 . 1 1 28 28 VAL N N 303 129.020 129.020 126.612 2.408 17775 8014 1 14 . 1 1 28 28 VAL HA H 303 4.230 4.230 4.262 -0.032 17775 8015 1 14 . 1 1 28 28 VAL CA C 303 60.440 60.440 60.803 -0.363 17775 8016 1 14 . 1 1 28 28 VAL CB C 303 31.760 31.760 31.848 -0.088 17775 8017 1 14 . 1 1 28 28 VAL H H 303 8.890 8.890 8.141 0.749 17775 8018 1 14 . 1 1 29 29 PRO HA H 304 4.400 4.400 4.558 -0.158 17775 8019 1 14 . 1 1 29 29 PRO CA C 304 62.790 62.790 62.285 0.505 17775 8020 1 14 . 1 1 29 29 PRO CB C 304 32.120 32.120 32.704 -0.584 17775 8021 1 14 . 1 1 30 30 HIS N N 305 103.640 103.640 112.732 -9.092 17775 8022 1 14 . 1 1 30 30 HIS HA H 305 4.210 4.210 4.201 0.009 17775 8023 1 14 . 1 1 30 30 HIS C C 305 175.590 175.590 176.947 -1.357 17775 8024 1 14 . 1 1 30 30 HIS CA C 305 57.950 57.950 57.470 0.480 17775 8025 1 14 . 1 1 30 30 HIS CB C 305 27.910 27.910 27.449 0.461 17775 8026 1 14 . 1 1 30 30 HIS H H 305 7.780 7.780 8.320 -0.540 17775 8027 1 14 . 1 1 31 31 GLN N N 306 114.840 114.840 117.766 -2.926 17775 8028 1 14 . 1 1 31 31 GLN HA H 306 3.990 3.990 4.038 -0.048 17775 8029 1 14 . 1 1 31 31 GLN C C 306 176.290 176.290 176.819 -0.529 17775 8030 1 14 . 1 1 31 31 GLN CA C 306 58.680 58.680 59.066 -0.386 17775 8031 1 14 . 1 1 31 31 GLN CB C 306 30.630 30.630 28.932 1.698 17775 8032 1 14 . 1 1 31 31 GLN H H 306 8.010 8.010 8.315 -0.305 17775 8033 1 14 . 1 1 32 32 ASN N N 307 113.230 113.230 115.027 -1.797 17775 8034 1 14 . 1 1 32 32 ASN HA H 307 4.640 4.640 4.622 0.018 17775 8035 1 14 . 1 1 32 32 ASN C C 307 175.610 175.610 175.329 0.281 17775 8036 1 14 . 1 1 32 32 ASN CA C 307 52.800 52.800 53.702 -0.902 17775 8037 1 14 . 1 1 32 32 ASN CB C 307 37.630 37.630 38.388 -0.758 17775 8038 1 14 . 1 1 32 32 ASN H H 307 8.360 8.360 8.353 0.007 17775 8039 1 14 . 1 1 33 33 ARG N N 308 119.580 119.580 121.026 -1.446 17775 8040 1 14 . 1 1 33 33 ARG HA H 308 4.140 4.140 4.287 -0.147 17775 8041 1 14 . 1 1 33 33 ARG CA C 308 56.950 56.950 56.823 0.127 17775 8042 1 14 . 1 1 33 33 ARG CB C 308 33.030 33.030 30.983 2.047 17775 8043 1 14 . 1 1 33 33 ARG H H 308 7.160 7.160 7.431 -0.271 17775 8044 1 14 . 1 1 34 34 ALA HA H 309 4.530 4.530 4.289 0.241 17775 8045 1 14 . 1 1 34 34 ALA C C 309 176.610 176.610 177.043 -0.433 17775 8046 1 14 . 1 1 34 34 ALA CA C 309 51.650 51.650 52.626 -0.976 17775 8047 1 14 . 1 1 34 34 ALA CB C 309 18.830 18.830 19.197 -0.367 17775 8048 1 14 . 1 1 35 35 ASP N N 310 117.680 117.680 118.977 -1.297 17775 8049 1 14 . 1 1 35 35 ASP HA H 310 4.660 4.660 4.643 0.017 17775 8050 1 14 . 1 1 35 35 ASP C C 310 176.740 176.740 177.103 -0.363 17775 8051 1 14 . 1 1 35 35 ASP CA C 310 52.240 52.240 52.992 -0.752 17775 8052 1 14 . 1 1 35 35 ASP CB C 310 41.580 41.580 40.654 0.926 17775 8053 1 14 . 1 1 35 35 ASP H H 310 7.460 7.460 7.706 -0.246 17775 8054 1 14 . 1 1 36 36 GLU N N 311 118.110 118.110 117.362 0.748 17775 8055 1 14 . 1 1 36 36 GLU HA H 311 3.870 3.870 4.061 -0.191 17775 8056 1 14 . 1 1 36 36 GLU C C 311 177.440 177.440 178.471 -1.031 17775 8057 1 14 . 1 1 36 36 GLU CA C 311 60.460 60.460 59.866 0.594 17775 8058 1 14 . 1 1 36 36 GLU CB C 311 27.660 27.660 29.406 -1.746 17775 8059 1 14 . 1 1 36 36 GLU H H 311 9.910 9.910 8.648 1.262 17775 8060 1 14 . 1 1 37 37 ILE N N 312 118.790 118.790 119.372 -0.582 17775 8061 1 14 . 1 1 37 37 ILE HA H 312 3.570 3.570 3.865 -0.295 17775 8062 1 14 . 1 1 37 37 ILE C C 312 177.460 177.460 178.166 -0.706 17775 8063 1 14 . 1 1 37 37 ILE CA C 312 63.170 63.170 62.837 0.333 17775 8064 1 14 . 1 1 37 37 ILE CB C 312 35.770 35.770 36.650 -0.880 17775 8065 1 14 . 1 1 37 37 ILE H H 312 7.420 7.420 7.634 -0.214 17775 8066 1 14 . 1 1 38 38 GLY N N 313 108.320 108.320 109.188 -0.868 17775 8067 1 14 . 1 1 38 38 GLY C C 313 176.200 176.200 176.132 0.068 17775 8068 1 14 . 1 1 38 38 GLY CA C 313 47.090 47.090 47.352 -0.263 17775 8069 1 14 . 1 1 38 38 GLY H H 313 7.510 7.510 7.926 -0.416 17775 8070 1 14 . 1 1 39 39 ILE N N 314 121.890 121.890 122.622 -0.732 17775 8071 1 14 . 1 1 39 39 ILE HA H 314 3.630 3.630 3.695 -0.065 17775 8072 1 14 . 1 1 39 39 ILE C C 314 179.070 179.070 177.619 1.451 17775 8073 1 14 . 1 1 39 39 ILE CA C 314 64.750 64.750 65.121 -0.371 17775 8074 1 14 . 1 1 39 39 ILE CB C 314 37.610 37.610 37.992 -0.382 17775 8075 1 14 . 1 1 39 39 ILE H H 314 7.390 7.390 7.731 -0.341 17775 8076 1 14 . 1 1 40 40 LEU N N 315 121.370 121.370 121.467 -0.097 17775 8077 1 14 . 1 1 40 40 LEU HA H 315 4.120 4.120 4.072 0.048 17775 8078 1 14 . 1 1 40 40 LEU C C 315 178.560 178.560 178.197 0.363 17775 8079 1 14 . 1 1 40 40 LEU CA C 315 57.620 57.620 57.848 -0.228 17775 8080 1 14 . 1 1 40 40 LEU CB C 315 41.490 41.490 41.637 -0.147 17775 8081 1 14 . 1 1 40 40 LEU H H 315 7.770 7.770 7.760 0.010 17775 8082 1 14 . 1 1 41 41 ALA N N 316 123.480 123.480 121.837 1.643 17775 8083 1 14 . 1 1 41 41 ALA HA H 316 3.840 3.840 3.954 -0.114 17775 8084 1 14 . 1 1 41 41 ALA C C 316 179.700 179.700 179.651 0.049 17775 8085 1 14 . 1 1 41 41 ALA CA C 316 56.180 56.180 55.481 0.699 17775 8086 1 14 . 1 1 41 41 ALA CB C 316 19.870 19.870 18.413 1.457 17775 8087 1 14 . 1 1 41 41 ALA H H 316 9.020 9.020 7.913 1.107 17775 8088 1 14 . 1 1 42 42 LYS N N 317 116.890 116.890 118.455 -1.565 17775 8089 1 14 . 1 1 42 42 LYS HA H 317 3.900 3.900 4.016 -0.116 17775 8090 1 14 . 1 1 42 42 LYS C C 317 179.730 179.730 179.178 0.552 17775 8091 1 14 . 1 1 42 42 LYS CA C 317 60.430 60.430 59.402 1.028 17775 8092 1 14 . 1 1 42 42 LYS H H 317 8.320 8.320 7.994 0.326 17775 8093 1 14 . 1 1 43 43 SER N N 318 119.130 119.130 115.704 3.426 17775 8094 1 14 . 1 1 43 43 SER HA H 318 4.340 4.340 4.194 0.146 17775 8095 1 14 . 1 1 43 43 SER C C 318 177.430 177.430 176.770 0.660 17775 8096 1 14 . 1 1 43 43 SER CA C 318 62.630 62.630 61.565 1.065 17775 8097 1 14 . 1 1 43 43 SER CB C 318 63.050 63.050 63.024 0.026 17775 8098 1 14 . 1 1 43 43 SER H H 318 8.060 8.060 7.946 0.114 17775 8099 1 14 . 1 1 44 44 ILE N N 319 124.020 124.020 123.044 0.976 17775 8100 1 14 . 1 1 44 44 ILE HA H 319 3.640 3.640 3.683 -0.043 17775 8101 1 14 . 1 1 44 44 ILE C C 319 177.190 177.190 177.856 -0.666 17775 8102 1 14 . 1 1 44 44 ILE CA C 319 65.020 65.020 65.048 -0.028 17775 8103 1 14 . 1 1 44 44 ILE CB C 319 36.790 36.790 37.654 -0.864 17775 8104 1 14 . 1 1 44 44 ILE H H 319 8.250 8.250 7.778 0.472 17775 8105 1 14 . 1 1 45 45 GLU N N 320 123.090 123.090 120.736 2.354 17775 8106 1 14 . 1 1 45 45 GLU HA H 320 4.600 4.600 3.954 0.646 17775 8107 1 14 . 1 1 45 45 GLU C C 320 178.190 178.190 178.641 -0.451 17775 8108 1 14 . 1 1 45 45 GLU CA C 320 58.430 58.430 59.447 -1.017 17775 8109 1 14 . 1 1 45 45 GLU CB C 320 27.700 27.700 29.215 -1.515 17775 8110 1 14 . 1 1 45 45 GLU H H 320 8.390 8.390 8.024 0.366 17775 8111 1 14 . 1 1 46 46 ARG N N 321 119.760 119.760 119.212 0.548 17775 8112 1 14 . 1 1 46 46 ARG HA H 321 3.930 3.930 4.049 -0.119 17775 8113 1 14 . 1 1 46 46 ARG C C 321 179.950 179.950 179.042 0.908 17775 8114 1 14 . 1 1 46 46 ARG CA C 321 60.440 60.440 59.367 1.073 17775 8115 1 14 . 1 1 46 46 ARG CB C 321 29.770 29.770 30.146 -0.376 17775 8116 1 14 . 1 1 46 46 ARG H H 321 8.000 8.000 7.795 0.205 17775 8117 1 14 . 1 1 47 47 LEU N N 322 121.360 121.360 119.532 1.828 17775 8118 1 14 . 1 1 47 47 LEU HA H 322 4.020 4.020 4.049 -0.029 17775 8119 1 14 . 1 1 47 47 LEU C C 322 178.040 178.040 179.028 -0.988 17775 8120 1 14 . 1 1 47 47 LEU CA C 322 58.550 58.550 57.841 0.709 17775 8121 1 14 . 1 1 47 47 LEU CB C 322 41.650 41.650 41.568 0.082 17775 8122 1 14 . 1 1 47 47 LEU H H 322 7.870 7.870 7.892 -0.022 17775 8123 1 14 . 1 1 48 48 ARG N N 323 121.390 121.390 119.235 2.155 17775 8124 1 14 . 1 1 48 48 ARG HA H 323 3.690 3.690 3.918 -0.228 17775 8125 1 14 . 1 1 48 48 ARG C C 323 178.120 178.120 178.337 -0.217 17775 8126 1 14 . 1 1 48 48 ARG CA C 323 60.630 60.630 59.678 0.952 17775 8127 1 14 . 1 1 48 48 ARG CB C 323 30.230 30.230 29.939 0.291 17775 8128 1 14 . 1 1 48 48 ARG H H 323 8.730 8.730 7.937 0.793 17775 8129 1 14 . 1 1 49 49 ARG N N 324 116.720 116.720 119.055 -2.335 17775 8130 1 14 . 1 1 49 49 ARG HA H 324 3.840 3.840 3.988 -0.148 17775 8131 1 14 . 1 1 49 49 ARG C C 324 179.060 179.060 178.429 0.631 17775 8132 1 14 . 1 1 49 49 ARG CA C 324 59.930 59.930 59.866 0.064 17775 8133 1 14 . 1 1 49 49 ARG CB C 324 29.830 29.830 30.125 -0.295 17775 8134 1 14 . 1 1 49 49 ARG H H 324 8.550 8.550 8.054 0.496 17775 8135 1 14 . 1 1 50 50 SER N N 325 117.600 117.600 116.122 1.478 17775 8136 1 14 . 1 1 50 50 SER HA H 325 4.120 4.120 4.192 -0.072 17775 8137 1 14 . 1 1 50 50 SER C C 325 176.050 176.050 176.913 -0.863 17775 8138 1 14 . 1 1 50 50 SER CA C 325 62.630 62.630 62.310 0.320 17775 8139 1 14 . 1 1 50 50 SER CB C 325 62.950 62.950 62.758 0.192 17775 8140 1 14 . 1 1 50 50 SER H H 325 8.170 8.170 7.815 0.355 17775 8141 1 14 . 1 1 51 51 LEU N N 326 123.730 123.730 122.254 1.476 17775 8142 1 14 . 1 1 51 51 LEU HA H 326 3.990 3.990 3.975 0.015 17775 8143 1 14 . 1 1 51 51 LEU C C 326 177.380 177.380 178.567 -1.187 17775 8144 1 14 . 1 1 51 51 LEU CA C 326 58.580 58.580 57.964 0.616 17775 8145 1 14 . 1 1 51 51 LEU CB C 326 42.190 42.190 41.578 0.612 17775 8146 1 14 . 1 1 51 51 LEU H H 326 8.190 8.190 7.855 0.335 17775 8147 1 14 . 1 1 52 52 LYS N N 327 119.170 119.170 119.060 0.110 17775 8148 1 14 . 1 1 52 52 LYS HA H 327 3.860 3.860 3.857 0.003 17775 8149 1 14 . 1 1 52 52 LYS C C 327 179.050 179.050 178.931 0.119 17775 8150 1 14 . 1 1 52 52 LYS CA C 327 59.700 59.700 59.667 0.033 17775 8151 1 14 . 1 1 52 52 LYS CB C 327 32.020 32.020 32.322 -0.302 17775 8152 1 14 . 1 1 52 52 LYS H H 327 8.580 8.580 7.987 0.593 17775 8153 1 14 . 1 1 53 53 GLN N N 328 118.180 118.180 118.476 -0.296 17775 8154 1 14 . 1 1 53 53 GLN HA H 328 4.080 4.080 4.085 -0.005 17775 8155 1 14 . 1 1 53 53 GLN C C 328 177.960 177.960 178.777 -0.817 17775 8156 1 14 . 1 1 53 53 GLN CA C 328 58.690 58.690 58.765 -0.075 17775 8157 1 14 . 1 1 53 53 GLN CB C 328 28.450 28.450 28.623 -0.173 17775 8158 1 14 . 1 1 53 53 GLN H H 328 8.080 8.080 7.934 0.146 17775 8159 1 14 . 1 1 54 54 LEU N N 329 118.740 118.740 120.072 -1.332 17775 8160 1 14 . 1 1 54 54 LEU HA H 329 4.150 4.150 4.060 0.090 17775 8161 1 14 . 1 1 54 54 LEU C C 329 179.580 179.580 179.120 0.460 17775 8162 1 14 . 1 1 54 54 LEU CA C 329 58.080 58.080 57.831 0.249 17775 8163 1 14 . 1 1 54 54 LEU CB C 329 42.620 42.620 41.705 0.915 17775 8164 1 14 . 1 1 54 54 LEU H H 329 7.680 7.680 8.011 -0.331 17775 8165 1 14 . 1 1 55 55 ALA N N 330 123.330 123.330 122.115 1.215 17775 8166 1 14 . 1 1 55 55 ALA HA H 330 4.050 4.050 3.917 0.133 17775 8167 1 14 . 1 1 55 55 ALA C C 330 180.530 180.530 179.402 1.128 17775 8168 1 14 . 1 1 55 55 ALA CA C 330 55.630 55.630 55.482 0.148 17775 8169 1 14 . 1 1 55 55 ALA CB C 330 18.320 18.320 18.011 0.309 17775 8170 1 14 . 1 1 55 55 ALA H H 330 8.390 8.390 7.987 0.403 17775 8171 1 14 . 1 1 56 56 ASP N N 331 121.350 121.350 118.901 2.449 17775 8172 1 14 . 1 1 56 56 ASP HA H 331 4.420 4.420 4.334 0.086 17775 8173 1 14 . 1 1 56 56 ASP C C 331 179.100 179.100 178.437 0.663 17775 8174 1 14 . 1 1 56 56 ASP CA C 331 57.430 57.430 57.300 0.130 17775 8175 1 14 . 1 1 56 56 ASP CB C 331 39.630 39.630 40.082 -0.452 17775 8176 1 14 . 1 1 56 56 ASP H H 331 8.820 8.820 8.010 0.810 17775 8177 1 14 . 1 1 57 57 ASP N N 332 121.570 121.570 120.283 1.287 17775 8178 1 14 . 1 1 57 57 ASP HA H 332 4.490 4.490 4.357 0.133 17775 8179 1 14 . 1 1 57 57 ASP C C 332 179.080 179.080 178.710 0.370 17775 8180 1 14 . 1 1 57 57 ASP CA C 332 57.380 57.380 57.147 0.233 17775 8181 1 14 . 1 1 57 57 ASP CB C 332 40.440 40.440 40.507 -0.067 17775 8182 1 14 . 1 1 57 57 ASP H H 332 8.420 8.420 8.208 0.212 17775 8183 1 14 . 1 1 58 58 ARG N N 333 120.250 120.250 120.182 0.068 17775 8184 1 14 . 1 1 58 58 ARG HA H 333 3.940 3.940 4.053 -0.113 17775 8185 1 14 . 1 1 58 58 ARG C C 333 177.770 177.770 178.600 -0.830 17775 8186 1 14 . 1 1 58 58 ARG CA C 333 58.790 58.790 59.135 -0.345 17775 8187 1 14 . 1 1 58 58 ARG CB C 333 30.300 30.300 30.042 0.258 17775 8188 1 14 . 1 1 58 58 ARG H H 333 7.900 7.900 7.811 0.089 17775 8189 1 14 . 1 1 59 59 THR N N 334 115.160 115.160 116.406 -1.246 17775 8190 1 14 . 1 1 59 59 THR HA H 334 3.960 3.960 4.042 -0.082 17775 8191 1 14 . 1 1 59 59 THR C C 334 176.690 176.690 176.645 0.045 17775 8192 1 14 . 1 1 59 59 THR CA C 334 66.430 66.430 67.082 -0.652 17775 8193 1 14 . 1 1 59 59 THR CB C 334 68.720 68.720 68.602 0.118 17775 8194 1 14 . 1 1 59 59 THR H H 334 7.940 7.940 7.600 0.340 17775 8195 1 14 . 1 1 60 60 LEU N N 335 123.040 123.040 121.586 1.454 17775 8196 1 14 . 1 1 60 60 LEU HA H 335 4.070 4.070 3.979 0.091 17775 8197 1 14 . 1 1 60 60 LEU C C 335 180.040 180.040 178.936 1.104 17775 8198 1 14 . 1 1 60 60 LEU CA C 335 57.690 57.690 57.692 -0.002 17775 8199 1 14 . 1 1 60 60 LEU CB C 335 41.810 41.810 41.564 0.246 17775 8200 1 14 . 1 1 60 60 LEU H H 335 7.860 7.860 7.804 0.056 17775 8201 1 14 . 1 1 61 61 LEU N N 336 121.600 121.600 120.479 1.121 17775 8202 1 14 . 1 1 61 61 LEU HA H 336 4.020 4.020 3.882 0.138 17775 8203 1 14 . 1 1 61 61 LEU C C 336 179.360 179.360 178.453 0.907 17775 8204 1 14 . 1 1 61 61 LEU CA C 336 57.900 57.900 58.305 -0.405 17775 8205 1 14 . 1 1 61 61 LEU CB C 336 41.970 41.970 41.879 0.091 17775 8206 1 14 . 1 1 61 61 LEU H H 336 8.180 8.180 8.078 0.102 17775 8207 1 14 . 1 1 62 62 MET N N 337 116.900 116.900 118.692 -1.792 17775 8208 1 14 . 1 1 62 62 MET HA H 337 4.110 4.110 3.901 0.209 17775 8209 1 14 . 1 1 62 62 MET C C 337 179.750 179.750 177.943 1.807 17775 8210 1 14 . 1 1 62 62 MET CA C 337 57.850 57.850 59.281 -1.431 17775 8211 1 14 . 1 1 62 62 MET CB C 337 32.200 32.200 32.509 -0.309 17775 8212 1 14 . 1 1 62 62 MET H H 337 8.160 8.160 7.692 0.468 17775 8213 1 14 . 1 1 63 63 ALA N N 338 122.990 122.990 120.543 2.447 17775 8214 1 14 . 1 1 63 63 ALA HA H 338 4.110 4.110 4.018 0.092 17775 8215 1 14 . 1 1 63 63 ALA C C 338 180.420 180.420 179.572 0.848 17775 8216 1 14 . 1 1 63 63 ALA CA C 338 55.270 55.270 55.365 -0.095 17775 8217 1 14 . 1 1 63 63 ALA CB C 338 17.960 17.960 18.020 -0.060 17775 8218 1 14 . 1 1 63 63 ALA H H 338 8.090 8.090 7.808 0.282 17775 8219 1 14 . 1 1 64 64 GLY N N 339 106.980 106.980 106.899 0.081 17775 8220 1 14 . 1 1 64 64 GLY C C 339 175.240 175.240 176.299 -1.059 17775 8221 1 14 . 1 1 64 64 GLY CA C 339 47.190 47.190 47.239 -0.049 17775 8222 1 14 . 1 1 64 64 GLY H H 339 8.070 8.070 7.973 0.097 17775 8223 1 14 . 1 1 65 65 VAL N N 340 120.660 120.660 122.303 -1.643 17775 8224 1 14 . 1 1 65 65 VAL HA H 340 3.780 3.780 3.633 0.147 17775 8225 1 14 . 1 1 65 65 VAL C C 340 176.960 176.960 178.146 -1.186 17775 8226 1 14 . 1 1 65 65 VAL CA C 340 65.620 65.620 66.303 -0.683 17775 8227 1 14 . 1 1 65 65 VAL CB C 340 31.690 31.690 31.060 0.630 17775 8228 1 14 . 1 1 65 65 VAL H H 340 8.100 8.100 7.800 0.300 17775 8229 1 14 . 1 1 66 66 SER N N 341 112.150 112.150 115.331 -3.181 17775 8230 1 14 . 1 1 66 66 SER HA H 341 4.000 4.000 4.048 -0.048 17775 8231 1 14 . 1 1 66 66 SER C C 341 175.860 175.860 176.689 -0.829 17775 8232 1 14 . 1 1 66 66 SER CA C 341 61.240 61.240 61.957 -0.717 17775 8233 1 14 . 1 1 66 66 SER CB C 341 63.260 63.260 62.961 0.299 17775 8234 1 14 . 1 1 66 66 SER H H 341 7.810 7.810 7.870 -0.060 17775 8235 1 14 . 1 1 67 67 HIS N N 342 118.910 118.910 121.369 -2.459 17775 8236 1 14 . 1 1 67 67 HIS HA H 342 4.440 4.440 4.251 0.189 17775 8237 1 14 . 1 1 67 67 HIS C C 342 177.780 177.780 177.972 -0.192 17775 8238 1 14 . 1 1 67 67 HIS CA C 342 59.160 59.160 59.979 -0.819 17775 8239 1 14 . 1 1 67 67 HIS CB C 342 30.400 30.400 30.077 0.323 17775 8240 1 14 . 1 1 67 67 HIS H H 342 7.830 7.830 7.901 -0.071 17775 8241 1 14 . 1 1 68 68 ASP N N 343 120.590 120.590 119.912 0.678 17775 8242 1 14 . 1 1 68 68 ASP HA H 343 4.440 4.440 4.447 -0.007 17775 8243 1 14 . 1 1 68 68 ASP C C 343 178.470 178.470 178.988 -0.518 17775 8244 1 14 . 1 1 68 68 ASP CA C 343 57.500 57.500 57.230 0.270 17775 8245 1 14 . 1 1 68 68 ASP CB C 343 39.880 39.880 40.428 -0.548 17775 8246 1 14 . 1 1 68 68 ASP H H 343 8.580 8.580 8.052 0.528 17775 8247 1 14 . 1 1 69 69 LEU N N 344 117.900 117.900 119.992 -2.092 17775 8248 1 14 . 1 1 69 69 LEU HA H 344 4.190 4.190 3.993 0.197 17775 8249 1 14 . 1 1 69 69 LEU C C 344 177.010 177.010 178.331 -1.321 17775 8250 1 14 . 1 1 69 69 LEU CA C 344 56.810 56.810 57.317 -0.507 17775 8251 1 14 . 1 1 69 69 LEU CB C 344 43.300 43.300 41.499 1.801 17775 8252 1 14 . 1 1 69 69 LEU H H 344 8.300 8.300 7.958 0.342 17775 8253 1 14 . 1 1 70 70 ARG N N 345 114.380 114.380 118.280 -3.900 17775 8254 1 14 . 1 1 70 70 ARG HA H 345 3.930 3.930 3.910 0.020 17775 8255 1 14 . 1 1 70 70 ARG C C 345 178.840 178.840 178.283 0.557 17775 8256 1 14 . 1 1 70 70 ARG CA C 345 59.420 59.420 59.762 -0.342 17775 8257 1 14 . 1 1 70 70 ARG CB C 345 30.210 30.210 29.983 0.227 17775 8258 1 14 . 1 1 70 70 ARG H H 345 7.280 7.280 7.804 -0.524 17775 8259 1 14 . 1 1 71 71 THR N N 346 115.370 115.370 115.149 0.221 17775 8260 1 14 . 1 1 71 71 THR HA H 346 4.060 4.060 4.139 -0.079 17775 8261 1 14 . 1 1 71 71 THR CA C 346 68.800 68.800 68.546 0.254 17775 8262 1 14 . 1 1 71 71 THR CB C 346 66.590 66.590 66.319 0.271 17775 8263 1 14 . 1 1 71 71 THR H H 346 7.540 7.540 7.670 -0.130 17775 8264 1 14 . 1 1 72 72 PRO HA H 347 4.090 4.090 4.265 -0.175 17775 8265 1 14 . 1 1 72 72 PRO CA C 347 65.860 65.860 65.842 0.018 17775 8266 1 14 . 1 1 72 72 PRO CB C 347 31.380 31.380 31.260 0.120 17775 8267 1 14 . 1 1 73 73 LEU N N 348 114.830 114.830 118.891 -4.061 17775 8268 1 14 . 1 1 73 73 LEU HA H 348 3.950 3.950 3.893 0.057 17775 8269 1 14 . 1 1 73 73 LEU C C 348 179.120 179.120 179.000 0.120 17775 8270 1 14 . 1 1 73 73 LEU CA C 348 58.450 58.450 58.329 0.121 17775 8271 1 14 . 1 1 73 73 LEU CB C 348 41.320 41.320 41.289 0.031 17775 8272 1 14 . 1 1 73 73 LEU H H 348 6.970 6.970 7.604 -0.634 17775 8273 1 14 . 1 1 74 74 THR N N 349 116.230 116.230 114.585 1.645 17775 8274 1 14 . 1 1 74 74 THR HA H 349 3.880 3.880 3.906 -0.026 17775 8275 1 14 . 1 1 74 74 THR C C 349 176.100 176.100 176.753 -0.653 17775 8276 1 14 . 1 1 74 74 THR CA C 349 66.760 66.760 66.685 0.075 17775 8277 1 14 . 1 1 74 74 THR CB C 349 68.770 68.770 68.290 0.480 17775 8278 1 14 . 1 1 74 74 THR H H 349 8.090 8.090 7.977 0.113 17775 8279 1 14 . 1 1 75 75 ARG N N 350 121.190 121.190 122.278 -1.088 17775 8280 1 14 . 1 1 75 75 ARG HA H 350 3.970 3.970 4.035 -0.065 17775 8281 1 14 . 1 1 75 75 ARG C C 350 180.130 180.130 178.714 1.416 17775 8282 1 14 . 1 1 75 75 ARG CA C 350 61.030 61.030 59.596 1.434 17775 8283 1 14 . 1 1 75 75 ARG CB C 350 31.080 31.080 30.024 1.056 17775 8284 1 14 . 1 1 75 75 ARG H H 350 7.570 7.570 7.625 -0.055 17775 8285 1 14 . 1 1 76 76 ILE N N 351 122.150 122.150 119.574 2.576 17775 8286 1 14 . 1 1 76 76 ILE HA H 351 3.700 3.700 3.616 0.084 17775 8287 1 14 . 1 1 76 76 ILE C C 351 177.070 177.070 177.797 -0.727 17775 8288 1 14 . 1 1 76 76 ILE CA C 351 65.560 65.560 65.188 0.372 17775 8289 1 14 . 1 1 76 76 ILE CB C 351 37.650 37.650 37.585 0.065 17775 8290 1 14 . 1 1 76 76 ILE H H 351 8.060 8.060 7.862 0.198 17775 8291 1 14 . 1 1 77 77 ARG N N 352 120.120 120.120 120.621 -0.501 17775 8292 1 14 . 1 1 77 77 ARG HA H 352 3.930 3.930 4.030 -0.100 17775 8293 1 14 . 1 1 77 77 ARG C C 352 179.580 179.580 178.986 0.594 17775 8294 1 14 . 1 1 77 77 ARG CA C 352 59.340 59.340 59.576 -0.236 17775 8295 1 14 . 1 1 77 77 ARG CB C 352 29.690 29.690 30.228 -0.538 17775 8296 1 14 . 1 1 77 77 ARG H H 352 7.700 7.700 7.715 -0.015 17775 8297 1 14 . 1 1 78 78 LEU N N 353 119.970 119.970 119.223 0.747 17775 8298 1 14 . 1 1 78 78 LEU HA H 353 4.000 4.000 3.981 0.019 17775 8299 1 14 . 1 1 78 78 LEU C C 353 179.600 179.600 178.783 0.817 17775 8300 1 14 . 1 1 78 78 LEU CA C 353 57.910 57.910 58.193 -0.283 17775 8301 1 14 . 1 1 78 78 LEU CB C 353 41.430 41.430 41.765 -0.335 17775 8302 1 14 . 1 1 78 78 LEU H H 353 8.260 8.260 7.782 0.478 17775 8303 1 14 . 1 1 79 79 ALA N N 354 122.390 122.390 120.612 1.778 17775 8304 1 14 . 1 1 79 79 ALA HA H 354 4.070 4.070 3.999 0.071 17775 8305 1 14 . 1 1 79 79 ALA C C 354 180.620 180.620 179.387 1.233 17775 8306 1 14 . 1 1 79 79 ALA CA C 354 55.270 55.270 55.116 0.154 17775 8307 1 14 . 1 1 79 79 ALA CB C 354 18.030 18.030 18.470 -0.440 17775 8308 1 14 . 1 1 79 79 ALA H H 354 7.850 7.850 7.855 -0.005 17775 8309 1 14 . 1 1 80 80 THR N N 355 107.540 107.540 110.630 -3.090 17775 8310 1 14 . 1 1 80 80 THR HA H 355 3.990 3.990 4.061 -0.071 17775 8311 1 14 . 1 1 80 80 THR C C 355 177.250 177.250 176.745 0.505 17775 8312 1 14 . 1 1 80 80 THR CA C 355 64.970 64.970 65.200 -0.230 17775 8313 1 14 . 1 1 80 80 THR CB C 355 69.020 69.020 68.485 0.535 17775 8314 1 14 . 1 1 80 80 THR H H 355 7.930 7.930 8.021 -0.091 17775 8315 1 14 . 1 1 81 81 GLU N N 356 120.380 120.380 120.110 0.270 17775 8316 1 14 . 1 1 81 81 GLU HA H 356 4.090 4.090 4.255 -0.165 17775 8317 1 14 . 1 1 81 81 GLU C C 356 177.280 177.280 177.440 -0.160 17775 8318 1 14 . 1 1 81 81 GLU CA C 356 58.020 58.020 57.957 0.063 17775 8319 1 14 . 1 1 81 81 GLU CB C 356 29.490 29.490 29.342 0.148 17775 8320 1 14 . 1 1 81 81 GLU H H 356 7.380 7.380 7.624 -0.244 17775 8321 1 14 . 1 1 82 82 MET N N 357 115.510 115.510 116.790 -1.280 17775 8322 1 14 . 1 1 82 82 MET HA H 357 4.480 4.480 4.311 0.169 17775 8323 1 14 . 1 1 82 82 MET C C 357 176.140 176.140 176.451 -0.311 17775 8324 1 14 . 1 1 82 82 MET CA C 357 54.810 54.810 55.893 -1.083 17775 8325 1 14 . 1 1 82 82 MET CB C 357 32.660 32.660 33.466 -0.806 17775 8326 1 14 . 1 1 82 82 MET H H 357 7.480 7.480 7.326 0.154 17775 8327 1 14 . 1 1 83 83 MET N N 358 119.530 119.530 118.504 1.026 17775 8328 1 14 . 1 1 83 83 MET HA H 358 4.020 4.020 4.280 -0.260 17775 8329 1 14 . 1 1 83 83 MET C C 358 175.670 175.670 176.487 -0.817 17775 8330 1 14 . 1 1 83 83 MET CA C 358 57.430 57.430 55.720 1.710 17775 8331 1 14 . 1 1 83 83 MET CB C 358 33.860 33.860 33.081 0.779 17775 8332 1 14 . 1 1 83 83 MET H H 358 7.010 7.010 7.367 -0.357 17775 8333 1 14 . 1 1 84 84 SER N N 359 119.110 119.110 118.403 0.707 17775 8334 1 14 . 1 1 84 84 SER HA H 359 4.300 4.300 4.546 -0.246 17775 8335 1 14 . 1 1 84 84 SER C C 359 176.160 176.160 175.391 0.769 17775 8336 1 14 . 1 1 84 84 SER CA C 359 59.170 59.170 57.833 1.337 17775 8337 1 14 . 1 1 84 84 SER CB C 359 64.540 64.540 64.656 -0.116 17775 8338 1 14 . 1 1 84 84 SER H H 359 9.630 9.630 8.311 1.319 17775 8339 1 14 . 1 1 85 85 GLU N N 360 124.090 124.090 121.031 3.059 17775 8340 1 14 . 1 1 85 85 GLU CA C 360 58.880 58.880 59.055 -0.175 17775 8341 1 14 . 1 1 85 85 GLU CB C 360 29.560 29.560 29.372 0.188 17775 8342 1 14 . 1 1 85 85 GLU H H 360 8.810 8.810 8.926 -0.116 17775 8343 1 14 . 1 1 86 86 GLN HA H 361 4.220 4.220 4.194 0.026 17775 8344 1 14 . 1 1 86 86 GLN C C 361 176.370 176.370 177.131 -0.761 17775 8345 1 14 . 1 1 86 86 GLN CA C 361 58.440 58.440 58.019 0.421 17775 8346 1 14 . 1 1 86 86 GLN CB C 361 28.290 28.290 28.566 -0.276 17775 8347 1 14 . 1 1 87 87 ASP N N 362 118.700 118.700 118.289 0.411 17775 8348 1 14 . 1 1 87 87 ASP HA H 362 5.070 5.070 4.509 0.561 17775 8349 1 14 . 1 1 87 87 ASP C C 362 176.740 176.740 176.328 0.412 17775 8350 1 14 . 1 1 87 87 ASP CA C 362 53.710 53.710 53.160 0.550 17775 8351 1 14 . 1 1 87 87 ASP CB C 362 40.980 40.980 41.057 -0.077 17775 8352 1 14 . 1 1 87 87 ASP H H 362 7.640 7.640 7.557 0.083 17775 8353 1 14 . 1 1 88 88 GLY N N 363 110.410 110.410 109.149 1.261 17775 8354 1 14 . 1 1 88 88 GLY CA C 363 47.890 47.890 47.446 0.444 17775 8355 1 14 . 1 1 88 88 GLY H H 363 7.940 7.940 7.959 -0.019 17775 8356 1 14 . 1 1 89 89 TYR HA H 364 4.430 4.430 4.507 -0.077 17775 8357 1 14 . 1 1 89 89 TYR C C 364 177.600 177.600 177.895 -0.295 17775 8358 1 14 . 1 1 89 89 TYR CA C 364 59.970 59.970 59.021 0.949 17775 8359 1 14 . 1 1 89 89 TYR CB C 364 37.100 37.100 36.842 0.258 17775 8360 1 14 . 1 1 89 89 TYR H H 364 8.470 8.470 8.184 0.286 17775 8361 1 14 . 1 1 90 90 LEU N N 365 124.000 124.000 119.887 4.113 17775 8362 1 14 . 1 1 90 90 LEU HA H 365 3.920 3.920 3.942 -0.022 17775 8363 1 14 . 1 1 90 90 LEU C C 365 178.180 178.180 178.650 -0.470 17775 8364 1 14 . 1 1 90 90 LEU CA C 365 57.050 57.050 56.602 0.447 17775 8365 1 14 . 1 1 90 90 LEU CB C 365 41.930 41.930 41.021 0.909 17775 8366 1 14 . 1 1 90 90 LEU H H 365 7.080 7.080 7.060 0.020 17775 8367 1 14 . 1 1 91 91 ALA N N 366 123.150 123.150 122.257 0.893 17775 8368 1 14 . 1 1 91 91 ALA HA H 366 3.790 3.790 3.980 -0.190 17775 8369 1 14 . 1 1 91 91 ALA C C 366 179.610 179.610 179.606 0.004 17775 8370 1 14 . 1 1 91 91 ALA CA C 366 55.910 55.910 54.766 1.144 17775 8371 1 14 . 1 1 91 91 ALA CB C 366 18.450 18.450 18.280 0.170 17775 8372 1 14 . 1 1 91 91 ALA H H 366 7.880 7.880 7.765 0.115 17775 8373 1 14 . 1 1 92 92 GLU N N 367 116.750 116.750 117.892 -1.142 17775 8374 1 14 . 1 1 92 92 GLU HA H 367 4.010 4.010 3.958 0.052 17775 8375 1 14 . 1 1 92 92 GLU C C 367 177.910 177.910 178.925 -1.015 17775 8376 1 14 . 1 1 92 92 GLU CA C 367 59.420 59.420 59.488 -0.068 17775 8377 1 14 . 1 1 92 92 GLU CB C 367 29.620 29.620 29.343 0.277 17775 8378 1 14 . 1 1 92 92 GLU H H 367 8.100 8.100 8.323 -0.223 17775 8379 1 14 . 1 1 93 93 SER N N 368 115.480 115.480 115.188 0.292 17775 8380 1 14 . 1 1 93 93 SER HA H 368 4.060 4.060 4.207 -0.147 17775 8381 1 14 . 1 1 93 93 SER C C 368 176.360 176.360 176.525 -0.165 17775 8382 1 14 . 1 1 93 93 SER CA C 368 61.610 61.610 61.310 0.300 17775 8383 1 14 . 1 1 93 93 SER CB C 368 63.080 63.080 62.776 0.304 17775 8384 1 14 . 1 1 93 93 SER H H 368 7.520 7.520 7.398 0.122 17775 8385 1 14 . 1 1 94 94 ILE N N 369 121.710 121.710 121.797 -0.087 17775 8386 1 14 . 1 1 94 94 ILE HA H 369 4.000 4.000 3.989 0.011 17775 8387 1 14 . 1 1 94 94 ILE C C 369 178.000 178.000 178.013 -0.013 17775 8388 1 14 . 1 1 94 94 ILE CA C 369 65.470 65.470 64.795 0.675 17775 8389 1 14 . 1 1 94 94 ILE CB C 369 38.030 38.030 37.593 0.437 17775 8390 1 14 . 1 1 94 94 ILE H H 369 8.400 8.400 7.467 0.933 17775 8391 1 14 . 1 1 95 95 ASN N N 370 117.810 117.810 118.665 -0.855 17775 8392 1 14 . 1 1 95 95 ASN HA H 370 4.290 4.290 4.391 -0.101 17775 8393 1 14 . 1 1 95 95 ASN C C 370 179.730 179.730 177.456 2.274 17775 8394 1 14 . 1 1 95 95 ASN CA C 370 57.340 57.340 56.383 0.957 17775 8395 1 14 . 1 1 95 95 ASN CB C 370 38.280 38.280 38.038 0.242 17775 8396 1 14 . 1 1 95 95 ASN H H 370 8.270 8.270 8.164 0.106 17775 8397 1 14 . 1 1 96 96 LYS N N 371 121.220 121.220 121.033 0.187 17775 8398 1 14 . 1 1 96 96 LYS HA H 371 4.090 4.090 4.003 0.087 17775 8399 1 14 . 1 1 96 96 LYS C C 371 179.250 179.250 178.415 0.835 17775 8400 1 14 . 1 1 96 96 LYS CA C 371 59.650 59.650 59.533 0.117 17775 8401 1 14 . 1 1 96 96 LYS CB C 371 31.730 31.730 32.401 -0.671 17775 8402 1 14 . 1 1 96 96 LYS H H 371 7.960 7.960 7.926 0.034 17775 8403 1 14 . 1 1 97 97 ASP N N 372 122.870 122.870 119.723 3.147 17775 8404 1 14 . 1 1 97 97 ASP HA H 372 4.060 4.060 4.429 -0.369 17775 8405 1 14 . 1 1 97 97 ASP C C 372 179.300 179.300 178.881 0.419 17775 8406 1 14 . 1 1 97 97 ASP CA C 372 58.400 58.400 57.504 0.896 17775 8407 1 14 . 1 1 97 97 ASP CB C 372 41.130 41.130 40.499 0.631 17775 8408 1 14 . 1 1 97 97 ASP H H 372 7.920 7.920 7.728 0.192 17775 8409 1 14 . 1 1 98 98 ILE N N 373 123.090 123.090 120.237 2.853 17775 8410 1 14 . 1 1 98 98 ILE HA H 373 3.620 3.620 3.656 -0.036 17775 8411 1 14 . 1 1 98 98 ILE C C 373 178.330 178.330 177.676 0.654 17775 8412 1 14 . 1 1 98 98 ILE CA C 373 65.080 65.080 65.553 -0.473 17775 8413 1 14 . 1 1 98 98 ILE CB C 373 37.260 37.260 37.739 -0.479 17775 8414 1 14 . 1 1 98 98 ILE H H 373 8.720 8.720 7.832 0.888 17775 8415 1 14 . 1 1 99 99 GLU N N 374 120.550 120.550 120.197 0.353 17775 8416 1 14 . 1 1 99 99 GLU HA H 374 4.120 4.120 3.882 0.238 17775 8417 1 14 . 1 1 99 99 GLU C C 374 179.740 179.740 178.589 1.151 17775 8418 1 14 . 1 1 99 99 GLU CA C 374 59.570 59.570 60.080 -0.510 17775 8419 1 14 . 1 1 99 99 GLU CB C 374 28.910 28.910 29.403 -0.493 17775 8420 1 14 . 1 1 99 99 GLU H H 374 8.100 8.100 7.959 0.141 17775 8421 1 14 . 1 1 100 100 GLU N N 375 122.040 122.040 119.660 2.380 17775 8422 1 14 . 1 1 100 100 GLU HA H 375 4.140 4.140 4.048 0.092 17775 8423 1 14 . 1 1 100 100 GLU C C 375 178.810 178.810 178.915 -0.105 17775 8424 1 14 . 1 1 100 100 GLU CA C 375 59.830 59.830 59.317 0.513 17775 8425 1 14 . 1 1 100 100 GLU CB C 375 29.220 29.220 29.597 -0.377 17775 8426 1 14 . 1 1 100 100 GLU H H 375 8.060 8.060 7.809 0.251 17775 8427 1 14 . 1 1 101 101 CYS N N 376 117.330 117.330 117.830 -0.500 17775 8428 1 14 . 1 1 101 101 CYS HA H 376 3.960 3.960 4.048 -0.088 17775 8429 1 14 . 1 1 101 101 CYS C C 376 176.540 176.540 176.949 -0.409 17775 8430 1 14 . 1 1 101 101 CYS CA C 376 64.510 64.510 64.527 -0.017 17775 8431 1 14 . 1 1 101 101 CYS CB C 376 27.270 27.270 27.276 -0.007 17775 8432 1 14 . 1 1 101 101 CYS H H 376 8.130 8.130 8.079 0.051 17775 8433 1 14 . 1 1 102 102 ASN N N 377 117.140 117.140 118.180 -1.040 17775 8434 1 14 . 1 1 102 102 ASN HA H 377 4.290 4.290 4.405 -0.115 17775 8435 1 14 . 1 1 102 102 ASN C C 377 176.980 176.980 177.625 -0.645 17775 8436 1 14 . 1 1 102 102 ASN CA C 377 56.460 56.460 56.161 0.299 17775 8437 1 14 . 1 1 102 102 ASN CB C 377 38.440 38.440 37.904 0.536 17775 8438 1 14 . 1 1 102 102 ASN H H 377 8.430 8.430 7.984 0.446 17775 8439 1 14 . 1 1 103 103 ALA N N 378 123.350 123.350 123.359 -0.009 17775 8440 1 14 . 1 1 103 103 ALA HA H 378 4.130 4.130 4.066 0.064 17775 8441 1 14 . 1 1 103 103 ALA C C 378 180.510 180.510 179.686 0.824 17775 8442 1 14 . 1 1 103 103 ALA CA C 378 55.120 55.120 55.106 0.014 17775 8443 1 14 . 1 1 103 103 ALA CB C 378 17.960 17.960 18.368 -0.408 17775 8444 1 14 . 1 1 103 103 ALA H H 378 8.130 8.130 7.873 0.257 17775 8445 1 14 . 1 1 104 104 ILE N N 379 120.880 120.880 119.440 1.440 17775 8446 1 14 . 1 1 104 104 ILE HA H 379 3.680 3.680 3.723 -0.043 17775 8447 1 14 . 1 1 104 104 ILE C C 379 178.260 178.260 178.616 -0.356 17775 8448 1 14 . 1 1 104 104 ILE CA C 379 64.860 64.860 65.684 -0.824 17775 8449 1 14 . 1 1 104 104 ILE CB C 379 38.080 38.080 38.119 -0.039 17775 8450 1 14 . 1 1 104 104 ILE H H 379 8.010 8.010 7.750 0.260 17775 8451 1 14 . 1 1 105 105 ILE N N 380 119.970 119.970 120.031 -0.061 17775 8452 1 14 . 1 1 105 105 ILE HA H 380 3.430 3.430 3.755 -0.325 17775 8453 1 14 . 1 1 105 105 ILE C C 380 177.660 177.660 178.229 -0.569 17775 8454 1 14 . 1 1 105 105 ILE CA C 380 65.490 65.490 65.840 -0.350 17775 8455 1 14 . 1 1 105 105 ILE CB C 380 38.060 38.060 37.665 0.395 17775 8456 1 14 . 1 1 105 105 ILE H H 380 8.060 8.060 7.792 0.268 17775 8457 1 14 . 1 1 106 106 GLU N N 381 118.640 118.640 119.678 -1.038 17775 8458 1 14 . 1 1 106 106 GLU HA H 381 3.970 3.970 3.963 0.007 17775 8459 1 14 . 1 1 106 106 GLU C C 381 178.440 178.440 179.015 -0.575 17775 8460 1 14 . 1 1 106 106 GLU CA C 381 59.260 59.260 59.796 -0.536 17775 8461 1 14 . 1 1 106 106 GLU CB C 381 29.570 29.570 29.286 0.284 17775 8462 1 14 . 1 1 106 106 GLU H H 381 8.140 8.140 8.010 0.130 17775 8463 1 14 . 1 1 107 107 GLN N N 382 117.770 117.770 119.055 -1.285 17775 8464 1 14 . 1 1 107 107 GLN HA H 382 4.040 4.040 4.014 0.026 17775 8465 1 14 . 1 1 107 107 GLN C C 382 177.550 177.550 178.621 -1.071 17775 8466 1 14 . 1 1 107 107 GLN CA C 382 58.170 58.170 58.885 -0.715 17775 8467 1 14 . 1 1 107 107 GLN CB C 382 28.770 28.770 28.720 0.050 17775 8468 1 14 . 1 1 107 107 GLN H H 382 7.710 7.710 7.758 -0.048 17775 8469 1 14 . 1 1 108 108 PHE N N 383 118.750 118.750 119.373 -0.623 17775 8470 1 14 . 1 1 108 108 PHE HA H 383 4.490 4.490 4.232 0.258 17775 8471 1 14 . 1 1 108 108 PHE C C 383 176.570 176.570 178.004 -1.434 17775 8472 1 14 . 1 1 108 108 PHE CA C 383 59.360 59.360 62.391 -3.031 17775 8473 1 14 . 1 1 108 108 PHE CB C 383 38.760 38.760 38.825 -0.065 17775 8474 1 14 . 1 1 108 108 PHE H H 383 7.880 7.880 7.866 0.014 17775 8475 1 14 . 1 1 109 109 ILE N N 384 118.200 118.200 119.666 -1.466 17775 8476 1 14 . 1 1 109 109 ILE HA H 384 3.720 3.720 3.805 -0.085 17775 8477 1 14 . 1 1 109 109 ILE C C 384 177.450 177.450 177.228 0.222 17775 8478 1 14 . 1 1 109 109 ILE CA C 384 64.280 64.280 64.896 -0.616 17775 8479 1 14 . 1 1 109 109 ILE CB C 384 37.870 37.870 37.845 0.025 17775 8480 1 14 . 1 1 109 109 ILE H H 384 7.950 7.950 7.799 0.151 17775 8481 1 14 . 1 1 110 110 ASP N N 385 119.750 119.750 118.553 1.197 17775 8482 1 14 . 1 1 110 110 ASP HA H 385 4.440 4.440 4.384 0.056 17775 8483 1 14 . 1 1 110 110 ASP C C 385 177.620 177.620 178.033 -0.413 17775 8484 1 14 . 1 1 110 110 ASP CA C 385 56.500 56.500 56.812 -0.312 17775 8485 1 14 . 1 1 110 110 ASP CB C 385 40.860 40.860 41.108 -0.248 17775 8486 1 14 . 1 1 110 110 ASP H H 385 7.840 7.840 7.860 -0.020 17775 8487 1 14 . 1 1 111 111 TYR N N 386 118.370 118.370 119.312 -0.942 17775 8488 1 14 . 1 1 111 111 TYR HA H 386 4.430 4.430 4.284 0.146 17775 8489 1 14 . 1 1 111 111 TYR C C 386 176.320 176.320 176.306 0.014 17775 8490 1 14 . 1 1 111 111 TYR CA C 386 58.940 58.940 60.749 -1.809 17775 8491 1 14 . 1 1 111 111 TYR CB C 386 38.440 38.440 39.442 -1.002 17775 8492 1 14 . 1 1 111 111 TYR H H 386 7.760 7.760 7.818 -0.058 17775 8493 1 14 . 1 1 112 112 LEU N N 387 119.730 119.730 119.313 0.417 17775 8494 1 14 . 1 1 112 112 LEU HA H 387 4.230 4.230 4.496 -0.266 17775 8495 1 14 . 1 1 112 112 LEU C C 387 175.900 175.900 176.182 -0.282 17775 8496 1 14 . 1 1 112 112 LEU CA C 387 55.090 55.090 54.168 0.922 17775 8497 1 14 . 1 1 112 112 LEU CB C 387 42.670 42.670 43.279 -0.609 17775 8498 1 14 . 1 1 112 112 LEU H H 387 7.660 7.660 7.764 -0.104 17775 8499 1 15 . 1 1 5 5 ILE HA H 280 4.190 4.190 3.996 0.194 17775 8500 1 15 . 1 1 5 5 ILE CA C 280 61.650 61.650 62.882 -1.232 17775 8501 1 15 . 1 1 5 5 ILE CB C 280 38.520 38.520 37.313 1.207 17775 8502 1 15 . 1 1 6 6 THR HA H 281 4.340 4.340 3.990 0.350 17775 8503 1 15 . 1 1 6 6 THR CA C 281 62.680 62.680 66.716 -4.036 17775 8504 1 15 . 1 1 6 6 THR CB C 281 69.630 69.630 68.520 1.109 17775 8505 1 15 . 1 1 8 8 PRO HA H 283 4.230 4.230 4.477 -0.247 17775 8506 1 15 . 1 1 8 8 PRO CA C 283 65.940 65.940 65.637 0.303 17775 8507 1 15 . 1 1 8 8 PRO CB C 283 30.730 30.730 30.864 -0.134 17775 8508 1 15 . 1 1 9 9 ILE N N 284 115.670 115.670 119.068 -3.398 17775 8509 1 15 . 1 1 9 9 ILE HA H 284 3.420 3.420 3.821 -0.401 17775 8510 1 15 . 1 1 9 9 ILE C C 284 177.820 177.820 178.288 -0.468 17775 8511 1 15 . 1 1 9 9 ILE CA C 284 65.540 65.540 63.815 1.725 17775 8512 1 15 . 1 1 9 9 ILE CB C 284 36.810 36.810 36.881 -0.071 17775 8513 1 15 . 1 1 9 9 ILE H H 284 7.300 7.300 7.221 0.079 17775 8514 1 15 . 1 1 10 10 ILE N N 285 121.880 121.880 120.548 1.332 17775 8515 1 15 . 1 1 10 10 ILE HA H 285 3.800 3.800 3.820 -0.020 17775 8516 1 15 . 1 1 10 10 ILE C C 285 177.690 177.690 178.938 -1.248 17775 8517 1 15 . 1 1 10 10 ILE CA C 285 62.880 62.880 63.138 -0.258 17775 8518 1 15 . 1 1 10 10 ILE CB C 285 36.560 36.560 36.243 0.317 17775 8519 1 15 . 1 1 10 10 ILE H H 285 7.880 7.880 7.801 0.079 17775 8520 1 15 . 1 1 11 11 GLU N N 286 120.580 120.580 120.176 0.404 17775 8521 1 15 . 1 1 11 11 GLU HA H 286 4.080 4.080 4.029 0.051 17775 8522 1 15 . 1 1 11 11 GLU C C 286 180.980 180.980 179.616 1.364 17775 8523 1 15 . 1 1 11 11 GLU CA C 286 59.630 59.630 60.006 -0.376 17775 8524 1 15 . 1 1 11 11 GLU CB C 286 29.550 29.550 29.700 -0.150 17775 8525 1 15 . 1 1 11 11 GLU H H 286 8.450 8.450 7.968 0.482 17775 8526 1 15 . 1 1 12 12 LEU N N 287 121.340 121.340 119.592 1.748 17775 8527 1 15 . 1 1 12 12 LEU HA H 287 4.010 4.010 4.073 -0.063 17775 8528 1 15 . 1 1 12 12 LEU C C 287 178.030 178.030 179.046 -1.016 17775 8529 1 15 . 1 1 12 12 LEU CA C 287 58.310 58.310 58.100 0.210 17775 8530 1 15 . 1 1 12 12 LEU CB C 287 42.050 42.050 41.835 0.215 17775 8531 1 15 . 1 1 12 12 LEU H H 287 8.490 8.490 8.007 0.483 17775 8532 1 15 . 1 1 13 13 SER N N 288 117.590 117.590 115.224 2.366 17775 8533 1 15 . 1 1 13 13 SER HA H 288 4.190 4.190 4.096 0.094 17775 8534 1 15 . 1 1 13 13 SER C C 288 175.660 175.660 176.734 -1.074 17775 8535 1 15 . 1 1 13 13 SER CA C 288 61.670 61.670 61.874 -0.204 17775 8536 1 15 . 1 1 13 13 SER CB C 288 62.490 62.490 62.847 -0.357 17775 8537 1 15 . 1 1 13 13 SER H H 288 8.330 8.330 8.202 0.128 17775 8538 1 15 . 1 1 14 14 ASN N N 289 119.150 119.150 120.587 -1.437 17775 8539 1 15 . 1 1 14 14 ASN HA H 289 4.450 4.450 4.535 -0.085 17775 8540 1 15 . 1 1 14 14 ASN C C 289 178.480 178.480 177.926 0.554 17775 8541 1 15 . 1 1 14 14 ASN CA C 289 55.870 55.870 56.112 -0.242 17775 8542 1 15 . 1 1 14 14 ASN CB C 289 38.090 38.090 38.218 -0.128 17775 8543 1 15 . 1 1 14 14 ASN H H 289 8.650 8.650 8.292 0.358 17775 8544 1 15 . 1 1 15 15 THR N N 290 117.650 117.650 117.191 0.459 17775 8545 1 15 . 1 1 15 15 THR HA H 290 3.830 3.830 3.963 -0.133 17775 8546 1 15 . 1 1 15 15 THR C C 290 175.030 175.030 176.050 -1.020 17775 8547 1 15 . 1 1 15 15 THR CA C 290 67.790 67.790 67.068 0.722 17775 8548 1 15 . 1 1 15 15 THR CB C 290 68.660 68.660 68.737 -0.077 17775 8549 1 15 . 1 1 15 15 THR H H 290 8.040 8.040 8.009 0.031 17775 8550 1 15 . 1 1 16 16 ALA N N 291 124.470 124.470 124.344 0.126 17775 8551 1 15 . 1 1 16 16 ALA HA H 291 3.850 3.850 3.941 -0.091 17775 8552 1 15 . 1 1 16 16 ALA C C 291 178.470 178.470 179.226 -0.756 17775 8553 1 15 . 1 1 16 16 ALA CA C 291 55.430 55.430 55.179 0.251 17775 8554 1 15 . 1 1 16 16 ALA CB C 291 17.820 17.820 18.216 -0.396 17775 8555 1 15 . 1 1 16 16 ALA H H 291 8.530 8.530 8.017 0.513 17775 8556 1 15 . 1 1 17 17 ASP N N 292 117.560 117.560 119.119 -1.559 17775 8557 1 15 . 1 1 17 17 ASP HA H 292 4.360 4.360 4.349 0.011 17775 8558 1 15 . 1 1 17 17 ASP C C 292 178.420 178.420 178.791 -0.371 17775 8559 1 15 . 1 1 17 17 ASP CA C 292 57.430 57.430 57.662 -0.232 17775 8560 1 15 . 1 1 17 17 ASP CB C 292 40.130 40.130 40.435 -0.305 17775 8561 1 15 . 1 1 17 17 ASP H H 292 8.290 8.290 8.055 0.235 17775 8562 1 15 . 1 1 18 18 LYS N N 293 119.100 119.100 119.904 -0.804 17775 8563 1 15 . 1 1 18 18 LYS HA H 293 4.010 4.010 4.177 -0.167 17775 8564 1 15 . 1 1 18 18 LYS C C 293 180.170 180.170 179.083 1.087 17775 8565 1 15 . 1 1 18 18 LYS CA C 293 59.020 59.020 59.578 -0.558 17775 8566 1 15 . 1 1 18 18 LYS CB C 293 32.270 32.270 32.483 -0.213 17775 8567 1 15 . 1 1 18 18 LYS H H 293 7.690 7.690 7.594 0.096 17775 8568 1 15 . 1 1 19 19 ILE N N 294 122.510 122.510 119.887 2.623 17775 8569 1 15 . 1 1 19 19 ILE HA H 294 3.690 3.690 4.037 -0.347 17775 8570 1 15 . 1 1 19 19 ILE C C 294 178.920 178.920 178.733 0.187 17775 8571 1 15 . 1 1 19 19 ILE CA C 294 64.400 64.400 64.872 -0.472 17775 8572 1 15 . 1 1 19 19 ILE CB C 294 38.320 38.320 37.910 0.410 17775 8573 1 15 . 1 1 19 19 ILE H H 294 8.220 8.220 7.749 0.471 17775 8574 1 15 . 1 1 20 20 ALA N N 295 123.270 123.270 122.069 1.201 17775 8575 1 15 . 1 1 20 20 ALA HA H 295 3.850 3.850 4.071 -0.221 17775 8576 1 15 . 1 1 20 20 ALA C C 295 179.390 179.390 178.961 0.429 17775 8577 1 15 . 1 1 20 20 ALA CA C 295 55.370 55.370 54.833 0.537 17775 8578 1 15 . 1 1 20 20 ALA CB C 295 17.880 17.880 18.379 -0.499 17775 8579 1 15 . 1 1 20 20 ALA H H 295 8.580 8.580 7.785 0.795 17775 8580 1 15 . 1 1 21 21 GLU N N 296 115.530 115.530 116.455 -0.925 17775 8581 1 15 . 1 1 21 21 GLU HA H 296 4.160 4.160 4.187 -0.027 17775 8582 1 15 . 1 1 21 21 GLU C C 296 176.560 176.560 177.615 -1.055 17775 8583 1 15 . 1 1 21 21 GLU CA C 296 56.400 56.400 56.317 0.083 17775 8584 1 15 . 1 1 21 21 GLU CB C 296 29.830 29.830 29.682 0.148 17775 8585 1 15 . 1 1 21 21 GLU H H 296 7.680 7.680 7.785 -0.105 17775 8586 1 15 . 1 1 22 22 GLY N N 297 105.910 105.910 108.114 -2.204 17775 8587 1 15 . 1 1 22 22 GLY C C 297 174.160 174.160 174.286 -0.126 17775 8588 1 15 . 1 1 22 22 GLY CA C 297 45.040 45.040 44.644 0.396 17775 8589 1 15 . 1 1 22 22 GLY H H 297 7.820 7.820 7.902 -0.082 17775 8590 1 15 . 1 1 23 23 ASN N N 298 120.260 120.260 121.082 -0.822 17775 8591 1 15 . 1 1 23 23 ASN HA H 298 4.960 4.960 5.006 -0.046 17775 8592 1 15 . 1 1 23 23 ASN C C 298 174.560 174.560 175.884 -1.324 17775 8593 1 15 . 1 1 23 23 ASN CA C 298 51.800 51.800 51.847 -0.047 17775 8594 1 15 . 1 1 23 23 ASN CB C 298 36.750 36.750 37.706 -0.956 17775 8595 1 15 . 1 1 23 23 ASN H H 298 8.070 8.070 8.204 -0.134 17775 8596 1 15 . 1 1 24 24 LEU N N 299 119.750 119.750 122.840 -3.090 17775 8597 1 15 . 1 1 24 24 LEU HA H 299 3.950 3.950 4.016 -0.066 17775 8598 1 15 . 1 1 24 24 LEU C C 299 176.390 176.390 177.918 -1.528 17775 8599 1 15 . 1 1 24 24 LEU CA C 299 56.250 56.250 57.853 -1.603 17775 8600 1 15 . 1 1 24 24 LEU CB C 299 41.260 41.260 41.714 -0.454 17775 8601 1 15 . 1 1 24 24 LEU H H 299 7.850 7.850 7.555 0.295 17775 8602 1 15 . 1 1 25 25 GLU N N 300 114.210 114.210 116.776 -2.566 17775 8603 1 15 . 1 1 25 25 GLU HA H 300 4.230 4.230 4.234 -0.004 17775 8604 1 15 . 1 1 25 25 GLU C C 300 176.050 176.050 176.026 0.024 17775 8605 1 15 . 1 1 25 25 GLU CA C 300 55.640 55.640 56.189 -0.549 17775 8606 1 15 . 1 1 25 25 GLU CB C 300 29.410 29.410 29.110 0.300 17775 8607 1 15 . 1 1 25 25 GLU H H 300 7.840 7.840 8.344 -0.504 17775 8608 1 15 . 1 1 26 26 ALA N N 301 124.010 124.010 124.215 -0.205 17775 8609 1 15 . 1 1 26 26 ALA HA H 301 3.880 3.880 4.147 -0.267 17775 8610 1 15 . 1 1 26 26 ALA C C 301 175.390 175.390 176.992 -1.602 17775 8611 1 15 . 1 1 26 26 ALA CA C 301 52.890 52.890 52.701 0.189 17775 8612 1 15 . 1 1 26 26 ALA CB C 301 18.570 18.570 19.018 -0.449 17775 8613 1 15 . 1 1 26 26 ALA H H 301 6.770 6.770 7.236 -0.466 17775 8614 1 15 . 1 1 27 27 GLU N N 302 120.120 120.120 123.606 -3.486 17775 8615 1 15 . 1 1 27 27 GLU HA H 302 4.080 4.080 4.196 -0.116 17775 8616 1 15 . 1 1 27 27 GLU C C 302 176.510 176.510 176.634 -0.124 17775 8617 1 15 . 1 1 27 27 GLU CA C 302 55.150 55.150 56.122 -0.972 17775 8618 1 15 . 1 1 27 27 GLU CB C 302 30.160 30.160 30.541 -0.381 17775 8619 1 15 . 1 1 27 27 GLU H H 302 7.880 7.880 8.365 -0.485 17775 8620 1 15 . 1 1 28 28 VAL N N 303 129.020 129.020 125.069 3.951 17775 8621 1 15 . 1 1 28 28 VAL HA H 303 4.230 4.230 4.122 0.108 17775 8622 1 15 . 1 1 28 28 VAL CA C 303 60.440 60.440 61.339 -0.899 17775 8623 1 15 . 1 1 28 28 VAL CB C 303 31.760 31.760 31.771 -0.011 17775 8624 1 15 . 1 1 28 28 VAL H H 303 8.890 8.890 8.007 0.883 17775 8625 1 15 . 1 1 29 29 PRO HA H 304 4.400 4.400 4.533 -0.133 17775 8626 1 15 . 1 1 29 29 PRO CA C 304 62.790 62.790 61.796 0.994 17775 8627 1 15 . 1 1 29 29 PRO CB C 304 32.120 32.120 33.196 -1.076 17775 8628 1 15 . 1 1 30 30 HIS N N 305 103.640 103.640 111.652 -8.012 17775 8629 1 15 . 1 1 30 30 HIS HA H 305 4.210 4.210 4.197 0.013 17775 8630 1 15 . 1 1 30 30 HIS C C 305 175.590 175.590 176.596 -1.006 17775 8631 1 15 . 1 1 30 30 HIS CA C 305 57.950 57.950 57.657 0.293 17775 8632 1 15 . 1 1 30 30 HIS CB C 305 27.910 27.910 27.284 0.626 17775 8633 1 15 . 1 1 30 30 HIS H H 305 7.780 7.780 8.433 -0.653 17775 8634 1 15 . 1 1 31 31 GLN N N 306 114.840 114.840 117.040 -2.200 17775 8635 1 15 . 1 1 31 31 GLN HA H 306 3.990 3.990 4.059 -0.069 17775 8636 1 15 . 1 1 31 31 GLN C C 306 176.290 176.290 176.437 -0.147 17775 8637 1 15 . 1 1 31 31 GLN CA C 306 58.680 58.680 58.739 -0.059 17775 8638 1 15 . 1 1 31 31 GLN CB C 306 30.630 30.630 28.771 1.859 17775 8639 1 15 . 1 1 31 31 GLN H H 306 8.010 8.010 8.465 -0.455 17775 8640 1 15 . 1 1 32 32 ASN N N 307 113.230 113.230 113.111 0.119 17775 8641 1 15 . 1 1 32 32 ASN HA H 307 4.640 4.640 4.589 0.051 17775 8642 1 15 . 1 1 32 32 ASN C C 307 175.610 175.610 175.292 0.318 17775 8643 1 15 . 1 1 32 32 ASN CA C 307 52.800 52.800 53.058 -0.258 17775 8644 1 15 . 1 1 32 32 ASN CB C 307 37.630 37.630 38.331 -0.701 17775 8645 1 15 . 1 1 32 32 ASN H H 307 8.360 8.360 8.212 0.148 17775 8646 1 15 . 1 1 33 33 ARG N N 308 119.580 119.580 121.559 -1.979 17775 8647 1 15 . 1 1 33 33 ARG HA H 308 4.140 4.140 4.283 -0.143 17775 8648 1 15 . 1 1 33 33 ARG CA C 308 56.950 56.950 56.715 0.235 17775 8649 1 15 . 1 1 33 33 ARG CB C 308 33.030 33.030 30.953 2.077 17775 8650 1 15 . 1 1 33 33 ARG H H 308 7.160 7.160 7.522 -0.362 17775 8651 1 15 . 1 1 34 34 ALA HA H 309 4.530 4.530 4.289 0.241 17775 8652 1 15 . 1 1 34 34 ALA C C 309 176.610 176.610 177.054 -0.444 17775 8653 1 15 . 1 1 34 34 ALA CA C 309 51.650 51.650 52.609 -0.959 17775 8654 1 15 . 1 1 34 34 ALA CB C 309 18.830 18.830 19.239 -0.409 17775 8655 1 15 . 1 1 35 35 ASP N N 310 117.680 117.680 118.912 -1.232 17775 8656 1 15 . 1 1 35 35 ASP HA H 310 4.660 4.660 4.634 0.026 17775 8657 1 15 . 1 1 35 35 ASP C C 310 176.740 176.740 177.129 -0.389 17775 8658 1 15 . 1 1 35 35 ASP CA C 310 52.240 52.240 53.058 -0.818 17775 8659 1 15 . 1 1 35 35 ASP CB C 310 41.580 41.580 40.618 0.962 17775 8660 1 15 . 1 1 35 35 ASP H H 310 7.460 7.460 7.709 -0.249 17775 8661 1 15 . 1 1 36 36 GLU N N 311 118.110 118.110 117.350 0.760 17775 8662 1 15 . 1 1 36 36 GLU HA H 311 3.870 3.870 4.078 -0.208 17775 8663 1 15 . 1 1 36 36 GLU C C 311 177.440 177.440 178.487 -1.047 17775 8664 1 15 . 1 1 36 36 GLU CA C 311 60.460 60.460 59.724 0.736 17775 8665 1 15 . 1 1 36 36 GLU CB C 311 27.660 27.660 29.373 -1.713 17775 8666 1 15 . 1 1 36 36 GLU H H 311 9.910 9.910 8.654 1.256 17775 8667 1 15 . 1 1 37 37 ILE N N 312 118.790 118.790 119.372 -0.582 17775 8668 1 15 . 1 1 37 37 ILE HA H 312 3.570 3.570 3.881 -0.311 17775 8669 1 15 . 1 1 37 37 ILE C C 312 177.460 177.460 178.160 -0.700 17775 8670 1 15 . 1 1 37 37 ILE CA C 312 63.170 63.170 62.751 0.419 17775 8671 1 15 . 1 1 37 37 ILE CB C 312 35.770 35.770 36.688 -0.918 17775 8672 1 15 . 1 1 37 37 ILE H H 312 7.420 7.420 7.607 -0.187 17775 8673 1 15 . 1 1 38 38 GLY N N 313 108.320 108.320 109.256 -0.936 17775 8674 1 15 . 1 1 38 38 GLY C C 313 176.200 176.200 176.198 0.002 17775 8675 1 15 . 1 1 38 38 GLY CA C 313 47.090 47.090 47.369 -0.279 17775 8676 1 15 . 1 1 38 38 GLY H H 313 7.510 7.510 7.919 -0.409 17775 8677 1 15 . 1 1 39 39 ILE N N 314 121.890 121.890 122.516 -0.626 17775 8678 1 15 . 1 1 39 39 ILE HA H 314 3.630 3.630 3.699 -0.069 17775 8679 1 15 . 1 1 39 39 ILE C C 314 179.070 179.070 177.598 1.472 17775 8680 1 15 . 1 1 39 39 ILE CA C 314 64.750 64.750 64.986 -0.236 17775 8681 1 15 . 1 1 39 39 ILE CB C 314 37.610 37.610 37.965 -0.355 17775 8682 1 15 . 1 1 39 39 ILE H H 314 7.390 7.390 7.714 -0.324 17775 8683 1 15 . 1 1 40 40 LEU N N 315 121.370 121.370 121.472 -0.102 17775 8684 1 15 . 1 1 40 40 LEU HA H 315 4.120 4.120 4.046 0.074 17775 8685 1 15 . 1 1 40 40 LEU C C 315 178.560 178.560 178.141 0.419 17775 8686 1 15 . 1 1 40 40 LEU CA C 315 57.620 57.620 57.847 -0.227 17775 8687 1 15 . 1 1 40 40 LEU CB C 315 41.490 41.490 41.566 -0.076 17775 8688 1 15 . 1 1 40 40 LEU H H 315 7.770 7.770 7.727 0.043 17775 8689 1 15 . 1 1 41 41 ALA N N 316 123.480 123.480 121.548 1.932 17775 8690 1 15 . 1 1 41 41 ALA HA H 316 3.840 3.840 3.938 -0.098 17775 8691 1 15 . 1 1 41 41 ALA C C 316 179.700 179.700 179.496 0.204 17775 8692 1 15 . 1 1 41 41 ALA CA C 316 56.180 56.180 55.456 0.724 17775 8693 1 15 . 1 1 41 41 ALA CB C 316 19.870 19.870 18.323 1.548 17775 8694 1 15 . 1 1 41 41 ALA H H 316 9.020 9.020 7.932 1.088 17775 8695 1 15 . 1 1 42 42 LYS N N 317 116.890 116.890 118.615 -1.725 17775 8696 1 15 . 1 1 42 42 LYS HA H 317 3.900 3.900 4.020 -0.120 17775 8697 1 15 . 1 1 42 42 LYS C C 317 179.730 179.730 179.184 0.546 17775 8698 1 15 . 1 1 42 42 LYS CA C 317 60.430 60.430 59.494 0.936 17775 8699 1 15 . 1 1 42 42 LYS H H 317 8.320 8.320 7.942 0.378 17775 8700 1 15 . 1 1 43 43 SER N N 318 119.130 119.130 115.669 3.461 17775 8701 1 15 . 1 1 43 43 SER HA H 318 4.340 4.340 4.187 0.153 17775 8702 1 15 . 1 1 43 43 SER C C 318 177.430 177.430 176.781 0.649 17775 8703 1 15 . 1 1 43 43 SER CA C 318 62.630 62.630 61.565 1.065 17775 8704 1 15 . 1 1 43 43 SER CB C 318 63.050 63.050 62.998 0.052 17775 8705 1 15 . 1 1 43 43 SER H H 318 8.060 8.060 7.923 0.137 17775 8706 1 15 . 1 1 44 44 ILE N N 319 124.020 124.020 122.838 1.182 17775 8707 1 15 . 1 1 44 44 ILE HA H 319 3.640 3.640 3.686 -0.046 17775 8708 1 15 . 1 1 44 44 ILE C C 319 177.190 177.190 177.888 -0.698 17775 8709 1 15 . 1 1 44 44 ILE CA C 319 65.020 65.020 64.970 0.050 17775 8710 1 15 . 1 1 44 44 ILE CB C 319 36.790 36.790 37.630 -0.841 17775 8711 1 15 . 1 1 44 44 ILE H H 319 8.250 8.250 7.648 0.602 17775 8712 1 15 . 1 1 45 45 GLU N N 320 123.090 123.090 120.783 2.307 17775 8713 1 15 . 1 1 45 45 GLU HA H 320 4.600 4.600 3.955 0.645 17775 8714 1 15 . 1 1 45 45 GLU C C 320 178.190 178.190 178.666 -0.476 17775 8715 1 15 . 1 1 45 45 GLU CA C 320 58.430 58.430 59.435 -1.005 17775 8716 1 15 . 1 1 45 45 GLU CB C 320 27.700 27.700 29.195 -1.495 17775 8717 1 15 . 1 1 45 45 GLU H H 320 8.390 8.390 7.996 0.394 17775 8718 1 15 . 1 1 46 46 ARG N N 321 119.760 119.760 119.104 0.656 17775 8719 1 15 . 1 1 46 46 ARG HA H 321 3.930 3.930 4.052 -0.122 17775 8720 1 15 . 1 1 46 46 ARG C C 321 179.950 179.950 179.026 0.924 17775 8721 1 15 . 1 1 46 46 ARG CA C 321 60.440 60.440 59.367 1.073 17775 8722 1 15 . 1 1 46 46 ARG CB C 321 29.770 29.770 30.132 -0.362 17775 8723 1 15 . 1 1 46 46 ARG H H 321 8.000 8.000 7.806 0.194 17775 8724 1 15 . 1 1 47 47 LEU N N 322 121.360 121.360 119.505 1.855 17775 8725 1 15 . 1 1 47 47 LEU HA H 322 4.020 4.020 4.023 -0.003 17775 8726 1 15 . 1 1 47 47 LEU C C 322 178.040 178.040 178.626 -0.586 17775 8727 1 15 . 1 1 47 47 LEU CA C 322 58.550 58.550 58.115 0.435 17775 8728 1 15 . 1 1 47 47 LEU CB C 322 41.650 41.650 41.520 0.130 17775 8729 1 15 . 1 1 47 47 LEU H H 322 7.870 7.870 7.822 0.048 17775 8730 1 15 . 1 1 48 48 ARG N N 323 121.390 121.390 119.246 2.144 17775 8731 1 15 . 1 1 48 48 ARG HA H 323 3.690 3.690 3.921 -0.231 17775 8732 1 15 . 1 1 48 48 ARG C C 323 178.120 178.120 178.341 -0.221 17775 8733 1 15 . 1 1 48 48 ARG CA C 323 60.630 60.630 59.703 0.927 17775 8734 1 15 . 1 1 48 48 ARG CB C 323 30.230 30.230 29.993 0.237 17775 8735 1 15 . 1 1 48 48 ARG H H 323 8.730 8.730 7.866 0.864 17775 8736 1 15 . 1 1 49 49 ARG N N 324 116.720 116.720 118.752 -2.032 17775 8737 1 15 . 1 1 49 49 ARG HA H 324 3.840 3.840 4.009 -0.169 17775 8738 1 15 . 1 1 49 49 ARG C C 324 179.060 179.060 178.468 0.592 17775 8739 1 15 . 1 1 49 49 ARG CA C 324 59.930 59.930 59.957 -0.027 17775 8740 1 15 . 1 1 49 49 ARG CB C 324 29.830 29.830 30.151 -0.321 17775 8741 1 15 . 1 1 49 49 ARG H H 324 8.550 8.550 8.156 0.394 17775 8742 1 15 . 1 1 50 50 SER N N 325 117.600 117.600 116.458 1.142 17775 8743 1 15 . 1 1 50 50 SER HA H 325 4.120 4.120 4.173 -0.053 17775 8744 1 15 . 1 1 50 50 SER C C 325 176.050 176.050 176.729 -0.679 17775 8745 1 15 . 1 1 50 50 SER CA C 325 62.630 62.630 62.643 -0.013 17775 8746 1 15 . 1 1 50 50 SER CB C 325 62.950 62.950 62.923 0.027 17775 8747 1 15 . 1 1 50 50 SER H H 325 8.170 8.170 7.815 0.355 17775 8748 1 15 . 1 1 51 51 LEU N N 326 123.730 123.730 121.999 1.731 17775 8749 1 15 . 1 1 51 51 LEU HA H 326 3.990 3.990 3.915 0.075 17775 8750 1 15 . 1 1 51 51 LEU C C 326 177.380 177.380 178.563 -1.183 17775 8751 1 15 . 1 1 51 51 LEU CA C 326 58.580 58.580 57.903 0.677 17775 8752 1 15 . 1 1 51 51 LEU CB C 326 42.190 42.190 41.713 0.477 17775 8753 1 15 . 1 1 51 51 LEU H H 326 8.190 8.190 7.744 0.446 17775 8754 1 15 . 1 1 52 52 LYS N N 327 119.170 119.170 119.057 0.113 17775 8755 1 15 . 1 1 52 52 LYS HA H 327 3.860 3.860 3.923 -0.063 17775 8756 1 15 . 1 1 52 52 LYS C C 327 179.050 179.050 178.829 0.221 17775 8757 1 15 . 1 1 52 52 LYS CA C 327 59.700 59.700 59.214 0.486 17775 8758 1 15 . 1 1 52 52 LYS CB C 327 32.020 32.020 32.090 -0.070 17775 8759 1 15 . 1 1 52 52 LYS H H 327 8.580 8.580 8.064 0.516 17775 8760 1 15 . 1 1 53 53 GLN N N 328 118.180 118.180 119.115 -0.935 17775 8761 1 15 . 1 1 53 53 GLN HA H 328 4.080 4.080 4.050 0.030 17775 8762 1 15 . 1 1 53 53 GLN C C 328 177.960 177.960 178.667 -0.707 17775 8763 1 15 . 1 1 53 53 GLN CA C 328 58.690 58.690 59.063 -0.373 17775 8764 1 15 . 1 1 53 53 GLN CB C 328 28.450 28.450 28.883 -0.433 17775 8765 1 15 . 1 1 53 53 GLN H H 328 8.080 8.080 7.898 0.182 17775 8766 1 15 . 1 1 54 54 LEU N N 329 118.740 118.740 119.823 -1.083 17775 8767 1 15 . 1 1 54 54 LEU HA H 329 4.150 4.150 3.976 0.174 17775 8768 1 15 . 1 1 54 54 LEU C C 329 179.580 179.580 178.808 0.772 17775 8769 1 15 . 1 1 54 54 LEU CA C 329 58.080 58.080 57.947 0.133 17775 8770 1 15 . 1 1 54 54 LEU CB C 329 42.620 42.620 41.770 0.849 17775 8771 1 15 . 1 1 54 54 LEU H H 329 7.680 7.680 7.898 -0.218 17775 8772 1 15 . 1 1 55 55 ALA N N 330 123.330 123.330 121.982 1.348 17775 8773 1 15 . 1 1 55 55 ALA HA H 330 4.050 4.050 3.906 0.144 17775 8774 1 15 . 1 1 55 55 ALA C C 330 180.530 180.530 179.420 1.110 17775 8775 1 15 . 1 1 55 55 ALA CA C 330 55.630 55.630 55.471 0.159 17775 8776 1 15 . 1 1 55 55 ALA CB C 330 18.320 18.320 17.991 0.329 17775 8777 1 15 . 1 1 55 55 ALA H H 330 8.390 8.390 7.955 0.435 17775 8778 1 15 . 1 1 56 56 ASP N N 331 121.350 121.350 118.930 2.420 17775 8779 1 15 . 1 1 56 56 ASP HA H 331 4.420 4.420 4.295 0.125 17775 8780 1 15 . 1 1 56 56 ASP C C 331 179.100 179.100 178.637 0.463 17775 8781 1 15 . 1 1 56 56 ASP CA C 331 57.430 57.430 57.346 0.083 17775 8782 1 15 . 1 1 56 56 ASP CB C 331 39.630 39.630 40.208 -0.578 17775 8783 1 15 . 1 1 56 56 ASP H H 331 8.820 8.820 8.029 0.791 17775 8784 1 15 . 1 1 57 57 ASP N N 332 121.570 121.570 120.206 1.364 17775 8785 1 15 . 1 1 57 57 ASP HA H 332 4.490 4.490 4.395 0.095 17775 8786 1 15 . 1 1 57 57 ASP C C 332 179.080 179.080 178.462 0.618 17775 8787 1 15 . 1 1 57 57 ASP CA C 332 57.380 57.380 57.123 0.257 17775 8788 1 15 . 1 1 57 57 ASP CB C 332 40.440 40.440 40.530 -0.090 17775 8789 1 15 . 1 1 57 57 ASP H H 332 8.420 8.420 8.127 0.293 17775 8790 1 15 . 1 1 58 58 ARG N N 333 120.250 120.250 119.955 0.295 17775 8791 1 15 . 1 1 58 58 ARG HA H 333 3.940 3.940 3.995 -0.055 17775 8792 1 15 . 1 1 58 58 ARG C C 333 177.770 177.770 178.406 -0.636 17775 8793 1 15 . 1 1 58 58 ARG CA C 333 58.790 58.790 59.589 -0.799 17775 8794 1 15 . 1 1 58 58 ARG CB C 333 30.300 30.300 30.312 -0.012 17775 8795 1 15 . 1 1 58 58 ARG H H 333 7.900 7.900 7.853 0.047 17775 8796 1 15 . 1 1 59 59 THR N N 334 115.160 115.160 114.682 0.478 17775 8797 1 15 . 1 1 59 59 THR HA H 334 3.960 3.960 4.094 -0.134 17775 8798 1 15 . 1 1 59 59 THR C C 334 176.690 176.690 176.649 0.041 17775 8799 1 15 . 1 1 59 59 THR CA C 334 66.430 66.430 66.258 0.172 17775 8800 1 15 . 1 1 59 59 THR CB C 334 68.720 68.720 68.677 0.043 17775 8801 1 15 . 1 1 59 59 THR H H 334 7.940 7.940 7.561 0.379 17775 8802 1 15 . 1 1 60 60 LEU N N 335 123.040 123.040 121.955 1.085 17775 8803 1 15 . 1 1 60 60 LEU HA H 335 4.070 4.070 3.965 0.105 17775 8804 1 15 . 1 1 60 60 LEU C C 335 180.040 180.040 178.705 1.335 17775 8805 1 15 . 1 1 60 60 LEU CA C 335 57.690 57.690 57.887 -0.197 17775 8806 1 15 . 1 1 60 60 LEU CB C 335 41.810 41.810 41.721 0.089 17775 8807 1 15 . 1 1 60 60 LEU H H 335 7.860 7.860 7.848 0.012 17775 8808 1 15 . 1 1 61 61 LEU N N 336 121.600 121.600 120.257 1.343 17775 8809 1 15 . 1 1 61 61 LEU HA H 336 4.020 4.020 3.882 0.138 17775 8810 1 15 . 1 1 61 61 LEU C C 336 179.360 179.360 178.429 0.931 17775 8811 1 15 . 1 1 61 61 LEU CA C 336 57.900 57.900 58.281 -0.380 17775 8812 1 15 . 1 1 61 61 LEU CB C 336 41.970 41.970 41.885 0.085 17775 8813 1 15 . 1 1 61 61 LEU H H 336 8.180 8.180 8.085 0.095 17775 8814 1 15 . 1 1 62 62 MET N N 337 116.900 116.900 118.666 -1.766 17775 8815 1 15 . 1 1 62 62 MET HA H 337 4.110 4.110 3.894 0.216 17775 8816 1 15 . 1 1 62 62 MET C C 337 179.750 179.750 178.077 1.673 17775 8817 1 15 . 1 1 62 62 MET CA C 337 57.850 57.850 59.035 -1.185 17775 8818 1 15 . 1 1 62 62 MET CB C 337 32.200 32.200 32.495 -0.294 17775 8819 1 15 . 1 1 62 62 MET H H 337 8.160 8.160 7.563 0.597 17775 8820 1 15 . 1 1 63 63 ALA N N 338 122.990 122.990 120.627 2.363 17775 8821 1 15 . 1 1 63 63 ALA HA H 338 4.110 4.110 4.013 0.097 17775 8822 1 15 . 1 1 63 63 ALA C C 338 180.420 180.420 179.522 0.898 17775 8823 1 15 . 1 1 63 63 ALA CA C 338 55.270 55.270 55.325 -0.055 17775 8824 1 15 . 1 1 63 63 ALA CB C 338 17.960 17.960 17.993 -0.033 17775 8825 1 15 . 1 1 63 63 ALA H H 338 8.090 8.090 7.827 0.263 17775 8826 1 15 . 1 1 64 64 GLY N N 339 106.980 106.980 106.911 0.069 17775 8827 1 15 . 1 1 64 64 GLY C C 339 175.240 175.240 176.330 -1.090 17775 8828 1 15 . 1 1 64 64 GLY CA C 339 47.190 47.190 47.223 -0.033 17775 8829 1 15 . 1 1 64 64 GLY H H 339 8.070 8.070 7.849 0.221 17775 8830 1 15 . 1 1 65 65 VAL N N 340 120.660 120.660 121.735 -1.075 17775 8831 1 15 . 1 1 65 65 VAL HA H 340 3.780 3.780 3.599 0.181 17775 8832 1 15 . 1 1 65 65 VAL C C 340 176.960 176.960 178.102 -1.142 17775 8833 1 15 . 1 1 65 65 VAL CA C 340 65.620 65.620 66.477 -0.857 17775 8834 1 15 . 1 1 65 65 VAL CB C 340 31.690 31.690 31.188 0.502 17775 8835 1 15 . 1 1 65 65 VAL H H 340 8.100 8.100 7.782 0.318 17775 8836 1 15 . 1 1 66 66 SER N N 341 112.150 112.150 115.812 -3.662 17775 8837 1 15 . 1 1 66 66 SER HA H 341 4.000 4.000 4.050 -0.050 17775 8838 1 15 . 1 1 66 66 SER C C 341 175.860 175.860 176.591 -0.731 17775 8839 1 15 . 1 1 66 66 SER CA C 341 61.240 61.240 62.375 -1.135 17775 8840 1 15 . 1 1 66 66 SER CB C 341 63.260 63.260 63.056 0.204 17775 8841 1 15 . 1 1 66 66 SER H H 341 7.810 7.810 7.984 -0.174 17775 8842 1 15 . 1 1 67 67 HIS N N 342 118.910 118.910 120.607 -1.697 17775 8843 1 15 . 1 1 67 67 HIS HA H 342 4.440 4.440 4.207 0.233 17775 8844 1 15 . 1 1 67 67 HIS C C 342 177.780 177.780 177.884 -0.104 17775 8845 1 15 . 1 1 67 67 HIS CA C 342 59.160 59.160 59.592 -0.432 17775 8846 1 15 . 1 1 67 67 HIS CB C 342 30.400 30.400 30.078 0.322 17775 8847 1 15 . 1 1 67 67 HIS H H 342 7.830 7.830 7.685 0.145 17775 8848 1 15 . 1 1 68 68 ASP N N 343 120.590 120.590 120.150 0.440 17775 8849 1 15 . 1 1 68 68 ASP HA H 343 4.440 4.440 4.460 -0.020 17775 8850 1 15 . 1 1 68 68 ASP C C 343 178.470 178.470 178.866 -0.396 17775 8851 1 15 . 1 1 68 68 ASP CA C 343 57.500 57.500 56.962 0.538 17775 8852 1 15 . 1 1 68 68 ASP CB C 343 39.880 39.880 40.770 -0.890 17775 8853 1 15 . 1 1 68 68 ASP H H 343 8.580 8.580 7.907 0.673 17775 8854 1 15 . 1 1 69 69 LEU N N 344 117.900 117.900 119.919 -2.019 17775 8855 1 15 . 1 1 69 69 LEU HA H 344 4.190 4.190 4.014 0.176 17775 8856 1 15 . 1 1 69 69 LEU C C 344 177.010 177.010 178.477 -1.467 17775 8857 1 15 . 1 1 69 69 LEU CA C 344 56.810 56.810 57.192 -0.382 17775 8858 1 15 . 1 1 69 69 LEU CB C 344 43.300 43.300 41.543 1.757 17775 8859 1 15 . 1 1 69 69 LEU H H 344 8.300 8.300 7.928 0.372 17775 8860 1 15 . 1 1 70 70 ARG N N 345 114.380 114.380 118.629 -4.249 17775 8861 1 15 . 1 1 70 70 ARG HA H 345 3.930 3.930 3.858 0.072 17775 8862 1 15 . 1 1 70 70 ARG C C 345 178.840 178.840 178.151 0.689 17775 8863 1 15 . 1 1 70 70 ARG CA C 345 59.420 59.420 59.850 -0.430 17775 8864 1 15 . 1 1 70 70 ARG CB C 345 30.210 30.210 29.893 0.317 17775 8865 1 15 . 1 1 70 70 ARG H H 345 7.280 7.280 7.795 -0.515 17775 8866 1 15 . 1 1 71 71 THR N N 346 115.370 115.370 115.291 0.079 17775 8867 1 15 . 1 1 71 71 THR HA H 346 4.060 4.060 4.222 -0.162 17775 8868 1 15 . 1 1 71 71 THR CA C 346 68.800 68.800 68.343 0.457 17775 8869 1 15 . 1 1 71 71 THR CB C 346 66.590 66.590 66.561 0.028 17775 8870 1 15 . 1 1 71 71 THR H H 346 7.540 7.540 7.645 -0.105 17775 8871 1 15 . 1 1 72 72 PRO HA H 347 4.090 4.090 4.300 -0.210 17775 8872 1 15 . 1 1 72 72 PRO CA C 347 65.860 65.860 65.676 0.184 17775 8873 1 15 . 1 1 72 72 PRO CB C 347 31.380 31.380 31.271 0.109 17775 8874 1 15 . 1 1 73 73 LEU N N 348 114.830 114.830 119.052 -4.222 17775 8875 1 15 . 1 1 73 73 LEU HA H 348 3.950 3.950 3.918 0.032 17775 8876 1 15 . 1 1 73 73 LEU C C 348 179.120 179.120 179.230 -0.110 17775 8877 1 15 . 1 1 73 73 LEU CA C 348 58.450 58.450 58.204 0.246 17775 8878 1 15 . 1 1 73 73 LEU CB C 348 41.320 41.320 41.618 -0.298 17775 8879 1 15 . 1 1 73 73 LEU H H 348 6.970 6.970 7.685 -0.715 17775 8880 1 15 . 1 1 74 74 THR N N 349 116.230 116.230 114.569 1.661 17775 8881 1 15 . 1 1 74 74 THR HA H 349 3.880 3.880 3.855 0.025 17775 8882 1 15 . 1 1 74 74 THR C C 349 176.100 176.100 176.697 -0.597 17775 8883 1 15 . 1 1 74 74 THR CA C 349 66.760 66.760 66.653 0.106 17775 8884 1 15 . 1 1 74 74 THR CB C 349 68.770 68.770 68.443 0.327 17775 8885 1 15 . 1 1 74 74 THR H H 349 8.090 8.090 7.878 0.212 17775 8886 1 15 . 1 1 75 75 ARG N N 350 121.190 121.190 122.303 -1.113 17775 8887 1 15 . 1 1 75 75 ARG HA H 350 3.970 3.970 4.030 -0.060 17775 8888 1 15 . 1 1 75 75 ARG C C 350 180.130 180.130 178.644 1.486 17775 8889 1 15 . 1 1 75 75 ARG CA C 350 61.030 61.030 59.577 1.453 17775 8890 1 15 . 1 1 75 75 ARG CB C 350 31.080 31.080 30.062 1.018 17775 8891 1 15 . 1 1 75 75 ARG H H 350 7.570 7.570 7.653 -0.083 17775 8892 1 15 . 1 1 76 76 ILE N N 351 122.150 122.150 119.604 2.546 17775 8893 1 15 . 1 1 76 76 ILE HA H 351 3.700 3.700 3.648 0.052 17775 8894 1 15 . 1 1 76 76 ILE C C 351 177.070 177.070 177.927 -0.857 17775 8895 1 15 . 1 1 76 76 ILE CA C 351 65.560 65.560 65.020 0.540 17775 8896 1 15 . 1 1 76 76 ILE CB C 351 37.650 37.650 37.616 0.034 17775 8897 1 15 . 1 1 76 76 ILE H H 351 8.060 8.060 7.862 0.198 17775 8898 1 15 . 1 1 77 77 ARG N N 352 120.120 120.120 120.607 -0.487 17775 8899 1 15 . 1 1 77 77 ARG HA H 352 3.930 3.930 4.101 -0.171 17775 8900 1 15 . 1 1 77 77 ARG C C 352 179.580 179.580 178.810 0.770 17775 8901 1 15 . 1 1 77 77 ARG CA C 352 59.340 59.340 58.778 0.562 17775 8902 1 15 . 1 1 77 77 ARG CB C 352 29.690 29.690 29.832 -0.142 17775 8903 1 15 . 1 1 77 77 ARG H H 352 7.700 7.700 7.724 -0.025 17775 8904 1 15 . 1 1 78 78 LEU N N 353 119.970 119.970 119.064 0.906 17775 8905 1 15 . 1 1 78 78 LEU HA H 353 4.000 4.000 4.096 -0.096 17775 8906 1 15 . 1 1 78 78 LEU C C 353 179.600 179.600 179.076 0.524 17775 8907 1 15 . 1 1 78 78 LEU CA C 353 57.910 57.910 57.861 0.049 17775 8908 1 15 . 1 1 78 78 LEU CB C 353 41.430 41.430 41.854 -0.424 17775 8909 1 15 . 1 1 78 78 LEU H H 353 8.260 8.260 7.876 0.384 17775 8910 1 15 . 1 1 79 79 ALA N N 354 122.390 122.390 121.006 1.384 17775 8911 1 15 . 1 1 79 79 ALA HA H 354 4.070 4.070 4.068 0.002 17775 8912 1 15 . 1 1 79 79 ALA C C 354 180.620 180.620 179.263 1.357 17775 8913 1 15 . 1 1 79 79 ALA CA C 354 55.270 55.270 54.896 0.374 17775 8914 1 15 . 1 1 79 79 ALA CB C 354 18.030 18.030 18.630 -0.599 17775 8915 1 15 . 1 1 79 79 ALA H H 354 7.850 7.850 7.952 -0.102 17775 8916 1 15 . 1 1 80 80 THR N N 355 107.540 107.540 110.791 -3.251 17775 8917 1 15 . 1 1 80 80 THR HA H 355 3.990 3.990 4.027 -0.037 17775 8918 1 15 . 1 1 80 80 THR C C 355 177.250 177.250 176.265 0.985 17775 8919 1 15 . 1 1 80 80 THR CA C 355 64.970 64.970 65.368 -0.397 17775 8920 1 15 . 1 1 80 80 THR CB C 355 69.020 69.020 68.453 0.567 17775 8921 1 15 . 1 1 80 80 THR H H 355 7.930 7.930 8.112 -0.182 17775 8922 1 15 . 1 1 81 81 GLU N N 356 120.380 120.380 118.747 1.633 17775 8923 1 15 . 1 1 81 81 GLU HA H 356 4.090 4.090 4.180 -0.090 17775 8924 1 15 . 1 1 81 81 GLU C C 356 177.280 177.280 177.528 -0.248 17775 8925 1 15 . 1 1 81 81 GLU CA C 356 58.020 58.020 57.831 0.189 17775 8926 1 15 . 1 1 81 81 GLU CB C 356 29.490 29.490 29.746 -0.256 17775 8927 1 15 . 1 1 81 81 GLU H H 356 7.380 7.380 7.671 -0.291 17775 8928 1 15 . 1 1 82 82 MET N N 357 115.510 115.510 116.590 -1.080 17775 8929 1 15 . 1 1 82 82 MET HA H 357 4.480 4.480 4.300 0.180 17775 8930 1 15 . 1 1 82 82 MET C C 357 176.140 176.140 176.887 -0.747 17775 8931 1 15 . 1 1 82 82 MET CA C 357 54.810 54.810 55.982 -1.172 17775 8932 1 15 . 1 1 82 82 MET CB C 357 32.660 32.660 33.483 -0.823 17775 8933 1 15 . 1 1 82 82 MET H H 357 7.480 7.480 7.349 0.131 17775 8934 1 15 . 1 1 83 83 MET N N 358 119.530 119.530 118.176 1.354 17775 8935 1 15 . 1 1 83 83 MET HA H 358 4.020 4.020 4.295 -0.275 17775 8936 1 15 . 1 1 83 83 MET C C 358 175.670 175.670 176.416 -0.746 17775 8937 1 15 . 1 1 83 83 MET CA C 358 57.430 57.430 55.752 1.677 17775 8938 1 15 . 1 1 83 83 MET CB C 358 33.860 33.860 33.279 0.581 17775 8939 1 15 . 1 1 83 83 MET H H 358 7.010 7.010 7.328 -0.318 17775 8940 1 15 . 1 1 84 84 SER N N 359 119.110 119.110 119.030 0.080 17775 8941 1 15 . 1 1 84 84 SER HA H 359 4.300 4.300 4.570 -0.270 17775 8942 1 15 . 1 1 84 84 SER C C 359 176.160 176.160 175.308 0.852 17775 8943 1 15 . 1 1 84 84 SER CA C 359 59.170 59.170 57.644 1.526 17775 8944 1 15 . 1 1 84 84 SER CB C 359 64.540 64.540 64.513 0.027 17775 8945 1 15 . 1 1 84 84 SER H H 359 9.630 9.630 8.240 1.390 17775 8946 1 15 . 1 1 85 85 GLU N N 360 124.090 124.090 121.501 2.589 17775 8947 1 15 . 1 1 85 85 GLU CA C 360 58.880 58.880 58.889 -0.009 17775 8948 1 15 . 1 1 85 85 GLU CB C 360 29.560 29.560 29.505 0.055 17775 8949 1 15 . 1 1 85 85 GLU H H 360 8.810 8.810 9.041 -0.231 17775 8950 1 15 . 1 1 86 86 GLN HA H 361 4.220 4.220 4.185 0.035 17775 8951 1 15 . 1 1 86 86 GLN C C 361 176.370 176.370 177.032 -0.662 17775 8952 1 15 . 1 1 86 86 GLN CA C 361 58.440 58.440 58.026 0.414 17775 8953 1 15 . 1 1 86 86 GLN CB C 361 28.290 28.290 28.758 -0.468 17775 8954 1 15 . 1 1 87 87 ASP N N 362 118.700 118.700 118.270 0.430 17775 8955 1 15 . 1 1 87 87 ASP HA H 362 5.070 5.070 4.647 0.423 17775 8956 1 15 . 1 1 87 87 ASP C C 362 176.740 176.740 176.342 0.398 17775 8957 1 15 . 1 1 87 87 ASP CA C 362 53.710 53.710 53.057 0.653 17775 8958 1 15 . 1 1 87 87 ASP CB C 362 40.980 40.980 40.899 0.081 17775 8959 1 15 . 1 1 87 87 ASP H H 362 7.640 7.640 7.537 0.103 17775 8960 1 15 . 1 1 88 88 GLY N N 363 110.410 110.410 109.149 1.261 17775 8961 1 15 . 1 1 88 88 GLY CA C 363 47.890 47.890 47.429 0.461 17775 8962 1 15 . 1 1 88 88 GLY H H 363 7.940 7.940 8.124 -0.184 17775 8963 1 15 . 1 1 89 89 TYR HA H 364 4.430 4.430 4.591 -0.161 17775 8964 1 15 . 1 1 89 89 TYR C C 364 177.600 177.600 177.812 -0.212 17775 8965 1 15 . 1 1 89 89 TYR CA C 364 59.970 59.970 58.843 1.127 17775 8966 1 15 . 1 1 89 89 TYR CB C 364 37.100 37.100 37.100 -0.000 17775 8967 1 15 . 1 1 89 89 TYR H H 364 8.470 8.470 8.264 0.206 17775 8968 1 15 . 1 1 90 90 LEU N N 365 124.000 124.000 119.797 4.203 17775 8969 1 15 . 1 1 90 90 LEU HA H 365 3.920 3.920 3.988 -0.068 17775 8970 1 15 . 1 1 90 90 LEU C C 365 178.180 178.180 178.579 -0.399 17775 8971 1 15 . 1 1 90 90 LEU CA C 365 57.050 57.050 56.456 0.594 17775 8972 1 15 . 1 1 90 90 LEU CB C 365 41.930 41.930 41.514 0.416 17775 8973 1 15 . 1 1 90 90 LEU H H 365 7.080 7.080 6.808 0.272 17775 8974 1 15 . 1 1 91 91 ALA N N 366 123.150 123.150 122.221 0.929 17775 8975 1 15 . 1 1 91 91 ALA HA H 366 3.790 3.790 3.965 -0.175 17775 8976 1 15 . 1 1 91 91 ALA C C 366 179.610 179.610 179.621 -0.011 17775 8977 1 15 . 1 1 91 91 ALA CA C 366 55.910 55.910 54.764 1.145 17775 8978 1 15 . 1 1 91 91 ALA CB C 366 18.450 18.450 18.271 0.179 17775 8979 1 15 . 1 1 91 91 ALA H H 366 7.880 7.880 7.588 0.292 17775 8980 1 15 . 1 1 92 92 GLU N N 367 116.750 116.750 118.331 -1.581 17775 8981 1 15 . 1 1 92 92 GLU HA H 367 4.010 4.010 3.954 0.056 17775 8982 1 15 . 1 1 92 92 GLU C C 367 177.910 177.910 179.139 -1.229 17775 8983 1 15 . 1 1 92 92 GLU CA C 367 59.420 59.420 59.648 -0.228 17775 8984 1 15 . 1 1 92 92 GLU CB C 367 29.620 29.620 29.387 0.233 17775 8985 1 15 . 1 1 92 92 GLU H H 367 8.100 8.100 8.594 -0.494 17775 8986 1 15 . 1 1 93 93 SER N N 368 115.480 115.480 115.257 0.223 17775 8987 1 15 . 1 1 93 93 SER HA H 368 4.060 4.060 4.178 -0.118 17775 8988 1 15 . 1 1 93 93 SER C C 368 176.360 176.360 176.464 -0.104 17775 8989 1 15 . 1 1 93 93 SER CA C 368 61.610 61.610 61.537 0.073 17775 8990 1 15 . 1 1 93 93 SER CB C 368 63.080 63.080 63.085 -0.005 17775 8991 1 15 . 1 1 93 93 SER H H 368 7.520 7.520 7.513 0.007 17775 8992 1 15 . 1 1 94 94 ILE N N 369 121.710 121.710 122.249 -0.539 17775 8993 1 15 . 1 1 94 94 ILE HA H 369 4.000 4.000 3.985 0.015 17775 8994 1 15 . 1 1 94 94 ILE C C 369 178.000 178.000 177.756 0.244 17775 8995 1 15 . 1 1 94 94 ILE CA C 369 65.470 65.470 64.805 0.665 17775 8996 1 15 . 1 1 94 94 ILE CB C 369 38.030 38.030 37.543 0.487 17775 8997 1 15 . 1 1 94 94 ILE H H 369 8.400 8.400 7.443 0.957 17775 8998 1 15 . 1 1 95 95 ASN N N 370 117.810 117.810 118.776 -0.966 17775 8999 1 15 . 1 1 95 95 ASN HA H 370 4.290 4.290 4.409 -0.119 17775 9000 1 15 . 1 1 95 95 ASN C C 370 179.730 179.730 177.486 2.244 17775 9001 1 15 . 1 1 95 95 ASN CA C 370 57.340 57.340 56.221 1.119 17775 9002 1 15 . 1 1 95 95 ASN CB C 370 38.280 38.280 37.965 0.315 17775 9003 1 15 . 1 1 95 95 ASN H H 370 8.270 8.270 8.141 0.129 17775 9004 1 15 . 1 1 96 96 LYS N N 371 121.220 121.220 120.920 0.300 17775 9005 1 15 . 1 1 96 96 LYS HA H 371 4.090 4.090 4.002 0.088 17775 9006 1 15 . 1 1 96 96 LYS C C 371 179.250 179.250 178.392 0.858 17775 9007 1 15 . 1 1 96 96 LYS CA C 371 59.650 59.650 59.506 0.144 17775 9008 1 15 . 1 1 96 96 LYS CB C 371 31.730 31.730 32.421 -0.691 17775 9009 1 15 . 1 1 96 96 LYS H H 371 7.960 7.960 7.889 0.071 17775 9010 1 15 . 1 1 97 97 ASP N N 372 122.870 122.870 119.400 3.470 17775 9011 1 15 . 1 1 97 97 ASP HA H 372 4.060 4.060 4.418 -0.358 17775 9012 1 15 . 1 1 97 97 ASP C C 372 179.300 179.300 178.851 0.449 17775 9013 1 15 . 1 1 97 97 ASP CA C 372 58.400 58.400 57.530 0.870 17775 9014 1 15 . 1 1 97 97 ASP CB C 372 41.130 41.130 40.650 0.480 17775 9015 1 15 . 1 1 97 97 ASP H H 372 7.920 7.920 7.778 0.142 17775 9016 1 15 . 1 1 98 98 ILE N N 373 123.090 123.090 116.392 6.698 17775 9017 1 15 . 1 1 98 98 ILE HA H 373 3.620 3.620 3.768 -0.148 17775 9018 1 15 . 1 1 98 98 ILE C C 373 178.330 178.330 177.635 0.695 17775 9019 1 15 . 1 1 98 98 ILE CA C 373 65.080 65.080 64.752 0.328 17775 9020 1 15 . 1 1 98 98 ILE CB C 373 37.260 37.260 37.408 -0.148 17775 9021 1 15 . 1 1 98 98 ILE H H 373 8.720 8.720 7.701 1.019 17775 9022 1 15 . 1 1 99 99 GLU N N 374 120.550 120.550 121.045 -0.495 17775 9023 1 15 . 1 1 99 99 GLU HA H 374 4.120 4.120 3.884 0.236 17775 9024 1 15 . 1 1 99 99 GLU C C 374 179.740 179.740 178.592 1.148 17775 9025 1 15 . 1 1 99 99 GLU CA C 374 59.570 59.570 59.860 -0.290 17775 9026 1 15 . 1 1 99 99 GLU CB C 374 28.910 28.910 29.424 -0.514 17775 9027 1 15 . 1 1 99 99 GLU H H 374 8.100 8.100 8.046 0.054 17775 9028 1 15 . 1 1 100 100 GLU N N 375 122.040 122.040 119.916 2.124 17775 9029 1 15 . 1 1 100 100 GLU HA H 375 4.140 4.140 4.051 0.089 17775 9030 1 15 . 1 1 100 100 GLU C C 375 178.810 178.810 178.889 -0.079 17775 9031 1 15 . 1 1 100 100 GLU CA C 375 59.830 59.830 59.322 0.508 17775 9032 1 15 . 1 1 100 100 GLU CB C 375 29.220 29.220 29.584 -0.364 17775 9033 1 15 . 1 1 100 100 GLU H H 375 8.060 8.060 7.775 0.285 17775 9034 1 15 . 1 1 101 101 CYS N N 376 117.330 117.330 117.600 -0.270 17775 9035 1 15 . 1 1 101 101 CYS HA H 376 3.960 3.960 4.002 -0.042 17775 9036 1 15 . 1 1 101 101 CYS C C 376 176.540 176.540 176.960 -0.420 17775 9037 1 15 . 1 1 101 101 CYS CA C 376 64.510 64.510 64.004 0.506 17775 9038 1 15 . 1 1 101 101 CYS CB C 376 27.270 27.270 27.457 -0.187 17775 9039 1 15 . 1 1 101 101 CYS H H 376 8.130 8.130 7.926 0.204 17775 9040 1 15 . 1 1 102 102 ASN N N 377 117.140 117.140 118.250 -1.110 17775 9041 1 15 . 1 1 102 102 ASN HA H 377 4.290 4.290 4.404 -0.114 17775 9042 1 15 . 1 1 102 102 ASN C C 377 176.980 176.980 176.879 0.101 17775 9043 1 15 . 1 1 102 102 ASN CA C 377 56.460 56.460 56.247 0.213 17775 9044 1 15 . 1 1 102 102 ASN CB C 377 38.440 38.440 38.308 0.132 17775 9045 1 15 . 1 1 102 102 ASN H H 377 8.430 8.430 7.934 0.496 17775 9046 1 15 . 1 1 103 103 ALA N N 378 123.350 123.350 122.675 0.675 17775 9047 1 15 . 1 1 103 103 ALA HA H 378 4.130 4.130 4.051 0.079 17775 9048 1 15 . 1 1 103 103 ALA C C 378 180.510 180.510 179.782 0.728 17775 9049 1 15 . 1 1 103 103 ALA CA C 378 55.120 55.120 55.108 0.012 17775 9050 1 15 . 1 1 103 103 ALA CB C 378 17.960 17.960 18.334 -0.374 17775 9051 1 15 . 1 1 103 103 ALA H H 378 8.130 8.130 7.787 0.343 17775 9052 1 15 . 1 1 104 104 ILE N N 379 120.880 120.880 119.424 1.456 17775 9053 1 15 . 1 1 104 104 ILE HA H 379 3.680 3.680 3.702 -0.022 17775 9054 1 15 . 1 1 104 104 ILE C C 379 178.260 178.260 178.639 -0.379 17775 9055 1 15 . 1 1 104 104 ILE CA C 379 64.860 64.860 65.621 -0.761 17775 9056 1 15 . 1 1 104 104 ILE CB C 379 38.080 38.080 38.094 -0.014 17775 9057 1 15 . 1 1 104 104 ILE H H 379 8.010 8.010 7.718 0.291 17775 9058 1 15 . 1 1 105 105 ILE N N 380 119.970 119.970 120.043 -0.073 17775 9059 1 15 . 1 1 105 105 ILE HA H 380 3.430 3.430 3.723 -0.293 17775 9060 1 15 . 1 1 105 105 ILE C C 380 177.660 177.660 178.191 -0.531 17775 9061 1 15 . 1 1 105 105 ILE CA C 380 65.490 65.490 65.998 -0.507 17775 9062 1 15 . 1 1 105 105 ILE CB C 380 38.060 38.060 37.486 0.574 17775 9063 1 15 . 1 1 105 105 ILE H H 380 8.060 8.060 7.736 0.324 17775 9064 1 15 . 1 1 106 106 GLU N N 381 118.640 118.640 119.113 -0.473 17775 9065 1 15 . 1 1 106 106 GLU HA H 381 3.970 3.970 3.897 0.073 17775 9066 1 15 . 1 1 106 106 GLU C C 381 178.440 178.440 179.244 -0.804 17775 9067 1 15 . 1 1 106 106 GLU CA C 381 59.260 59.260 59.929 -0.669 17775 9068 1 15 . 1 1 106 106 GLU CB C 381 29.570 29.570 29.379 0.191 17775 9069 1 15 . 1 1 106 106 GLU H H 381 8.140 8.140 7.992 0.148 17775 9070 1 15 . 1 1 107 107 GLN N N 382 117.770 117.770 118.858 -1.088 17775 9071 1 15 . 1 1 107 107 GLN HA H 382 4.040 4.040 4.085 -0.045 17775 9072 1 15 . 1 1 107 107 GLN C C 382 177.550 177.550 178.563 -1.013 17775 9073 1 15 . 1 1 107 107 GLN CA C 382 58.170 58.170 58.818 -0.648 17775 9074 1 15 . 1 1 107 107 GLN CB C 382 28.770 28.770 28.634 0.136 17775 9075 1 15 . 1 1 107 107 GLN H H 382 7.710 7.710 7.861 -0.151 17775 9076 1 15 . 1 1 108 108 PHE N N 383 118.750 118.750 119.494 -0.744 17775 9077 1 15 . 1 1 108 108 PHE HA H 383 4.490 4.490 4.129 0.361 17775 9078 1 15 . 1 1 108 108 PHE C C 383 176.570 176.570 177.970 -1.400 17775 9079 1 15 . 1 1 108 108 PHE CA C 383 59.360 59.360 62.479 -3.119 17775 9080 1 15 . 1 1 108 108 PHE CB C 383 38.760 38.760 38.819 -0.059 17775 9081 1 15 . 1 1 108 108 PHE H H 383 7.880 7.880 7.846 0.034 17775 9082 1 15 . 1 1 109 109 ILE N N 384 118.200 118.200 119.117 -0.917 17775 9083 1 15 . 1 1 109 109 ILE HA H 384 3.720 3.720 3.844 -0.124 17775 9084 1 15 . 1 1 109 109 ILE C C 384 177.450 177.450 177.150 0.300 17775 9085 1 15 . 1 1 109 109 ILE CA C 384 64.280 64.280 64.742 -0.462 17775 9086 1 15 . 1 1 109 109 ILE CB C 384 37.870 37.870 37.813 0.057 17775 9087 1 15 . 1 1 109 109 ILE H H 384 7.950 7.950 7.693 0.257 17775 9088 1 15 . 1 1 110 110 ASP N N 385 119.750 119.750 118.619 1.131 17775 9089 1 15 . 1 1 110 110 ASP HA H 385 4.440 4.440 4.423 0.017 17775 9090 1 15 . 1 1 110 110 ASP C C 385 177.620 177.620 179.117 -1.497 17775 9091 1 15 . 1 1 110 110 ASP CA C 385 56.500 56.500 57.191 -0.691 17775 9092 1 15 . 1 1 110 110 ASP CB C 385 40.860 40.860 41.211 -0.351 17775 9093 1 15 . 1 1 110 110 ASP H H 385 7.840 7.840 7.940 -0.100 17775 9094 1 15 . 1 1 111 111 TYR N N 386 118.370 118.370 118.617 -0.247 17775 9095 1 15 . 1 1 111 111 TYR HA H 386 4.430 4.430 4.304 0.126 17775 9096 1 15 . 1 1 111 111 TYR C C 386 176.320 176.320 176.876 -0.556 17775 9097 1 15 . 1 1 111 111 TYR CA C 386 58.940 58.940 60.065 -1.125 17775 9098 1 15 . 1 1 111 111 TYR CB C 386 38.440 38.440 38.925 -0.485 17775 9099 1 15 . 1 1 111 111 TYR H H 386 7.760 7.760 7.968 -0.208 17775 9100 1 15 . 1 1 112 112 LEU N N 387 119.730 119.730 120.040 -0.310 17775 9101 1 15 . 1 1 112 112 LEU HA H 387 4.230 4.230 4.388 -0.159 17775 9102 1 15 . 1 1 112 112 LEU C C 387 175.900 175.900 175.272 0.628 17775 9103 1 15 . 1 1 112 112 LEU CA C 387 55.090 55.090 54.897 0.193 17775 9104 1 15 . 1 1 112 112 LEU CB C 387 42.670 42.670 42.455 0.215 17775 9105 1 15 . 1 1 112 112 LEU H H 387 7.660 7.660 7.691 -0.031 17775 9106 1 16 . 1 1 5 5 ILE HA H 280 4.190 4.190 3.885 0.305 17775 9107 1 16 . 1 1 5 5 ILE CA C 280 61.650 61.650 63.848 -2.198 17775 9108 1 16 . 1 1 5 5 ILE CB C 280 38.520 38.520 37.789 0.731 17775 9109 1 16 . 1 1 6 6 THR HA H 281 4.340 4.340 3.927 0.413 17775 9110 1 16 . 1 1 6 6 THR CA C 281 62.680 62.680 66.376 -3.696 17775 9111 1 16 . 1 1 6 6 THR CB C 281 69.630 69.630 68.494 1.136 17775 9112 1 16 . 1 1 8 8 PRO HA H 283 4.230 4.230 4.479 -0.248 17775 9113 1 16 . 1 1 8 8 PRO CA C 283 65.940 65.940 65.748 0.192 17775 9114 1 16 . 1 1 8 8 PRO CB C 283 30.730 30.730 30.784 -0.054 17775 9115 1 16 . 1 1 9 9 ILE N N 284 115.670 115.670 117.900 -2.230 17775 9116 1 16 . 1 1 9 9 ILE HA H 284 3.420 3.420 3.850 -0.430 17775 9117 1 16 . 1 1 9 9 ILE C C 284 177.820 177.820 178.191 -0.371 17775 9118 1 16 . 1 1 9 9 ILE CA C 284 65.540 65.540 63.921 1.619 17775 9119 1 16 . 1 1 9 9 ILE CB C 284 36.810 36.810 36.728 0.082 17775 9120 1 16 . 1 1 9 9 ILE H H 284 7.300 7.300 7.327 -0.027 17775 9121 1 16 . 1 1 10 10 ILE N N 285 121.880 121.880 121.144 0.736 17775 9122 1 16 . 1 1 10 10 ILE HA H 285 3.800 3.800 3.838 -0.039 17775 9123 1 16 . 1 1 10 10 ILE C C 285 177.690 177.690 179.020 -1.330 17775 9124 1 16 . 1 1 10 10 ILE CA C 285 62.880 62.880 63.206 -0.327 17775 9125 1 16 . 1 1 10 10 ILE CB C 285 36.560 36.560 36.471 0.089 17775 9126 1 16 . 1 1 10 10 ILE H H 285 7.880 7.880 7.549 0.331 17775 9127 1 16 . 1 1 11 11 GLU N N 286 120.580 120.580 120.138 0.442 17775 9128 1 16 . 1 1 11 11 GLU HA H 286 4.080 4.080 4.101 -0.021 17775 9129 1 16 . 1 1 11 11 GLU C C 286 180.980 180.980 179.674 1.306 17775 9130 1 16 . 1 1 11 11 GLU CA C 286 59.630 59.630 59.624 0.006 17775 9131 1 16 . 1 1 11 11 GLU CB C 286 29.550 29.550 29.401 0.149 17775 9132 1 16 . 1 1 11 11 GLU H H 286 8.450 8.450 7.804 0.646 17775 9133 1 16 . 1 1 12 12 LEU N N 287 121.340 121.340 119.571 1.769 17775 9134 1 16 . 1 1 12 12 LEU HA H 287 4.010 4.010 4.051 -0.041 17775 9135 1 16 . 1 1 12 12 LEU C C 287 178.030 178.030 179.057 -1.027 17775 9136 1 16 . 1 1 12 12 LEU CA C 287 58.310 58.310 58.201 0.109 17775 9137 1 16 . 1 1 12 12 LEU CB C 287 42.050 42.050 41.895 0.155 17775 9138 1 16 . 1 1 12 12 LEU H H 287 8.490 8.490 8.075 0.415 17775 9139 1 16 . 1 1 13 13 SER N N 288 117.590 117.590 115.095 2.495 17775 9140 1 16 . 1 1 13 13 SER HA H 288 4.190 4.190 4.045 0.145 17775 9141 1 16 . 1 1 13 13 SER C C 288 175.660 175.660 176.935 -1.275 17775 9142 1 16 . 1 1 13 13 SER CA C 288 61.670 61.670 61.741 -0.071 17775 9143 1 16 . 1 1 13 13 SER CB C 288 62.490 62.490 62.866 -0.376 17775 9144 1 16 . 1 1 13 13 SER H H 288 8.330 8.330 8.198 0.132 17775 9145 1 16 . 1 1 14 14 ASN N N 289 119.150 119.150 121.373 -2.223 17775 9146 1 16 . 1 1 14 14 ASN HA H 289 4.450 4.450 4.538 -0.088 17775 9147 1 16 . 1 1 14 14 ASN C C 289 178.480 178.480 177.935 0.545 17775 9148 1 16 . 1 1 14 14 ASN CA C 289 55.870 55.870 55.871 -0.001 17775 9149 1 16 . 1 1 14 14 ASN CB C 289 38.090 38.090 38.304 -0.214 17775 9150 1 16 . 1 1 14 14 ASN H H 289 8.650 8.650 8.207 0.443 17775 9151 1 16 . 1 1 15 15 THR N N 290 117.650 117.650 117.686 -0.036 17775 9152 1 16 . 1 1 15 15 THR HA H 290 3.830 3.830 3.935 -0.105 17775 9153 1 16 . 1 1 15 15 THR C C 290 175.030 175.030 176.033 -1.003 17775 9154 1 16 . 1 1 15 15 THR CA C 290 67.790 67.790 67.084 0.706 17775 9155 1 16 . 1 1 15 15 THR CB C 290 68.660 68.660 68.762 -0.102 17775 9156 1 16 . 1 1 15 15 THR H H 290 8.040 8.040 8.074 -0.034 17775 9157 1 16 . 1 1 16 16 ALA N N 291 124.470 124.470 124.097 0.373 17775 9158 1 16 . 1 1 16 16 ALA HA H 291 3.850 3.850 3.904 -0.054 17775 9159 1 16 . 1 1 16 16 ALA C C 291 178.470 178.470 179.046 -0.576 17775 9160 1 16 . 1 1 16 16 ALA CA C 291 55.430 55.430 55.269 0.161 17775 9161 1 16 . 1 1 16 16 ALA CB C 291 17.820 17.820 18.195 -0.375 17775 9162 1 16 . 1 1 16 16 ALA H H 291 8.530 8.530 7.797 0.733 17775 9163 1 16 . 1 1 17 17 ASP N N 292 117.560 117.560 118.919 -1.359 17775 9164 1 16 . 1 1 17 17 ASP HA H 292 4.360 4.360 4.351 0.009 17775 9165 1 16 . 1 1 17 17 ASP C C 292 178.420 178.420 178.885 -0.465 17775 9166 1 16 . 1 1 17 17 ASP CA C 292 57.430 57.430 57.426 0.004 17775 9167 1 16 . 1 1 17 17 ASP CB C 292 40.130 40.130 40.373 -0.243 17775 9168 1 16 . 1 1 17 17 ASP H H 292 8.290 8.290 7.943 0.347 17775 9169 1 16 . 1 1 18 18 LYS N N 293 119.100 119.100 119.998 -0.898 17775 9170 1 16 . 1 1 18 18 LYS HA H 293 4.010 4.010 4.344 -0.334 17775 9171 1 16 . 1 1 18 18 LYS C C 293 180.170 180.170 179.101 1.069 17775 9172 1 16 . 1 1 18 18 LYS CA C 293 59.020 59.020 59.238 -0.218 17775 9173 1 16 . 1 1 18 18 LYS CB C 293 32.270 32.270 32.527 -0.257 17775 9174 1 16 . 1 1 18 18 LYS H H 293 7.690 7.690 7.488 0.202 17775 9175 1 16 . 1 1 19 19 ILE N N 294 122.510 122.510 119.894 2.616 17775 9176 1 16 . 1 1 19 19 ILE HA H 294 3.690 3.690 4.088 -0.398 17775 9177 1 16 . 1 1 19 19 ILE C C 294 178.920 178.920 178.727 0.193 17775 9178 1 16 . 1 1 19 19 ILE CA C 294 64.400 64.400 64.826 -0.425 17775 9179 1 16 . 1 1 19 19 ILE CB C 294 38.320 38.320 37.941 0.379 17775 9180 1 16 . 1 1 19 19 ILE H H 294 8.220 8.220 7.716 0.504 17775 9181 1 16 . 1 1 20 20 ALA N N 295 123.270 123.270 122.010 1.260 17775 9182 1 16 . 1 1 20 20 ALA HA H 295 3.850 3.850 4.070 -0.220 17775 9183 1 16 . 1 1 20 20 ALA C C 295 179.390 179.390 179.010 0.380 17775 9184 1 16 . 1 1 20 20 ALA CA C 295 55.370 55.370 54.836 0.534 17775 9185 1 16 . 1 1 20 20 ALA CB C 295 17.880 17.880 18.362 -0.482 17775 9186 1 16 . 1 1 20 20 ALA H H 295 8.580 8.580 7.819 0.761 17775 9187 1 16 . 1 1 21 21 GLU N N 296 115.530 115.530 116.369 -0.839 17775 9188 1 16 . 1 1 21 21 GLU HA H 296 4.160 4.160 4.176 -0.016 17775 9189 1 16 . 1 1 21 21 GLU C C 296 176.560 176.560 177.674 -1.114 17775 9190 1 16 . 1 1 21 21 GLU CA C 296 56.400 56.400 56.431 -0.031 17775 9191 1 16 . 1 1 21 21 GLU CB C 296 29.830 29.830 29.660 0.170 17775 9192 1 16 . 1 1 21 21 GLU H H 296 7.680 7.680 7.771 -0.091 17775 9193 1 16 . 1 1 22 22 GLY N N 297 105.910 105.910 107.619 -1.709 17775 9194 1 16 . 1 1 22 22 GLY C C 297 174.160 174.160 174.385 -0.225 17775 9195 1 16 . 1 1 22 22 GLY CA C 297 45.040 45.040 44.652 0.388 17775 9196 1 16 . 1 1 22 22 GLY H H 297 7.820 7.820 7.997 -0.177 17775 9197 1 16 . 1 1 23 23 ASN N N 298 120.260 120.260 121.557 -1.297 17775 9198 1 16 . 1 1 23 23 ASN HA H 298 4.960 4.960 4.975 -0.015 17775 9199 1 16 . 1 1 23 23 ASN C C 298 174.560 174.560 176.087 -1.527 17775 9200 1 16 . 1 1 23 23 ASN CA C 298 51.800 51.800 51.775 0.025 17775 9201 1 16 . 1 1 23 23 ASN CB C 298 36.750 36.750 37.352 -0.602 17775 9202 1 16 . 1 1 23 23 ASN H H 298 8.070 8.070 8.078 -0.008 17775 9203 1 16 . 1 1 24 24 LEU N N 299 119.750 119.750 122.774 -3.024 17775 9204 1 16 . 1 1 24 24 LEU HA H 299 3.950 3.950 4.032 -0.082 17775 9205 1 16 . 1 1 24 24 LEU C C 299 176.390 176.390 177.992 -1.602 17775 9206 1 16 . 1 1 24 24 LEU CA C 299 56.250 56.250 57.812 -1.562 17775 9207 1 16 . 1 1 24 24 LEU CB C 299 41.260 41.260 41.570 -0.310 17775 9208 1 16 . 1 1 24 24 LEU H H 299 7.850 7.850 7.485 0.365 17775 9209 1 16 . 1 1 25 25 GLU N N 300 114.210 114.210 116.731 -2.521 17775 9210 1 16 . 1 1 25 25 GLU HA H 300 4.230 4.230 4.244 -0.014 17775 9211 1 16 . 1 1 25 25 GLU C C 300 176.050 176.050 176.107 -0.057 17775 9212 1 16 . 1 1 25 25 GLU CA C 300 55.640 55.640 56.218 -0.578 17775 9213 1 16 . 1 1 25 25 GLU CB C 300 29.410 29.410 29.076 0.334 17775 9214 1 16 . 1 1 25 25 GLU H H 300 7.840 7.840 8.430 -0.590 17775 9215 1 16 . 1 1 26 26 ALA N N 301 124.010 124.010 125.131 -1.121 17775 9216 1 16 . 1 1 26 26 ALA HA H 301 3.880 3.880 4.123 -0.243 17775 9217 1 16 . 1 1 26 26 ALA C C 301 175.390 175.390 176.959 -1.569 17775 9218 1 16 . 1 1 26 26 ALA CA C 301 52.890 52.890 52.537 0.353 17775 9219 1 16 . 1 1 26 26 ALA CB C 301 18.570 18.570 19.059 -0.489 17775 9220 1 16 . 1 1 26 26 ALA H H 301 6.770 6.770 7.204 -0.434 17775 9221 1 16 . 1 1 27 27 GLU N N 302 120.120 120.120 123.193 -3.073 17775 9222 1 16 . 1 1 27 27 GLU HA H 302 4.080 4.080 4.231 -0.151 17775 9223 1 16 . 1 1 27 27 GLU C C 302 176.510 176.510 176.410 0.100 17775 9224 1 16 . 1 1 27 27 GLU CA C 302 55.150 55.150 56.115 -0.965 17775 9225 1 16 . 1 1 27 27 GLU CB C 302 30.160 30.160 30.214 -0.054 17775 9226 1 16 . 1 1 27 27 GLU H H 302 7.880 7.880 8.349 -0.469 17775 9227 1 16 . 1 1 28 28 VAL N N 303 129.020 129.020 125.144 3.876 17775 9228 1 16 . 1 1 28 28 VAL HA H 303 4.230 4.230 4.162 0.068 17775 9229 1 16 . 1 1 28 28 VAL CA C 303 60.440 60.440 60.976 -0.536 17775 9230 1 16 . 1 1 28 28 VAL CB C 303 31.760 31.760 31.852 -0.092 17775 9231 1 16 . 1 1 28 28 VAL H H 303 8.890 8.890 8.073 0.817 17775 9232 1 16 . 1 1 29 29 PRO HA H 304 4.400 4.400 4.546 -0.146 17775 9233 1 16 . 1 1 29 29 PRO CA C 304 62.790 62.790 62.086 0.704 17775 9234 1 16 . 1 1 29 29 PRO CB C 304 32.120 32.120 32.718 -0.598 17775 9235 1 16 . 1 1 30 30 HIS N N 305 103.640 103.640 113.485 -9.845 17775 9236 1 16 . 1 1 30 30 HIS HA H 305 4.210 4.210 4.213 -0.003 17775 9237 1 16 . 1 1 30 30 HIS C C 305 175.590 175.590 176.753 -1.163 17775 9238 1 16 . 1 1 30 30 HIS CA C 305 57.950 57.950 57.455 0.495 17775 9239 1 16 . 1 1 30 30 HIS CB C 305 27.910 27.910 27.216 0.694 17775 9240 1 16 . 1 1 30 30 HIS H H 305 7.780 7.780 8.363 -0.583 17775 9241 1 16 . 1 1 31 31 GLN N N 306 114.840 114.840 117.962 -3.122 17775 9242 1 16 . 1 1 31 31 GLN HA H 306 3.990 3.990 4.030 -0.040 17775 9243 1 16 . 1 1 31 31 GLN C C 306 176.290 176.290 177.091 -0.801 17775 9244 1 16 . 1 1 31 31 GLN CA C 306 58.680 58.680 59.159 -0.479 17775 9245 1 16 . 1 1 31 31 GLN CB C 306 30.630 30.630 28.895 1.736 17775 9246 1 16 . 1 1 31 31 GLN H H 306 8.010 8.010 8.390 -0.380 17775 9247 1 16 . 1 1 32 32 ASN N N 307 113.230 113.230 114.507 -1.277 17775 9248 1 16 . 1 1 32 32 ASN HA H 307 4.640 4.640 4.636 0.004 17775 9249 1 16 . 1 1 32 32 ASN C C 307 175.610 175.610 175.649 -0.039 17775 9250 1 16 . 1 1 32 32 ASN CA C 307 52.800 52.800 53.680 -0.880 17775 9251 1 16 . 1 1 32 32 ASN CB C 307 37.630 37.630 38.324 -0.694 17775 9252 1 16 . 1 1 32 32 ASN H H 307 8.360 8.360 8.423 -0.063 17775 9253 1 16 . 1 1 33 33 ARG N N 308 119.580 119.580 120.648 -1.068 17775 9254 1 16 . 1 1 33 33 ARG HA H 308 4.140 4.140 4.281 -0.141 17775 9255 1 16 . 1 1 33 33 ARG CA C 308 56.950 56.950 56.651 0.299 17775 9256 1 16 . 1 1 33 33 ARG CB C 308 33.030 33.030 30.947 2.083 17775 9257 1 16 . 1 1 33 33 ARG H H 308 7.160 7.160 7.425 -0.265 17775 9258 1 16 . 1 1 34 34 ALA HA H 309 4.530 4.530 4.289 0.241 17775 9259 1 16 . 1 1 34 34 ALA C C 309 176.610 176.610 177.064 -0.454 17775 9260 1 16 . 1 1 34 34 ALA CA C 309 51.650 51.650 52.661 -1.011 17775 9261 1 16 . 1 1 34 34 ALA CB C 309 18.830 18.830 19.199 -0.369 17775 9262 1 16 . 1 1 35 35 ASP N N 310 117.680 117.680 118.958 -1.278 17775 9263 1 16 . 1 1 35 35 ASP HA H 310 4.660 4.660 4.640 0.020 17775 9264 1 16 . 1 1 35 35 ASP C C 310 176.740 176.740 177.116 -0.376 17775 9265 1 16 . 1 1 35 35 ASP CA C 310 52.240 52.240 52.960 -0.720 17775 9266 1 16 . 1 1 35 35 ASP CB C 310 41.580 41.580 40.625 0.955 17775 9267 1 16 . 1 1 35 35 ASP H H 310 7.460 7.460 7.706 -0.246 17775 9268 1 16 . 1 1 36 36 GLU N N 311 118.110 118.110 117.374 0.736 17775 9269 1 16 . 1 1 36 36 GLU HA H 311 3.870 3.870 4.050 -0.180 17775 9270 1 16 . 1 1 36 36 GLU C C 311 177.440 177.440 178.435 -0.995 17775 9271 1 16 . 1 1 36 36 GLU CA C 311 60.460 60.460 59.852 0.608 17775 9272 1 16 . 1 1 36 36 GLU CB C 311 27.660 27.660 29.393 -1.733 17775 9273 1 16 . 1 1 36 36 GLU H H 311 9.910 9.910 8.645 1.265 17775 9274 1 16 . 1 1 37 37 ILE N N 312 118.790 118.790 119.370 -0.580 17775 9275 1 16 . 1 1 37 37 ILE HA H 312 3.570 3.570 3.868 -0.298 17775 9276 1 16 . 1 1 37 37 ILE C C 312 177.460 177.460 178.156 -0.696 17775 9277 1 16 . 1 1 37 37 ILE CA C 312 63.170 63.170 62.761 0.409 17775 9278 1 16 . 1 1 37 37 ILE CB C 312 35.770 35.770 36.577 -0.807 17775 9279 1 16 . 1 1 37 37 ILE H H 312 7.420 7.420 7.595 -0.175 17775 9280 1 16 . 1 1 38 38 GLY N N 313 108.320 108.320 109.230 -0.910 17775 9281 1 16 . 1 1 38 38 GLY C C 313 176.200 176.200 176.177 0.023 17775 9282 1 16 . 1 1 38 38 GLY CA C 313 47.090 47.090 47.375 -0.285 17775 9283 1 16 . 1 1 38 38 GLY H H 313 7.510 7.510 7.917 -0.407 17775 9284 1 16 . 1 1 39 39 ILE N N 314 121.890 121.890 122.565 -0.675 17775 9285 1 16 . 1 1 39 39 ILE HA H 314 3.630 3.630 3.685 -0.055 17775 9286 1 16 . 1 1 39 39 ILE C C 314 179.070 179.070 177.544 1.526 17775 9287 1 16 . 1 1 39 39 ILE CA C 314 64.750 64.750 65.035 -0.285 17775 9288 1 16 . 1 1 39 39 ILE CB C 314 37.610 37.610 37.961 -0.351 17775 9289 1 16 . 1 1 39 39 ILE H H 314 7.390 7.390 7.697 -0.307 17775 9290 1 16 . 1 1 40 40 LEU N N 315 121.370 121.370 121.446 -0.076 17775 9291 1 16 . 1 1 40 40 LEU HA H 315 4.120 4.120 4.067 0.053 17775 9292 1 16 . 1 1 40 40 LEU C C 315 178.560 178.560 178.235 0.325 17775 9293 1 16 . 1 1 40 40 LEU CA C 315 57.620 57.620 57.776 -0.156 17775 9294 1 16 . 1 1 40 40 LEU CB C 315 41.490 41.490 41.553 -0.063 17775 9295 1 16 . 1 1 40 40 LEU H H 315 7.770 7.770 7.815 -0.045 17775 9296 1 16 . 1 1 41 41 ALA N N 316 123.480 123.480 121.737 1.743 17775 9297 1 16 . 1 1 41 41 ALA HA H 316 3.840 3.840 3.956 -0.116 17775 9298 1 16 . 1 1 41 41 ALA C C 316 179.700 179.700 179.610 0.090 17775 9299 1 16 . 1 1 41 41 ALA CA C 316 56.180 56.180 55.481 0.699 17775 9300 1 16 . 1 1 41 41 ALA CB C 316 19.870 19.870 18.405 1.465 17775 9301 1 16 . 1 1 41 41 ALA H H 316 9.020 9.020 8.139 0.881 17775 9302 1 16 . 1 1 42 42 LYS N N 317 116.890 116.890 118.494 -1.604 17775 9303 1 16 . 1 1 42 42 LYS HA H 317 3.900 3.900 3.991 -0.091 17775 9304 1 16 . 1 1 42 42 LYS C C 317 179.730 179.730 179.176 0.554 17775 9305 1 16 . 1 1 42 42 LYS CA C 317 60.430 60.430 59.541 0.889 17775 9306 1 16 . 1 1 42 42 LYS H H 317 8.320 8.320 8.089 0.231 17775 9307 1 16 . 1 1 43 43 SER N N 318 119.130 119.130 115.667 3.463 17775 9308 1 16 . 1 1 43 43 SER HA H 318 4.340 4.340 4.207 0.133 17775 9309 1 16 . 1 1 43 43 SER C C 318 177.430 177.430 176.682 0.748 17775 9310 1 16 . 1 1 43 43 SER CA C 318 62.630 62.630 61.860 0.770 17775 9311 1 16 . 1 1 43 43 SER CB C 318 63.050 63.050 62.907 0.143 17775 9312 1 16 . 1 1 43 43 SER H H 318 8.060 8.060 7.993 0.067 17775 9313 1 16 . 1 1 44 44 ILE N N 319 124.020 124.020 122.819 1.201 17775 9314 1 16 . 1 1 44 44 ILE HA H 319 3.640 3.640 3.666 -0.026 17775 9315 1 16 . 1 1 44 44 ILE C C 319 177.190 177.190 177.944 -0.754 17775 9316 1 16 . 1 1 44 44 ILE CA C 319 65.020 65.020 65.111 -0.091 17775 9317 1 16 . 1 1 44 44 ILE CB C 319 36.790 36.790 37.657 -0.867 17775 9318 1 16 . 1 1 44 44 ILE H H 319 8.250 8.250 7.607 0.643 17775 9319 1 16 . 1 1 45 45 GLU N N 320 123.090 123.090 120.665 2.425 17775 9320 1 16 . 1 1 45 45 GLU HA H 320 4.600 4.600 3.964 0.636 17775 9321 1 16 . 1 1 45 45 GLU C C 320 178.190 178.190 178.646 -0.456 17775 9322 1 16 . 1 1 45 45 GLU CA C 320 58.430 58.430 59.394 -0.964 17775 9323 1 16 . 1 1 45 45 GLU CB C 320 27.700 27.700 29.232 -1.532 17775 9324 1 16 . 1 1 45 45 GLU H H 320 8.390 8.390 8.175 0.215 17775 9325 1 16 . 1 1 46 46 ARG N N 321 119.760 119.760 119.273 0.487 17775 9326 1 16 . 1 1 46 46 ARG HA H 321 3.930 3.930 4.049 -0.119 17775 9327 1 16 . 1 1 46 46 ARG C C 321 179.950 179.950 179.067 0.883 17775 9328 1 16 . 1 1 46 46 ARG CA C 321 60.440 60.440 59.379 1.061 17775 9329 1 16 . 1 1 46 46 ARG CB C 321 29.770 29.770 30.136 -0.366 17775 9330 1 16 . 1 1 46 46 ARG H H 321 8.000 8.000 7.882 0.118 17775 9331 1 16 . 1 1 47 47 LEU N N 322 121.360 121.360 119.293 2.067 17775 9332 1 16 . 1 1 47 47 LEU HA H 322 4.020 4.020 4.035 -0.015 17775 9333 1 16 . 1 1 47 47 LEU C C 322 178.040 178.040 178.766 -0.726 17775 9334 1 16 . 1 1 47 47 LEU CA C 322 58.550 58.550 57.889 0.660 17775 9335 1 16 . 1 1 47 47 LEU CB C 322 41.650 41.650 41.475 0.175 17775 9336 1 16 . 1 1 47 47 LEU H H 322 7.870 7.870 7.920 -0.050 17775 9337 1 16 . 1 1 48 48 ARG N N 323 121.390 121.390 119.579 1.811 17775 9338 1 16 . 1 1 48 48 ARG HA H 323 3.690 3.690 3.933 -0.243 17775 9339 1 16 . 1 1 48 48 ARG C C 323 178.120 178.120 178.514 -0.394 17775 9340 1 16 . 1 1 48 48 ARG CA C 323 60.630 60.630 59.826 0.804 17775 9341 1 16 . 1 1 48 48 ARG CB C 323 30.230 30.230 29.988 0.242 17775 9342 1 16 . 1 1 48 48 ARG H H 323 8.730 8.730 7.844 0.886 17775 9343 1 16 . 1 1 49 49 ARG N N 324 116.720 116.720 118.672 -1.952 17775 9344 1 16 . 1 1 49 49 ARG HA H 324 3.840 3.840 3.994 -0.154 17775 9345 1 16 . 1 1 49 49 ARG C C 324 179.060 179.060 178.693 0.367 17775 9346 1 16 . 1 1 49 49 ARG CA C 324 59.930 59.930 59.736 0.194 17775 9347 1 16 . 1 1 49 49 ARG CB C 324 29.830 29.830 30.028 -0.198 17775 9348 1 16 . 1 1 49 49 ARG H H 324 8.550 8.550 8.106 0.444 17775 9349 1 16 . 1 1 50 50 SER N N 325 117.600 117.600 116.759 0.841 17775 9350 1 16 . 1 1 50 50 SER HA H 325 4.120 4.120 4.174 -0.054 17775 9351 1 16 . 1 1 50 50 SER C C 325 176.050 176.050 176.695 -0.645 17775 9352 1 16 . 1 1 50 50 SER CA C 325 62.630 62.630 62.346 0.284 17775 9353 1 16 . 1 1 50 50 SER CB C 325 62.950 62.950 63.051 -0.101 17775 9354 1 16 . 1 1 50 50 SER H H 325 8.170 8.170 7.773 0.397 17775 9355 1 16 . 1 1 51 51 LEU N N 326 123.730 123.730 122.163 1.567 17775 9356 1 16 . 1 1 51 51 LEU HA H 326 3.990 3.990 3.972 0.018 17775 9357 1 16 . 1 1 51 51 LEU C C 326 177.380 177.380 178.416 -1.036 17775 9358 1 16 . 1 1 51 51 LEU CA C 326 58.580 58.580 58.053 0.527 17775 9359 1 16 . 1 1 51 51 LEU CB C 326 42.190 42.190 41.773 0.417 17775 9360 1 16 . 1 1 51 51 LEU H H 326 8.190 8.190 7.824 0.366 17775 9361 1 16 . 1 1 52 52 LYS N N 327 119.170 119.170 119.298 -0.128 17775 9362 1 16 . 1 1 52 52 LYS HA H 327 3.860 3.860 3.872 -0.012 17775 9363 1 16 . 1 1 52 52 LYS C C 327 179.050 179.050 178.923 0.127 17775 9364 1 16 . 1 1 52 52 LYS CA C 327 59.700 59.700 59.714 -0.014 17775 9365 1 16 . 1 1 52 52 LYS CB C 327 32.020 32.020 32.229 -0.209 17775 9366 1 16 . 1 1 52 52 LYS H H 327 8.580 8.580 7.962 0.618 17775 9367 1 16 . 1 1 53 53 GLN N N 328 118.180 118.180 118.849 -0.669 17775 9368 1 16 . 1 1 53 53 GLN HA H 328 4.080 4.080 4.046 0.034 17775 9369 1 16 . 1 1 53 53 GLN C C 328 177.960 177.960 178.678 -0.718 17775 9370 1 16 . 1 1 53 53 GLN CA C 328 58.690 58.690 59.046 -0.356 17775 9371 1 16 . 1 1 53 53 GLN CB C 328 28.450 28.450 28.845 -0.395 17775 9372 1 16 . 1 1 53 53 GLN H H 328 8.080 8.080 7.944 0.136 17775 9373 1 16 . 1 1 54 54 LEU N N 329 118.740 118.740 119.918 -1.178 17775 9374 1 16 . 1 1 54 54 LEU HA H 329 4.150 4.150 4.045 0.105 17775 9375 1 16 . 1 1 54 54 LEU C C 329 179.580 179.580 179.000 0.580 17775 9376 1 16 . 1 1 54 54 LEU CA C 329 58.080 58.080 57.669 0.411 17775 9377 1 16 . 1 1 54 54 LEU CB C 329 42.620 42.620 41.853 0.767 17775 9378 1 16 . 1 1 54 54 LEU H H 329 7.680 7.680 7.953 -0.273 17775 9379 1 16 . 1 1 55 55 ALA N N 330 123.330 123.330 121.990 1.340 17775 9380 1 16 . 1 1 55 55 ALA HA H 330 4.050 4.050 3.907 0.143 17775 9381 1 16 . 1 1 55 55 ALA C C 330 180.530 180.530 179.408 1.122 17775 9382 1 16 . 1 1 55 55 ALA CA C 330 55.630 55.630 55.463 0.167 17775 9383 1 16 . 1 1 55 55 ALA CB C 330 18.320 18.320 17.996 0.324 17775 9384 1 16 . 1 1 55 55 ALA H H 330 8.390 8.390 7.947 0.443 17775 9385 1 16 . 1 1 56 56 ASP N N 331 121.350 121.350 119.322 2.028 17775 9386 1 16 . 1 1 56 56 ASP HA H 331 4.420 4.420 4.343 0.077 17775 9387 1 16 . 1 1 56 56 ASP C C 331 179.100 179.100 178.559 0.541 17775 9388 1 16 . 1 1 56 56 ASP CA C 331 57.430 57.430 57.396 0.034 17775 9389 1 16 . 1 1 56 56 ASP CB C 331 39.630 39.630 40.211 -0.580 17775 9390 1 16 . 1 1 56 56 ASP H H 331 8.820 8.820 8.025 0.795 17775 9391 1 16 . 1 1 57 57 ASP N N 332 121.570 121.570 119.857 1.713 17775 9392 1 16 . 1 1 57 57 ASP HA H 332 4.490 4.490 4.366 0.124 17775 9393 1 16 . 1 1 57 57 ASP C C 332 179.080 179.080 178.567 0.513 17775 9394 1 16 . 1 1 57 57 ASP CA C 332 57.380 57.380 57.170 0.210 17775 9395 1 16 . 1 1 57 57 ASP CB C 332 40.440 40.440 40.533 -0.093 17775 9396 1 16 . 1 1 57 57 ASP H H 332 8.420 8.420 8.060 0.360 17775 9397 1 16 . 1 1 58 58 ARG N N 333 120.250 120.250 120.253 -0.003 17775 9398 1 16 . 1 1 58 58 ARG HA H 333 3.940 3.940 3.975 -0.035 17775 9399 1 16 . 1 1 58 58 ARG C C 333 177.770 177.770 178.556 -0.786 17775 9400 1 16 . 1 1 58 58 ARG CA C 333 58.790 58.790 59.635 -0.845 17775 9401 1 16 . 1 1 58 58 ARG CB C 333 30.300 30.300 30.411 -0.111 17775 9402 1 16 . 1 1 58 58 ARG H H 333 7.900 7.900 7.896 0.004 17775 9403 1 16 . 1 1 59 59 THR N N 334 115.160 115.160 113.748 1.412 17775 9404 1 16 . 1 1 59 59 THR HA H 334 3.960 3.960 4.048 -0.088 17775 9405 1 16 . 1 1 59 59 THR C C 334 176.690 176.690 176.836 -0.146 17775 9406 1 16 . 1 1 59 59 THR CA C 334 66.430 66.430 65.985 0.445 17775 9407 1 16 . 1 1 59 59 THR CB C 334 68.720 68.720 68.614 0.106 17775 9408 1 16 . 1 1 59 59 THR H H 334 7.940 7.940 7.628 0.312 17775 9409 1 16 . 1 1 60 60 LEU N N 335 123.040 123.040 122.240 0.800 17775 9410 1 16 . 1 1 60 60 LEU HA H 335 4.070 4.070 3.963 0.107 17775 9411 1 16 . 1 1 60 60 LEU C C 335 180.040 180.040 179.011 1.029 17775 9412 1 16 . 1 1 60 60 LEU CA C 335 57.690 57.690 57.573 0.117 17775 9413 1 16 . 1 1 60 60 LEU CB C 335 41.810 41.810 41.478 0.332 17775 9414 1 16 . 1 1 60 60 LEU H H 335 7.860 7.860 7.666 0.194 17775 9415 1 16 . 1 1 61 61 LEU N N 336 121.600 121.600 120.384 1.216 17775 9416 1 16 . 1 1 61 61 LEU HA H 336 4.020 4.020 3.884 0.136 17775 9417 1 16 . 1 1 61 61 LEU C C 336 179.360 179.360 178.427 0.933 17775 9418 1 16 . 1 1 61 61 LEU CA C 336 57.900 57.900 58.279 -0.379 17775 9419 1 16 . 1 1 61 61 LEU CB C 336 41.970 41.970 41.855 0.115 17775 9420 1 16 . 1 1 61 61 LEU H H 336 8.180 8.180 8.052 0.128 17775 9421 1 16 . 1 1 62 62 MET N N 337 116.900 116.900 118.232 -1.332 17775 9422 1 16 . 1 1 62 62 MET HA H 337 4.110 4.110 3.889 0.221 17775 9423 1 16 . 1 1 62 62 MET C C 337 179.750 179.750 177.993 1.757 17775 9424 1 16 . 1 1 62 62 MET CA C 337 57.850 57.850 59.068 -1.218 17775 9425 1 16 . 1 1 62 62 MET CB C 337 32.200 32.200 32.414 -0.214 17775 9426 1 16 . 1 1 62 62 MET H H 337 8.160 8.160 7.550 0.610 17775 9427 1 16 . 1 1 63 63 ALA N N 338 122.990 122.990 121.137 1.853 17775 9428 1 16 . 1 1 63 63 ALA HA H 338 4.110 4.110 4.057 0.053 17775 9429 1 16 . 1 1 63 63 ALA C C 338 180.420 180.420 179.592 0.828 17775 9430 1 16 . 1 1 63 63 ALA CA C 338 55.270 55.270 55.161 0.109 17775 9431 1 16 . 1 1 63 63 ALA CB C 338 17.960 17.960 18.192 -0.232 17775 9432 1 16 . 1 1 63 63 ALA H H 338 8.090 8.090 7.649 0.441 17775 9433 1 16 . 1 1 64 64 GLY N N 339 106.980 106.980 106.914 0.066 17775 9434 1 16 . 1 1 64 64 GLY C C 339 175.240 175.240 176.314 -1.074 17775 9435 1 16 . 1 1 64 64 GLY CA C 339 47.190 47.190 47.234 -0.044 17775 9436 1 16 . 1 1 64 64 GLY H H 339 8.070 8.070 7.878 0.192 17775 9437 1 16 . 1 1 65 65 VAL N N 340 120.660 120.660 122.300 -1.640 17775 9438 1 16 . 1 1 65 65 VAL HA H 340 3.780 3.780 3.578 0.202 17775 9439 1 16 . 1 1 65 65 VAL C C 340 176.960 176.960 178.053 -1.093 17775 9440 1 16 . 1 1 65 65 VAL CA C 340 65.620 65.620 66.470 -0.850 17775 9441 1 16 . 1 1 65 65 VAL CB C 340 31.690 31.690 31.306 0.384 17775 9442 1 16 . 1 1 65 65 VAL H H 340 8.100 8.100 7.851 0.249 17775 9443 1 16 . 1 1 66 66 SER N N 341 112.150 112.150 115.518 -3.368 17775 9444 1 16 . 1 1 66 66 SER HA H 341 4.000 4.000 4.020 -0.020 17775 9445 1 16 . 1 1 66 66 SER C C 341 175.860 175.860 176.629 -0.769 17775 9446 1 16 . 1 1 66 66 SER CA C 341 61.240 61.240 61.737 -0.497 17775 9447 1 16 . 1 1 66 66 SER CB C 341 63.260 63.260 62.939 0.321 17775 9448 1 16 . 1 1 66 66 SER H H 341 7.810 7.810 7.955 -0.145 17775 9449 1 16 . 1 1 67 67 HIS N N 342 118.910 118.910 121.523 -2.613 17775 9450 1 16 . 1 1 67 67 HIS HA H 342 4.440 4.440 4.224 0.216 17775 9451 1 16 . 1 1 67 67 HIS C C 342 177.780 177.780 177.875 -0.095 17775 9452 1 16 . 1 1 67 67 HIS CA C 342 59.160 59.160 59.702 -0.541 17775 9453 1 16 . 1 1 67 67 HIS CB C 342 30.400 30.400 29.918 0.482 17775 9454 1 16 . 1 1 67 67 HIS H H 342 7.830 7.830 7.798 0.032 17775 9455 1 16 . 1 1 68 68 ASP N N 343 120.590 120.590 120.003 0.587 17775 9456 1 16 . 1 1 68 68 ASP HA H 343 4.440 4.440 4.324 0.116 17775 9457 1 16 . 1 1 68 68 ASP C C 343 178.470 178.470 178.848 -0.378 17775 9458 1 16 . 1 1 68 68 ASP CA C 343 57.500 57.500 56.887 0.613 17775 9459 1 16 . 1 1 68 68 ASP CB C 343 39.880 39.880 40.694 -0.814 17775 9460 1 16 . 1 1 68 68 ASP H H 343 8.580 8.580 7.877 0.703 17775 9461 1 16 . 1 1 69 69 LEU N N 344 117.900 117.900 119.903 -2.003 17775 9462 1 16 . 1 1 69 69 LEU HA H 344 4.190 4.190 3.971 0.219 17775 9463 1 16 . 1 1 69 69 LEU C C 344 177.010 177.010 178.581 -1.571 17775 9464 1 16 . 1 1 69 69 LEU CA C 344 56.810 56.810 57.242 -0.431 17775 9465 1 16 . 1 1 69 69 LEU CB C 344 43.300 43.300 41.567 1.733 17775 9466 1 16 . 1 1 69 69 LEU H H 344 8.300 8.300 7.790 0.510 17775 9467 1 16 . 1 1 70 70 ARG N N 345 114.380 114.380 118.696 -4.316 17775 9468 1 16 . 1 1 70 70 ARG HA H 345 3.930 3.930 3.960 -0.030 17775 9469 1 16 . 1 1 70 70 ARG C C 345 178.840 178.840 178.176 0.664 17775 9470 1 16 . 1 1 70 70 ARG CA C 345 59.420 59.420 59.107 0.313 17775 9471 1 16 . 1 1 70 70 ARG CB C 345 30.210 30.210 29.631 0.578 17775 9472 1 16 . 1 1 70 70 ARG H H 345 7.280 7.280 7.791 -0.511 17775 9473 1 16 . 1 1 71 71 THR N N 346 115.370 115.370 115.770 -0.400 17775 9474 1 16 . 1 1 71 71 THR HA H 346 4.060 4.060 4.096 -0.036 17775 9475 1 16 . 1 1 71 71 THR CA C 346 68.800 68.800 68.267 0.533 17775 9476 1 16 . 1 1 71 71 THR CB C 346 66.590 66.590 66.702 -0.112 17775 9477 1 16 . 1 1 71 71 THR H H 346 7.540 7.540 7.636 -0.096 17775 9478 1 16 . 1 1 72 72 PRO HA H 347 4.090 4.090 4.236 -0.146 17775 9479 1 16 . 1 1 72 72 PRO CA C 347 65.860 65.860 65.795 0.065 17775 9480 1 16 . 1 1 72 72 PRO CB C 347 31.380 31.380 31.285 0.095 17775 9481 1 16 . 1 1 73 73 LEU N N 348 114.830 114.830 119.068 -4.238 17775 9482 1 16 . 1 1 73 73 LEU HA H 348 3.950 3.950 3.887 0.063 17775 9483 1 16 . 1 1 73 73 LEU C C 348 179.120 179.120 178.978 0.142 17775 9484 1 16 . 1 1 73 73 LEU CA C 348 58.450 58.450 58.373 0.077 17775 9485 1 16 . 1 1 73 73 LEU CB C 348 41.320 41.320 41.431 -0.111 17775 9486 1 16 . 1 1 73 73 LEU H H 348 6.970 6.970 7.541 -0.571 17775 9487 1 16 . 1 1 74 74 THR N N 349 116.230 116.230 114.291 1.939 17775 9488 1 16 . 1 1 74 74 THR HA H 349 3.880 3.880 3.895 -0.015 17775 9489 1 16 . 1 1 74 74 THR C C 349 176.100 176.100 176.807 -0.707 17775 9490 1 16 . 1 1 74 74 THR CA C 349 66.760 66.760 66.635 0.125 17775 9491 1 16 . 1 1 74 74 THR CB C 349 68.770 68.770 68.322 0.448 17775 9492 1 16 . 1 1 74 74 THR H H 349 8.090 8.090 7.856 0.234 17775 9493 1 16 . 1 1 75 75 ARG N N 350 121.190 121.190 122.362 -1.172 17775 9494 1 16 . 1 1 75 75 ARG HA H 350 3.970 3.970 4.035 -0.065 17775 9495 1 16 . 1 1 75 75 ARG C C 350 180.130 180.130 178.731 1.399 17775 9496 1 16 . 1 1 75 75 ARG CA C 350 61.030 61.030 59.631 1.399 17775 9497 1 16 . 1 1 75 75 ARG CB C 350 31.080 31.080 30.034 1.046 17775 9498 1 16 . 1 1 75 75 ARG H H 350 7.570 7.570 7.723 -0.153 17775 9499 1 16 . 1 1 76 76 ILE N N 351 122.150 122.150 119.546 2.604 17775 9500 1 16 . 1 1 76 76 ILE HA H 351 3.700 3.700 3.634 0.066 17775 9501 1 16 . 1 1 76 76 ILE C C 351 177.070 177.070 177.731 -0.661 17775 9502 1 16 . 1 1 76 76 ILE CA C 351 65.560 65.560 65.090 0.470 17775 9503 1 16 . 1 1 76 76 ILE CB C 351 37.650 37.650 37.525 0.125 17775 9504 1 16 . 1 1 76 76 ILE H H 351 8.060 8.060 7.897 0.163 17775 9505 1 16 . 1 1 77 77 ARG N N 352 120.120 120.120 120.829 -0.709 17775 9506 1 16 . 1 1 77 77 ARG HA H 352 3.930 3.930 4.044 -0.114 17775 9507 1 16 . 1 1 77 77 ARG C C 352 179.580 179.580 178.965 0.615 17775 9508 1 16 . 1 1 77 77 ARG CA C 352 59.340 59.340 59.611 -0.271 17775 9509 1 16 . 1 1 77 77 ARG CB C 352 29.690 29.690 30.215 -0.525 17775 9510 1 16 . 1 1 77 77 ARG H H 352 7.700 7.700 7.642 0.058 17775 9511 1 16 . 1 1 78 78 LEU N N 353 119.970 119.970 119.354 0.616 17775 9512 1 16 . 1 1 78 78 LEU HA H 353 4.000 4.000 3.984 0.016 17775 9513 1 16 . 1 1 78 78 LEU C C 353 179.600 179.600 178.721 0.879 17775 9514 1 16 . 1 1 78 78 LEU CA C 353 57.910 57.910 58.147 -0.237 17775 9515 1 16 . 1 1 78 78 LEU CB C 353 41.430 41.430 41.714 -0.284 17775 9516 1 16 . 1 1 78 78 LEU H H 353 8.260 8.260 7.810 0.450 17775 9517 1 16 . 1 1 79 79 ALA N N 354 122.390 122.390 120.414 1.976 17775 9518 1 16 . 1 1 79 79 ALA HA H 354 4.070 4.070 3.995 0.075 17775 9519 1 16 . 1 1 79 79 ALA C C 354 180.620 180.620 179.377 1.243 17775 9520 1 16 . 1 1 79 79 ALA CA C 354 55.270 55.270 55.173 0.097 17775 9521 1 16 . 1 1 79 79 ALA CB C 354 18.030 18.030 18.412 -0.382 17775 9522 1 16 . 1 1 79 79 ALA H H 354 7.850 7.850 7.903 -0.053 17775 9523 1 16 . 1 1 80 80 THR N N 355 107.540 107.540 111.053 -3.513 17775 9524 1 16 . 1 1 80 80 THR HA H 355 3.990 3.990 4.047 -0.057 17775 9525 1 16 . 1 1 80 80 THR C C 355 177.250 177.250 177.127 0.123 17775 9526 1 16 . 1 1 80 80 THR CA C 355 64.970 64.970 64.796 0.174 17775 9527 1 16 . 1 1 80 80 THR CB C 355 69.020 69.020 68.327 0.693 17775 9528 1 16 . 1 1 80 80 THR H H 355 7.930 7.930 8.052 -0.122 17775 9529 1 16 . 1 1 81 81 GLU N N 356 120.380 120.380 120.051 0.329 17775 9530 1 16 . 1 1 81 81 GLU HA H 356 4.090 4.090 4.188 -0.098 17775 9531 1 16 . 1 1 81 81 GLU C C 356 177.280 177.280 177.411 -0.131 17775 9532 1 16 . 1 1 81 81 GLU CA C 356 58.020 58.020 58.114 -0.094 17775 9533 1 16 . 1 1 81 81 GLU CB C 356 29.490 29.490 29.084 0.406 17775 9534 1 16 . 1 1 81 81 GLU H H 356 7.380 7.380 7.675 -0.295 17775 9535 1 16 . 1 1 82 82 MET N N 357 115.510 115.510 116.341 -0.831 17775 9536 1 16 . 1 1 82 82 MET HA H 357 4.480 4.480 4.314 0.166 17775 9537 1 16 . 1 1 82 82 MET C C 357 176.140 176.140 176.548 -0.408 17775 9538 1 16 . 1 1 82 82 MET CA C 357 54.810 54.810 55.766 -0.956 17775 9539 1 16 . 1 1 82 82 MET CB C 357 32.660 32.660 33.410 -0.750 17775 9540 1 16 . 1 1 82 82 MET H H 357 7.480 7.480 7.353 0.127 17775 9541 1 16 . 1 1 83 83 MET N N 358 119.530 119.530 118.513 1.017 17775 9542 1 16 . 1 1 83 83 MET HA H 358 4.020 4.020 4.286 -0.266 17775 9543 1 16 . 1 1 83 83 MET C C 358 175.670 175.670 176.449 -0.779 17775 9544 1 16 . 1 1 83 83 MET CA C 358 57.430 57.430 55.678 1.752 17775 9545 1 16 . 1 1 83 83 MET CB C 358 33.860 33.860 33.120 0.740 17775 9546 1 16 . 1 1 83 83 MET H H 358 7.010 7.010 7.298 -0.288 17775 9547 1 16 . 1 1 84 84 SER N N 359 119.110 119.110 118.678 0.432 17775 9548 1 16 . 1 1 84 84 SER HA H 359 4.300 4.300 4.569 -0.269 17775 9549 1 16 . 1 1 84 84 SER C C 359 176.160 176.160 175.329 0.831 17775 9550 1 16 . 1 1 84 84 SER CA C 359 59.170 59.170 57.729 1.441 17775 9551 1 16 . 1 1 84 84 SER CB C 359 64.540 64.540 64.586 -0.046 17775 9552 1 16 . 1 1 84 84 SER H H 359 9.630 9.630 8.263 1.367 17775 9553 1 16 . 1 1 85 85 GLU N N 360 124.090 124.090 121.260 2.830 17775 9554 1 16 . 1 1 85 85 GLU CA C 360 58.880 58.880 58.933 -0.053 17775 9555 1 16 . 1 1 85 85 GLU CB C 360 29.560 29.560 29.486 0.074 17775 9556 1 16 . 1 1 85 85 GLU H H 360 8.810 8.810 9.056 -0.246 17775 9557 1 16 . 1 1 86 86 GLN HA H 361 4.220 4.220 4.195 0.025 17775 9558 1 16 . 1 1 86 86 GLN C C 361 176.370 176.370 177.214 -0.844 17775 9559 1 16 . 1 1 86 86 GLN CA C 361 58.440 58.440 58.177 0.263 17775 9560 1 16 . 1 1 86 86 GLN CB C 361 28.290 28.290 28.544 -0.254 17775 9561 1 16 . 1 1 87 87 ASP N N 362 118.700 118.700 118.456 0.244 17775 9562 1 16 . 1 1 87 87 ASP HA H 362 5.070 5.070 4.514 0.556 17775 9563 1 16 . 1 1 87 87 ASP C C 362 176.740 176.740 176.360 0.380 17775 9564 1 16 . 1 1 87 87 ASP CA C 362 53.710 53.710 53.177 0.533 17775 9565 1 16 . 1 1 87 87 ASP CB C 362 40.980 40.980 41.116 -0.136 17775 9566 1 16 . 1 1 87 87 ASP H H 362 7.640 7.640 7.522 0.118 17775 9567 1 16 . 1 1 88 88 GLY N N 363 110.410 110.410 109.122 1.288 17775 9568 1 16 . 1 1 88 88 GLY CA C 363 47.890 47.890 47.435 0.455 17775 9569 1 16 . 1 1 88 88 GLY H H 363 7.940 7.940 8.132 -0.192 17775 9570 1 16 . 1 1 89 89 TYR HA H 364 4.430 4.430 4.236 0.194 17775 9571 1 16 . 1 1 89 89 TYR C C 364 177.600 177.600 177.374 0.226 17775 9572 1 16 . 1 1 89 89 TYR CA C 364 59.970 59.970 59.067 0.903 17775 9573 1 16 . 1 1 89 89 TYR CB C 364 37.100 37.100 37.182 -0.082 17775 9574 1 16 . 1 1 89 89 TYR H H 364 8.470 8.470 8.160 0.310 17775 9575 1 16 . 1 1 90 90 LEU N N 365 124.000 124.000 120.153 3.847 17775 9576 1 16 . 1 1 90 90 LEU HA H 365 3.920 3.920 4.039 -0.119 17775 9577 1 16 . 1 1 90 90 LEU C C 365 178.180 178.180 178.404 -0.224 17775 9578 1 16 . 1 1 90 90 LEU CA C 365 57.050 57.050 56.387 0.663 17775 9579 1 16 . 1 1 90 90 LEU CB C 365 41.930 41.930 41.440 0.490 17775 9580 1 16 . 1 1 90 90 LEU H H 365 7.080 7.080 6.772 0.308 17775 9581 1 16 . 1 1 91 91 ALA N N 366 123.150 123.150 122.676 0.474 17775 9582 1 16 . 1 1 91 91 ALA HA H 366 3.790 3.790 3.977 -0.187 17775 9583 1 16 . 1 1 91 91 ALA C C 366 179.610 179.610 179.616 -0.006 17775 9584 1 16 . 1 1 91 91 ALA CA C 366 55.910 55.910 54.831 1.079 17775 9585 1 16 . 1 1 91 91 ALA CB C 366 18.450 18.450 18.267 0.183 17775 9586 1 16 . 1 1 91 91 ALA H H 366 7.880 7.880 7.790 0.090 17775 9587 1 16 . 1 1 92 92 GLU N N 367 116.750 116.750 117.878 -1.128 17775 9588 1 16 . 1 1 92 92 GLU HA H 367 4.010 4.010 3.952 0.058 17775 9589 1 16 . 1 1 92 92 GLU C C 367 177.910 177.910 178.955 -1.045 17775 9590 1 16 . 1 1 92 92 GLU CA C 367 59.420 59.420 59.588 -0.168 17775 9591 1 16 . 1 1 92 92 GLU CB C 367 29.620 29.620 29.360 0.260 17775 9592 1 16 . 1 1 92 92 GLU H H 367 8.100 8.100 8.408 -0.308 17775 9593 1 16 . 1 1 93 93 SER N N 368 115.480 115.480 115.129 0.351 17775 9594 1 16 . 1 1 93 93 SER HA H 368 4.060 4.060 4.219 -0.159 17775 9595 1 16 . 1 1 93 93 SER C C 368 176.360 176.360 176.582 -0.222 17775 9596 1 16 . 1 1 93 93 SER CA C 368 61.610 61.610 61.366 0.244 17775 9597 1 16 . 1 1 93 93 SER CB C 368 63.080 63.080 62.770 0.311 17775 9598 1 16 . 1 1 93 93 SER H H 368 7.520 7.520 7.408 0.112 17775 9599 1 16 . 1 1 94 94 ILE N N 369 121.710 121.710 121.968 -0.258 17775 9600 1 16 . 1 1 94 94 ILE HA H 369 4.000 4.000 4.023 -0.023 17775 9601 1 16 . 1 1 94 94 ILE C C 369 178.000 178.000 178.043 -0.043 17775 9602 1 16 . 1 1 94 94 ILE CA C 369 65.470 65.470 64.763 0.707 17775 9603 1 16 . 1 1 94 94 ILE CB C 369 38.030 38.030 37.605 0.425 17775 9604 1 16 . 1 1 94 94 ILE H H 369 8.400 8.400 7.536 0.864 17775 9605 1 16 . 1 1 95 95 ASN N N 370 117.810 117.810 118.899 -1.089 17775 9606 1 16 . 1 1 95 95 ASN HA H 370 4.290 4.290 4.421 -0.131 17775 9607 1 16 . 1 1 95 95 ASN C C 370 179.730 179.730 177.720 2.010 17775 9608 1 16 . 1 1 95 95 ASN CA C 370 57.340 57.340 56.147 1.193 17775 9609 1 16 . 1 1 95 95 ASN CB C 370 38.280 38.280 37.953 0.327 17775 9610 1 16 . 1 1 95 95 ASN H H 370 8.270 8.270 8.248 0.022 17775 9611 1 16 . 1 1 96 96 LYS N N 371 121.220 121.220 120.688 0.532 17775 9612 1 16 . 1 1 96 96 LYS HA H 371 4.090 4.090 4.304 -0.214 17775 9613 1 16 . 1 1 96 96 LYS C C 371 179.250 179.250 178.898 0.352 17775 9614 1 16 . 1 1 96 96 LYS CA C 371 59.650 59.650 59.646 0.004 17775 9615 1 16 . 1 1 96 96 LYS CB C 371 31.730 31.730 32.411 -0.681 17775 9616 1 16 . 1 1 96 96 LYS H H 371 7.960 7.960 7.801 0.159 17775 9617 1 16 . 1 1 97 97 ASP N N 372 122.870 122.870 120.226 2.644 17775 9618 1 16 . 1 1 97 97 ASP HA H 372 4.060 4.060 4.410 -0.350 17775 9619 1 16 . 1 1 97 97 ASP C C 372 179.300 179.300 178.715 0.585 17775 9620 1 16 . 1 1 97 97 ASP CA C 372 58.400 58.400 57.303 1.097 17775 9621 1 16 . 1 1 97 97 ASP CB C 372 41.130 41.130 40.399 0.731 17775 9622 1 16 . 1 1 97 97 ASP H H 372 7.920 7.920 7.775 0.145 17775 9623 1 16 . 1 1 98 98 ILE N N 373 123.090 123.090 120.318 2.772 17775 9624 1 16 . 1 1 98 98 ILE HA H 373 3.620 3.620 3.613 0.007 17775 9625 1 16 . 1 1 98 98 ILE C C 373 178.330 178.330 177.921 0.409 17775 9626 1 16 . 1 1 98 98 ILE CA C 373 65.080 65.080 65.420 -0.340 17775 9627 1 16 . 1 1 98 98 ILE CB C 373 37.260 37.260 37.826 -0.566 17775 9628 1 16 . 1 1 98 98 ILE H H 373 8.720 8.720 7.852 0.868 17775 9629 1 16 . 1 1 99 99 GLU N N 374 120.550 120.550 119.755 0.795 17775 9630 1 16 . 1 1 99 99 GLU HA H 374 4.120 4.120 3.859 0.261 17775 9631 1 16 . 1 1 99 99 GLU C C 374 179.740 179.740 178.994 0.746 17775 9632 1 16 . 1 1 99 99 GLU CA C 374 59.570 59.570 60.011 -0.441 17775 9633 1 16 . 1 1 99 99 GLU CB C 374 28.910 28.910 29.302 -0.392 17775 9634 1 16 . 1 1 99 99 GLU H H 374 8.100 8.100 8.013 0.087 17775 9635 1 16 . 1 1 100 100 GLU N N 375 122.040 122.040 120.112 1.928 17775 9636 1 16 . 1 1 100 100 GLU HA H 375 4.140 4.140 4.044 0.096 17775 9637 1 16 . 1 1 100 100 GLU C C 375 178.810 178.810 179.018 -0.208 17775 9638 1 16 . 1 1 100 100 GLU CA C 375 59.830 59.830 59.366 0.464 17775 9639 1 16 . 1 1 100 100 GLU CB C 375 29.220 29.220 29.625 -0.406 17775 9640 1 16 . 1 1 100 100 GLU H H 375 8.060 8.060 7.974 0.086 17775 9641 1 16 . 1 1 101 101 CYS N N 376 117.330 117.330 117.945 -0.615 17775 9642 1 16 . 1 1 101 101 CYS HA H 376 3.960 3.960 4.016 -0.056 17775 9643 1 16 . 1 1 101 101 CYS C C 376 176.540 176.540 176.923 -0.383 17775 9644 1 16 . 1 1 101 101 CYS CA C 376 64.510 64.510 64.117 0.393 17775 9645 1 16 . 1 1 101 101 CYS CB C 376 27.270 27.270 27.408 -0.138 17775 9646 1 16 . 1 1 101 101 CYS H H 376 8.130 8.130 7.940 0.190 17775 9647 1 16 . 1 1 102 102 ASN N N 377 117.140 117.140 118.335 -1.195 17775 9648 1 16 . 1 1 102 102 ASN HA H 377 4.290 4.290 4.389 -0.099 17775 9649 1 16 . 1 1 102 102 ASN C C 377 176.980 176.980 177.507 -0.527 17775 9650 1 16 . 1 1 102 102 ASN CA C 377 56.460 56.460 56.691 -0.231 17775 9651 1 16 . 1 1 102 102 ASN CB C 377 38.440 38.440 38.413 0.027 17775 9652 1 16 . 1 1 102 102 ASN H H 377 8.430 8.430 7.907 0.523 17775 9653 1 16 . 1 1 103 103 ALA N N 378 123.350 123.350 123.127 0.223 17775 9654 1 16 . 1 1 103 103 ALA HA H 378 4.130 4.130 4.070 0.060 17775 9655 1 16 . 1 1 103 103 ALA C C 378 180.510 180.510 179.704 0.806 17775 9656 1 16 . 1 1 103 103 ALA CA C 378 55.120 55.120 55.103 0.017 17775 9657 1 16 . 1 1 103 103 ALA CB C 378 17.960 17.960 18.304 -0.344 17775 9658 1 16 . 1 1 103 103 ALA H H 378 8.130 8.130 7.896 0.234 17775 9659 1 16 . 1 1 104 104 ILE N N 379 120.880 120.880 119.379 1.501 17775 9660 1 16 . 1 1 104 104 ILE HA H 379 3.680 3.680 3.660 0.020 17775 9661 1 16 . 1 1 104 104 ILE C C 379 178.260 178.260 178.207 0.053 17775 9662 1 16 . 1 1 104 104 ILE CA C 379 64.860 64.860 66.068 -1.208 17775 9663 1 16 . 1 1 104 104 ILE CB C 379 38.080 38.080 38.045 0.035 17775 9664 1 16 . 1 1 104 104 ILE H H 379 8.010 8.010 7.704 0.306 17775 9665 1 16 . 1 1 105 105 ILE N N 380 119.970 119.970 119.472 0.498 17775 9666 1 16 . 1 1 105 105 ILE HA H 380 3.430 3.430 3.730 -0.300 17775 9667 1 16 . 1 1 105 105 ILE C C 380 177.660 177.660 178.135 -0.475 17775 9668 1 16 . 1 1 105 105 ILE CA C 380 65.490 65.490 65.698 -0.208 17775 9669 1 16 . 1 1 105 105 ILE CB C 380 38.060 38.060 37.476 0.584 17775 9670 1 16 . 1 1 105 105 ILE H H 380 8.060 8.060 7.703 0.357 17775 9671 1 16 . 1 1 106 106 GLU N N 381 118.640 118.640 119.868 -1.228 17775 9672 1 16 . 1 1 106 106 GLU HA H 381 3.970 3.970 3.943 0.027 17775 9673 1 16 . 1 1 106 106 GLU C C 381 178.440 178.440 179.321 -0.881 17775 9674 1 16 . 1 1 106 106 GLU CA C 381 59.260 59.260 60.006 -0.746 17775 9675 1 16 . 1 1 106 106 GLU CB C 381 29.570 29.570 29.288 0.282 17775 9676 1 16 . 1 1 106 106 GLU H H 381 8.140 8.140 8.132 0.008 17775 9677 1 16 . 1 1 107 107 GLN N N 382 117.770 117.770 118.740 -0.970 17775 9678 1 16 . 1 1 107 107 GLN HA H 382 4.040 4.040 4.037 0.003 17775 9679 1 16 . 1 1 107 107 GLN C C 382 177.550 177.550 178.725 -1.175 17775 9680 1 16 . 1 1 107 107 GLN CA C 382 58.170 58.170 58.792 -0.623 17775 9681 1 16 . 1 1 107 107 GLN CB C 382 28.770 28.770 28.588 0.182 17775 9682 1 16 . 1 1 107 107 GLN H H 382 7.710 7.710 7.871 -0.161 17775 9683 1 16 . 1 1 108 108 PHE N N 383 118.750 118.750 119.624 -0.874 17775 9684 1 16 . 1 1 108 108 PHE HA H 383 4.490 4.490 4.188 0.302 17775 9685 1 16 . 1 1 108 108 PHE C C 383 176.570 176.570 178.051 -1.481 17775 9686 1 16 . 1 1 108 108 PHE CA C 383 59.360 59.360 62.538 -3.178 17775 9687 1 16 . 1 1 108 108 PHE CB C 383 38.760 38.760 38.827 -0.067 17775 9688 1 16 . 1 1 108 108 PHE H H 383 7.880 7.880 7.776 0.104 17775 9689 1 16 . 1 1 109 109 ILE N N 384 118.200 118.200 118.303 -0.103 17775 9690 1 16 . 1 1 109 109 ILE HA H 384 3.720 3.720 4.046 -0.326 17775 9691 1 16 . 1 1 109 109 ILE C C 384 177.450 177.450 177.848 -0.398 17775 9692 1 16 . 1 1 109 109 ILE CA C 384 64.280 64.280 64.645 -0.365 17775 9693 1 16 . 1 1 109 109 ILE CB C 384 37.870 37.870 37.959 -0.089 17775 9694 1 16 . 1 1 109 109 ILE H H 384 7.950 7.950 7.788 0.162 17775 9695 1 16 . 1 1 110 110 ASP N N 385 119.750 119.750 119.339 0.411 17775 9696 1 16 . 1 1 110 110 ASP HA H 385 4.440 4.440 4.425 0.015 17775 9697 1 16 . 1 1 110 110 ASP C C 385 177.620 177.620 177.675 -0.055 17775 9698 1 16 . 1 1 110 110 ASP CA C 385 56.500 56.500 56.596 -0.096 17775 9699 1 16 . 1 1 110 110 ASP CB C 385 40.860 40.860 41.160 -0.300 17775 9700 1 16 . 1 1 110 110 ASP H H 385 7.840 7.840 8.206 -0.366 17775 9701 1 16 . 1 1 111 111 TYR N N 386 118.370 118.370 119.032 -0.662 17775 9702 1 16 . 1 1 111 111 TYR HA H 386 4.430 4.430 4.258 0.172 17775 9703 1 16 . 1 1 111 111 TYR C C 386 176.320 176.320 176.018 0.302 17775 9704 1 16 . 1 1 111 111 TYR CA C 386 58.940 58.940 60.918 -1.978 17775 9705 1 16 . 1 1 111 111 TYR CB C 386 38.440 38.440 39.480 -1.040 17775 9706 1 16 . 1 1 111 111 TYR H H 386 7.760 7.760 7.961 -0.201 17775 9707 1 16 . 1 1 112 112 LEU N N 387 119.730 119.730 118.907 0.823 17775 9708 1 16 . 1 1 112 112 LEU HA H 387 4.230 4.230 4.644 -0.414 17775 9709 1 16 . 1 1 112 112 LEU C C 387 175.900 175.900 174.727 1.173 17775 9710 1 16 . 1 1 112 112 LEU CA C 387 55.090 55.090 54.405 0.685 17775 9711 1 16 . 1 1 112 112 LEU CB C 387 42.670 42.670 43.657 -0.987 17775 9712 1 16 . 1 1 112 112 LEU H H 387 7.660 7.660 7.753 -0.093 17775 9713 1 17 . 1 1 5 5 ILE HA H 280 4.190 4.190 3.910 0.280 17775 9714 1 17 . 1 1 5 5 ILE CA C 280 61.650 61.650 62.974 -1.325 17775 9715 1 17 . 1 1 5 5 ILE CB C 280 38.520 38.520 36.724 1.796 17775 9716 1 17 . 1 1 6 6 THR HA H 281 4.340 4.340 4.007 0.333 17775 9717 1 17 . 1 1 6 6 THR CA C 281 62.680 62.680 66.355 -3.675 17775 9718 1 17 . 1 1 6 6 THR CB C 281 69.630 69.630 68.485 1.145 17775 9719 1 17 . 1 1 8 8 PRO HA H 283 4.230 4.230 4.419 -0.189 17775 9720 1 17 . 1 1 8 8 PRO CA C 283 65.940 65.940 65.656 0.284 17775 9721 1 17 . 1 1 8 8 PRO CB C 283 30.730 30.730 30.765 -0.035 17775 9722 1 17 . 1 1 9 9 ILE N N 284 115.670 115.670 119.010 -3.340 17775 9723 1 17 . 1 1 9 9 ILE HA H 284 3.420 3.420 3.818 -0.398 17775 9724 1 17 . 1 1 9 9 ILE C C 284 177.820 177.820 178.221 -0.401 17775 9725 1 17 . 1 1 9 9 ILE CA C 284 65.540 65.540 63.732 1.808 17775 9726 1 17 . 1 1 9 9 ILE CB C 284 36.810 36.810 36.883 -0.073 17775 9727 1 17 . 1 1 9 9 ILE H H 284 7.300 7.300 7.212 0.088 17775 9728 1 17 . 1 1 10 10 ILE N N 285 121.880 121.880 120.967 0.913 17775 9729 1 17 . 1 1 10 10 ILE HA H 285 3.800 3.800 3.903 -0.103 17775 9730 1 17 . 1 1 10 10 ILE C C 285 177.690 177.690 179.135 -1.445 17775 9731 1 17 . 1 1 10 10 ILE CA C 285 62.880 62.880 63.040 -0.160 17775 9732 1 17 . 1 1 10 10 ILE CB C 285 36.560 36.560 36.413 0.147 17775 9733 1 17 . 1 1 10 10 ILE H H 285 7.880 7.880 7.863 0.017 17775 9734 1 17 . 1 1 11 11 GLU N N 286 120.580 120.580 120.385 0.195 17775 9735 1 17 . 1 1 11 11 GLU HA H 286 4.080 4.080 4.069 0.011 17775 9736 1 17 . 1 1 11 11 GLU C C 286 180.980 180.980 179.548 1.432 17775 9737 1 17 . 1 1 11 11 GLU CA C 286 59.630 59.630 59.845 -0.215 17775 9738 1 17 . 1 1 11 11 GLU CB C 286 29.550 29.550 29.599 -0.049 17775 9739 1 17 . 1 1 11 11 GLU H H 286 8.450 8.450 8.170 0.280 17775 9740 1 17 . 1 1 12 12 LEU N N 287 121.340 121.340 119.657 1.683 17775 9741 1 17 . 1 1 12 12 LEU HA H 287 4.010 4.010 4.075 -0.065 17775 9742 1 17 . 1 1 12 12 LEU C C 287 178.030 178.030 178.966 -0.936 17775 9743 1 17 . 1 1 12 12 LEU CA C 287 58.310 58.310 58.128 0.182 17775 9744 1 17 . 1 1 12 12 LEU CB C 287 42.050 42.050 41.961 0.089 17775 9745 1 17 . 1 1 12 12 LEU H H 287 8.490 8.490 7.898 0.592 17775 9746 1 17 . 1 1 13 13 SER N N 288 117.590 117.590 114.888 2.702 17775 9747 1 17 . 1 1 13 13 SER HA H 288 4.190 4.190 4.088 0.102 17775 9748 1 17 . 1 1 13 13 SER C C 288 175.660 175.660 176.653 -0.993 17775 9749 1 17 . 1 1 13 13 SER CA C 288 61.670 61.670 61.873 -0.203 17775 9750 1 17 . 1 1 13 13 SER CB C 288 62.490 62.490 62.622 -0.132 17775 9751 1 17 . 1 1 13 13 SER H H 288 8.330 8.330 8.227 0.103 17775 9752 1 17 . 1 1 14 14 ASN N N 289 119.150 119.150 121.308 -2.158 17775 9753 1 17 . 1 1 14 14 ASN HA H 289 4.450 4.450 4.572 -0.122 17775 9754 1 17 . 1 1 14 14 ASN C C 289 178.480 178.480 177.818 0.662 17775 9755 1 17 . 1 1 14 14 ASN CA C 289 55.870 55.870 55.841 0.029 17775 9756 1 17 . 1 1 14 14 ASN CB C 289 38.090 38.090 38.209 -0.119 17775 9757 1 17 . 1 1 14 14 ASN H H 289 8.650 8.650 8.290 0.360 17775 9758 1 17 . 1 1 15 15 THR N N 290 117.650 117.650 117.300 0.350 17775 9759 1 17 . 1 1 15 15 THR HA H 290 3.830 3.830 3.997 -0.167 17775 9760 1 17 . 1 1 15 15 THR C C 290 175.030 175.030 176.015 -0.985 17775 9761 1 17 . 1 1 15 15 THR CA C 290 67.790 67.790 66.228 1.562 17775 9762 1 17 . 1 1 15 15 THR CB C 290 68.660 68.660 68.274 0.386 17775 9763 1 17 . 1 1 15 15 THR H H 290 8.040 8.040 7.970 0.070 17775 9764 1 17 . 1 1 16 16 ALA N N 291 124.470 124.470 124.348 0.122 17775 9765 1 17 . 1 1 16 16 ALA HA H 291 3.850 3.850 3.922 -0.072 17775 9766 1 17 . 1 1 16 16 ALA C C 291 178.470 178.470 179.003 -0.533 17775 9767 1 17 . 1 1 16 16 ALA CA C 291 55.430 55.430 55.266 0.164 17775 9768 1 17 . 1 1 16 16 ALA CB C 291 17.820 17.820 18.205 -0.385 17775 9769 1 17 . 1 1 16 16 ALA H H 291 8.530 8.530 7.932 0.598 17775 9770 1 17 . 1 1 17 17 ASP N N 292 117.560 117.560 118.979 -1.419 17775 9771 1 17 . 1 1 17 17 ASP HA H 292 4.360 4.360 4.343 0.017 17775 9772 1 17 . 1 1 17 17 ASP C C 292 178.420 178.420 178.896 -0.476 17775 9773 1 17 . 1 1 17 17 ASP CA C 292 57.430 57.430 57.432 -0.002 17775 9774 1 17 . 1 1 17 17 ASP CB C 292 40.130 40.130 40.325 -0.195 17775 9775 1 17 . 1 1 17 17 ASP H H 292 8.290 8.290 7.980 0.310 17775 9776 1 17 . 1 1 18 18 LYS N N 293 119.100 119.100 119.916 -0.816 17775 9777 1 17 . 1 1 18 18 LYS HA H 293 4.010 4.010 4.184 -0.174 17775 9778 1 17 . 1 1 18 18 LYS C C 293 180.170 180.170 179.127 1.043 17775 9779 1 17 . 1 1 18 18 LYS CA C 293 59.020 59.020 59.451 -0.431 17775 9780 1 17 . 1 1 18 18 LYS CB C 293 32.270 32.270 32.468 -0.198 17775 9781 1 17 . 1 1 18 18 LYS H H 293 7.690 7.690 7.585 0.104 17775 9782 1 17 . 1 1 19 19 ILE N N 294 122.510 122.510 119.863 2.647 17775 9783 1 17 . 1 1 19 19 ILE HA H 294 3.690 3.690 4.058 -0.368 17775 9784 1 17 . 1 1 19 19 ILE C C 294 178.920 178.920 178.735 0.185 17775 9785 1 17 . 1 1 19 19 ILE CA C 294 64.400 64.400 64.796 -0.397 17775 9786 1 17 . 1 1 19 19 ILE CB C 294 38.320 38.320 37.932 0.388 17775 9787 1 17 . 1 1 19 19 ILE H H 294 8.220 8.220 7.738 0.482 17775 9788 1 17 . 1 1 20 20 ALA N N 295 123.270 123.270 122.201 1.069 17775 9789 1 17 . 1 1 20 20 ALA HA H 295 3.850 3.850 4.068 -0.218 17775 9790 1 17 . 1 1 20 20 ALA C C 295 179.390 179.390 179.005 0.385 17775 9791 1 17 . 1 1 20 20 ALA CA C 295 55.370 55.370 54.864 0.506 17775 9792 1 17 . 1 1 20 20 ALA CB C 295 17.880 17.880 18.344 -0.464 17775 9793 1 17 . 1 1 20 20 ALA H H 295 8.580 8.580 7.853 0.727 17775 9794 1 17 . 1 1 21 21 GLU N N 296 115.530 115.530 116.468 -0.938 17775 9795 1 17 . 1 1 21 21 GLU HA H 296 4.160 4.160 4.180 -0.020 17775 9796 1 17 . 1 1 21 21 GLU C C 296 176.560 176.560 177.615 -1.055 17775 9797 1 17 . 1 1 21 21 GLU CA C 296 56.400 56.400 56.361 0.039 17775 9798 1 17 . 1 1 21 21 GLU CB C 296 29.830 29.830 29.643 0.187 17775 9799 1 17 . 1 1 21 21 GLU H H 296 7.680 7.680 7.789 -0.109 17775 9800 1 17 . 1 1 22 22 GLY N N 297 105.910 105.910 108.009 -2.099 17775 9801 1 17 . 1 1 22 22 GLY C C 297 174.160 174.160 174.344 -0.184 17775 9802 1 17 . 1 1 22 22 GLY CA C 297 45.040 45.040 44.639 0.401 17775 9803 1 17 . 1 1 22 22 GLY H H 297 7.820 7.820 7.975 -0.155 17775 9804 1 17 . 1 1 23 23 ASN N N 298 120.260 120.260 121.269 -1.009 17775 9805 1 17 . 1 1 23 23 ASN HA H 298 4.960 4.960 5.002 -0.042 17775 9806 1 17 . 1 1 23 23 ASN C C 298 174.560 174.560 175.898 -1.338 17775 9807 1 17 . 1 1 23 23 ASN CA C 298 51.800 51.800 51.867 -0.067 17775 9808 1 17 . 1 1 23 23 ASN CB C 298 36.750 36.750 37.695 -0.945 17775 9809 1 17 . 1 1 23 23 ASN H H 298 8.070 8.070 8.046 0.024 17775 9810 1 17 . 1 1 24 24 LEU N N 299 119.750 119.750 122.575 -2.825 17775 9811 1 17 . 1 1 24 24 LEU HA H 299 3.950 3.950 4.031 -0.081 17775 9812 1 17 . 1 1 24 24 LEU C C 299 176.390 176.390 177.936 -1.546 17775 9813 1 17 . 1 1 24 24 LEU CA C 299 56.250 56.250 57.654 -1.404 17775 9814 1 17 . 1 1 24 24 LEU CB C 299 41.260 41.260 41.635 -0.375 17775 9815 1 17 . 1 1 24 24 LEU H H 299 7.850 7.850 7.541 0.309 17775 9816 1 17 . 1 1 25 25 GLU N N 300 114.210 114.210 117.459 -3.249 17775 9817 1 17 . 1 1 25 25 GLU HA H 300 4.230 4.230 4.195 0.035 17775 9818 1 17 . 1 1 25 25 GLU C C 300 176.050 176.050 176.178 -0.128 17775 9819 1 17 . 1 1 25 25 GLU CA C 300 55.640 55.640 56.391 -0.751 17775 9820 1 17 . 1 1 25 25 GLU CB C 300 29.410 29.410 29.139 0.272 17775 9821 1 17 . 1 1 25 25 GLU H H 300 7.840 7.840 8.410 -0.570 17775 9822 1 17 . 1 1 26 26 ALA N N 301 124.010 124.010 124.300 -0.290 17775 9823 1 17 . 1 1 26 26 ALA HA H 301 3.880 3.880 4.155 -0.275 17775 9824 1 17 . 1 1 26 26 ALA C C 301 175.390 175.390 176.901 -1.511 17775 9825 1 17 . 1 1 26 26 ALA CA C 301 52.890 52.890 52.739 0.151 17775 9826 1 17 . 1 1 26 26 ALA CB C 301 18.570 18.570 19.102 -0.531 17775 9827 1 17 . 1 1 26 26 ALA H H 301 6.770 6.770 7.327 -0.557 17775 9828 1 17 . 1 1 27 27 GLU N N 302 120.120 120.120 123.232 -3.112 17775 9829 1 17 . 1 1 27 27 GLU HA H 302 4.080 4.080 4.247 -0.167 17775 9830 1 17 . 1 1 27 27 GLU C C 302 176.510 176.510 176.238 0.272 17775 9831 1 17 . 1 1 27 27 GLU CA C 302 55.150 55.150 56.197 -1.047 17775 9832 1 17 . 1 1 27 27 GLU CB C 302 30.160 30.160 30.713 -0.553 17775 9833 1 17 . 1 1 27 27 GLU H H 302 7.880 7.880 8.350 -0.470 17775 9834 1 17 . 1 1 28 28 VAL N N 303 129.020 129.020 124.937 4.083 17775 9835 1 17 . 1 1 28 28 VAL HA H 303 4.230 4.230 4.184 0.046 17775 9836 1 17 . 1 1 28 28 VAL CA C 303 60.440 60.440 60.774 -0.334 17775 9837 1 17 . 1 1 28 28 VAL CB C 303 31.760 31.760 31.936 -0.175 17775 9838 1 17 . 1 1 28 28 VAL H H 303 8.890 8.890 7.995 0.895 17775 9839 1 17 . 1 1 29 29 PRO HA H 304 4.400 4.400 4.488 -0.088 17775 9840 1 17 . 1 1 29 29 PRO CA C 304 62.790 62.790 61.955 0.835 17775 9841 1 17 . 1 1 29 29 PRO CB C 304 32.120 32.120 32.626 -0.506 17775 9842 1 17 . 1 1 30 30 HIS N N 305 103.640 103.640 111.298 -7.658 17775 9843 1 17 . 1 1 30 30 HIS HA H 305 4.210 4.210 4.197 0.013 17775 9844 1 17 . 1 1 30 30 HIS C C 305 175.590 175.590 176.567 -0.977 17775 9845 1 17 . 1 1 30 30 HIS CA C 305 57.950 57.950 57.727 0.223 17775 9846 1 17 . 1 1 30 30 HIS CB C 305 27.910 27.910 27.294 0.616 17775 9847 1 17 . 1 1 30 30 HIS H H 305 7.780 7.780 8.392 -0.612 17775 9848 1 17 . 1 1 31 31 GLN N N 306 114.840 114.840 118.512 -3.672 17775 9849 1 17 . 1 1 31 31 GLN HA H 306 3.990 3.990 3.978 0.012 17775 9850 1 17 . 1 1 31 31 GLN C C 306 176.290 176.290 176.942 -0.652 17775 9851 1 17 . 1 1 31 31 GLN CA C 306 58.680 58.680 59.156 -0.476 17775 9852 1 17 . 1 1 31 31 GLN CB C 306 30.630 30.630 28.777 1.853 17775 9853 1 17 . 1 1 31 31 GLN H H 306 8.010 8.010 8.751 -0.741 17775 9854 1 17 . 1 1 32 32 ASN N N 307 113.230 113.230 112.816 0.414 17775 9855 1 17 . 1 1 32 32 ASN HA H 307 4.640 4.640 4.603 0.037 17775 9856 1 17 . 1 1 32 32 ASN C C 307 175.610 175.610 175.769 -0.159 17775 9857 1 17 . 1 1 32 32 ASN CA C 307 52.800 52.800 53.225 -0.425 17775 9858 1 17 . 1 1 32 32 ASN CB C 307 37.630 37.630 37.827 -0.197 17775 9859 1 17 . 1 1 32 32 ASN H H 307 8.360 8.360 8.329 0.031 17775 9860 1 17 . 1 1 33 33 ARG N N 308 119.580 119.580 121.984 -2.404 17775 9861 1 17 . 1 1 33 33 ARG HA H 308 4.140 4.140 4.328 -0.188 17775 9862 1 17 . 1 1 33 33 ARG CA C 308 56.950 56.950 56.617 0.333 17775 9863 1 17 . 1 1 33 33 ARG CB C 308 33.030 33.030 30.812 2.218 17775 9864 1 17 . 1 1 33 33 ARG H H 308 7.160 7.160 7.479 -0.319 17775 9865 1 17 . 1 1 34 34 ALA HA H 309 4.530 4.530 4.288 0.242 17775 9866 1 17 . 1 1 34 34 ALA C C 309 176.610 176.610 176.688 -0.078 17775 9867 1 17 . 1 1 34 34 ALA CA C 309 51.650 51.650 52.615 -0.965 17775 9868 1 17 . 1 1 34 34 ALA CB C 309 18.830 18.830 19.137 -0.307 17775 9869 1 17 . 1 1 35 35 ASP N N 310 117.680 117.680 118.875 -1.195 17775 9870 1 17 . 1 1 35 35 ASP HA H 310 4.660 4.660 4.646 0.014 17775 9871 1 17 . 1 1 35 35 ASP C C 310 176.740 176.740 177.110 -0.370 17775 9872 1 17 . 1 1 35 35 ASP CA C 310 52.240 52.240 52.952 -0.712 17775 9873 1 17 . 1 1 35 35 ASP CB C 310 41.580 41.580 40.614 0.966 17775 9874 1 17 . 1 1 35 35 ASP H H 310 7.460 7.460 7.702 -0.242 17775 9875 1 17 . 1 1 36 36 GLU N N 311 118.110 118.110 117.378 0.732 17775 9876 1 17 . 1 1 36 36 GLU HA H 311 3.870 3.870 4.054 -0.184 17775 9877 1 17 . 1 1 36 36 GLU C C 311 177.440 177.440 178.462 -1.022 17775 9878 1 17 . 1 1 36 36 GLU CA C 311 60.460 60.460 59.839 0.621 17775 9879 1 17 . 1 1 36 36 GLU CB C 311 27.660 27.660 29.385 -1.725 17775 9880 1 17 . 1 1 36 36 GLU H H 311 9.910 9.910 8.643 1.267 17775 9881 1 17 . 1 1 37 37 ILE N N 312 118.790 118.790 119.395 -0.605 17775 9882 1 17 . 1 1 37 37 ILE HA H 312 3.570 3.570 3.857 -0.287 17775 9883 1 17 . 1 1 37 37 ILE C C 312 177.460 177.460 178.148 -0.688 17775 9884 1 17 . 1 1 37 37 ILE CA C 312 63.170 63.170 62.799 0.371 17775 9885 1 17 . 1 1 37 37 ILE CB C 312 35.770 35.770 36.602 -0.832 17775 9886 1 17 . 1 1 37 37 ILE H H 312 7.420 7.420 7.608 -0.188 17775 9887 1 17 . 1 1 38 38 GLY N N 313 108.320 108.320 109.253 -0.933 17775 9888 1 17 . 1 1 38 38 GLY C C 313 176.200 176.200 176.156 0.044 17775 9889 1 17 . 1 1 38 38 GLY CA C 313 47.090 47.090 47.369 -0.279 17775 9890 1 17 . 1 1 38 38 GLY H H 313 7.510 7.510 7.875 -0.365 17775 9891 1 17 . 1 1 39 39 ILE N N 314 121.890 121.890 122.561 -0.671 17775 9892 1 17 . 1 1 39 39 ILE HA H 314 3.630 3.630 3.690 -0.060 17775 9893 1 17 . 1 1 39 39 ILE C C 314 179.070 179.070 177.588 1.482 17775 9894 1 17 . 1 1 39 39 ILE CA C 314 64.750 64.750 65.119 -0.369 17775 9895 1 17 . 1 1 39 39 ILE CB C 314 37.610 37.610 37.983 -0.373 17775 9896 1 17 . 1 1 39 39 ILE H H 314 7.390 7.390 7.645 -0.255 17775 9897 1 17 . 1 1 40 40 LEU N N 315 121.370 121.370 121.552 -0.182 17775 9898 1 17 . 1 1 40 40 LEU HA H 315 4.120 4.120 4.080 0.040 17775 9899 1 17 . 1 1 40 40 LEU C C 315 178.560 178.560 178.244 0.316 17775 9900 1 17 . 1 1 40 40 LEU CA C 315 57.620 57.620 57.766 -0.146 17775 9901 1 17 . 1 1 40 40 LEU CB C 315 41.490 41.490 41.536 -0.046 17775 9902 1 17 . 1 1 40 40 LEU H H 315 7.770 7.770 7.825 -0.055 17775 9903 1 17 . 1 1 41 41 ALA N N 316 123.480 123.480 121.623 1.857 17775 9904 1 17 . 1 1 41 41 ALA HA H 316 3.840 3.840 3.931 -0.091 17775 9905 1 17 . 1 1 41 41 ALA C C 316 179.700 179.700 179.500 0.200 17775 9906 1 17 . 1 1 41 41 ALA CA C 316 56.180 56.180 55.516 0.664 17775 9907 1 17 . 1 1 41 41 ALA CB C 316 19.870 19.870 18.378 1.492 17775 9908 1 17 . 1 1 41 41 ALA H H 316 9.020 9.020 8.073 0.947 17775 9909 1 17 . 1 1 42 42 LYS N N 317 116.890 116.890 118.448 -1.558 17775 9910 1 17 . 1 1 42 42 LYS HA H 317 3.900 3.900 3.921 -0.021 17775 9911 1 17 . 1 1 42 42 LYS C C 317 179.730 179.730 179.247 0.483 17775 9912 1 17 . 1 1 42 42 LYS CA C 317 60.430 60.430 59.756 0.674 17775 9913 1 17 . 1 1 42 42 LYS H H 317 8.320 8.320 7.990 0.330 17775 9914 1 17 . 1 1 43 43 SER N N 318 119.130 119.130 115.788 3.342 17775 9915 1 17 . 1 1 43 43 SER HA H 318 4.340 4.340 4.199 0.141 17775 9916 1 17 . 1 1 43 43 SER C C 318 177.430 177.430 176.659 0.771 17775 9917 1 17 . 1 1 43 43 SER CA C 318 62.630 62.630 61.949 0.681 17775 9918 1 17 . 1 1 43 43 SER CB C 318 63.050 63.050 62.928 0.122 17775 9919 1 17 . 1 1 43 43 SER H H 318 8.060 8.060 8.089 -0.029 17775 9920 1 17 . 1 1 44 44 ILE N N 319 124.020 124.020 123.180 0.840 17775 9921 1 17 . 1 1 44 44 ILE HA H 319 3.640 3.640 3.710 -0.070 17775 9922 1 17 . 1 1 44 44 ILE C C 319 177.190 177.190 177.814 -0.624 17775 9923 1 17 . 1 1 44 44 ILE CA C 319 65.020 65.020 65.148 -0.128 17775 9924 1 17 . 1 1 44 44 ILE CB C 319 36.790 36.790 37.617 -0.827 17775 9925 1 17 . 1 1 44 44 ILE H H 319 8.250 8.250 7.781 0.469 17775 9926 1 17 . 1 1 45 45 GLU N N 320 123.090 123.090 120.766 2.324 17775 9927 1 17 . 1 1 45 45 GLU HA H 320 4.600 4.600 3.967 0.633 17775 9928 1 17 . 1 1 45 45 GLU C C 320 178.190 178.190 178.631 -0.441 17775 9929 1 17 . 1 1 45 45 GLU CA C 320 58.430 58.430 59.422 -0.992 17775 9930 1 17 . 1 1 45 45 GLU CB C 320 27.700 27.700 29.204 -1.504 17775 9931 1 17 . 1 1 45 45 GLU H H 320 8.390 8.390 8.090 0.300 17775 9932 1 17 . 1 1 46 46 ARG N N 321 119.760 119.760 119.251 0.509 17775 9933 1 17 . 1 1 46 46 ARG HA H 321 3.930 3.930 4.051 -0.121 17775 9934 1 17 . 1 1 46 46 ARG C C 321 179.950 179.950 179.034 0.916 17775 9935 1 17 . 1 1 46 46 ARG CA C 321 60.440 60.440 59.403 1.038 17775 9936 1 17 . 1 1 46 46 ARG CB C 321 29.770 29.770 30.151 -0.381 17775 9937 1 17 . 1 1 46 46 ARG H H 321 8.000 8.000 7.789 0.211 17775 9938 1 17 . 1 1 47 47 LEU N N 322 121.360 121.360 119.245 2.115 17775 9939 1 17 . 1 1 47 47 LEU HA H 322 4.020 4.020 4.028 -0.008 17775 9940 1 17 . 1 1 47 47 LEU C C 322 178.040 178.040 178.723 -0.683 17775 9941 1 17 . 1 1 47 47 LEU CA C 322 58.550 58.550 57.969 0.581 17775 9942 1 17 . 1 1 47 47 LEU CB C 322 41.650 41.650 41.505 0.145 17775 9943 1 17 . 1 1 47 47 LEU H H 322 7.870 7.870 7.856 0.014 17775 9944 1 17 . 1 1 48 48 ARG N N 323 121.390 121.390 119.550 1.840 17775 9945 1 17 . 1 1 48 48 ARG HA H 323 3.690 3.690 3.935 -0.245 17775 9946 1 17 . 1 1 48 48 ARG C C 323 178.120 178.120 178.453 -0.333 17775 9947 1 17 . 1 1 48 48 ARG CA C 323 60.630 60.630 59.786 0.844 17775 9948 1 17 . 1 1 48 48 ARG CB C 323 30.230 30.230 29.994 0.235 17775 9949 1 17 . 1 1 48 48 ARG H H 323 8.730 8.730 7.924 0.806 17775 9950 1 17 . 1 1 49 49 ARG N N 324 116.720 116.720 118.886 -2.166 17775 9951 1 17 . 1 1 49 49 ARG HA H 324 3.840 3.840 3.991 -0.151 17775 9952 1 17 . 1 1 49 49 ARG C C 324 179.060 179.060 178.719 0.341 17775 9953 1 17 . 1 1 49 49 ARG CA C 324 59.930 59.930 59.819 0.111 17775 9954 1 17 . 1 1 49 49 ARG CB C 324 29.830 29.830 30.026 -0.195 17775 9955 1 17 . 1 1 49 49 ARG H H 324 8.550 8.550 8.081 0.469 17775 9956 1 17 . 1 1 50 50 SER N N 325 117.600 117.600 116.240 1.360 17775 9957 1 17 . 1 1 50 50 SER HA H 325 4.120 4.120 4.196 -0.076 17775 9958 1 17 . 1 1 50 50 SER C C 325 176.050 176.050 176.579 -0.529 17775 9959 1 17 . 1 1 50 50 SER CA C 325 62.630 62.630 62.672 -0.042 17775 9960 1 17 . 1 1 50 50 SER CB C 325 62.950 62.950 63.100 -0.150 17775 9961 1 17 . 1 1 50 50 SER H H 325 8.170 8.170 7.846 0.324 17775 9962 1 17 . 1 1 51 51 LEU N N 326 123.730 123.730 122.201 1.529 17775 9963 1 17 . 1 1 51 51 LEU HA H 326 3.990 3.990 3.978 0.012 17775 9964 1 17 . 1 1 51 51 LEU C C 326 177.380 177.380 178.481 -1.101 17775 9965 1 17 . 1 1 51 51 LEU CA C 326 58.580 58.580 58.048 0.532 17775 9966 1 17 . 1 1 51 51 LEU CB C 326 42.190 42.190 41.665 0.525 17775 9967 1 17 . 1 1 51 51 LEU H H 326 8.190 8.190 7.808 0.382 17775 9968 1 17 . 1 1 52 52 LYS N N 327 119.170 119.170 119.110 0.060 17775 9969 1 17 . 1 1 52 52 LYS HA H 327 3.860 3.860 3.866 -0.006 17775 9970 1 17 . 1 1 52 52 LYS C C 327 179.050 179.050 178.796 0.254 17775 9971 1 17 . 1 1 52 52 LYS CA C 327 59.700 59.700 59.670 0.030 17775 9972 1 17 . 1 1 52 52 LYS CB C 327 32.020 32.020 32.155 -0.135 17775 9973 1 17 . 1 1 52 52 LYS H H 327 8.580 8.580 7.982 0.598 17775 9974 1 17 . 1 1 53 53 GLN N N 328 118.180 118.180 119.486 -1.306 17775 9975 1 17 . 1 1 53 53 GLN HA H 328 4.080 4.080 4.070 0.010 17775 9976 1 17 . 1 1 53 53 GLN C C 328 177.960 177.960 178.541 -0.581 17775 9977 1 17 . 1 1 53 53 GLN CA C 328 58.690 58.690 59.069 -0.379 17775 9978 1 17 . 1 1 53 53 GLN CB C 328 28.450 28.450 28.710 -0.260 17775 9979 1 17 . 1 1 53 53 GLN H H 328 8.080 8.080 8.014 0.066 17775 9980 1 17 . 1 1 54 54 LEU N N 329 118.740 118.740 119.559 -0.819 17775 9981 1 17 . 1 1 54 54 LEU HA H 329 4.150 4.150 4.086 0.064 17775 9982 1 17 . 1 1 54 54 LEU C C 329 179.580 179.580 179.075 0.505 17775 9983 1 17 . 1 1 54 54 LEU CA C 329 58.080 58.080 57.539 0.541 17775 9984 1 17 . 1 1 54 54 LEU CB C 329 42.620 42.620 41.777 0.843 17775 9985 1 17 . 1 1 54 54 LEU H H 329 7.680 7.680 8.025 -0.345 17775 9986 1 17 . 1 1 55 55 ALA N N 330 123.330 123.330 122.287 1.043 17775 9987 1 17 . 1 1 55 55 ALA HA H 330 4.050 4.050 3.911 0.139 17775 9988 1 17 . 1 1 55 55 ALA C C 330 180.530 180.530 179.395 1.135 17775 9989 1 17 . 1 1 55 55 ALA CA C 330 55.630 55.630 55.496 0.134 17775 9990 1 17 . 1 1 55 55 ALA CB C 330 18.320 18.320 17.980 0.340 17775 9991 1 17 . 1 1 55 55 ALA H H 330 8.390 8.390 8.108 0.282 17775 9992 1 17 . 1 1 56 56 ASP N N 331 121.350 121.350 119.193 2.157 17775 9993 1 17 . 1 1 56 56 ASP HA H 331 4.420 4.420 4.353 0.067 17775 9994 1 17 . 1 1 56 56 ASP C C 331 179.100 179.100 178.551 0.549 17775 9995 1 17 . 1 1 56 56 ASP CA C 331 57.430 57.430 57.312 0.118 17775 9996 1 17 . 1 1 56 56 ASP CB C 331 39.630 39.630 40.176 -0.546 17775 9997 1 17 . 1 1 56 56 ASP H H 331 8.820 8.820 8.034 0.786 17775 9998 1 17 . 1 1 57 57 ASP N N 332 121.570 121.570 120.073 1.497 17775 9999 1 17 . 1 1 57 57 ASP HA H 332 4.490 4.490 4.360 0.130 17775 10000 1 17 . 1 1 57 57 ASP C C 332 179.080 179.080 178.579 0.501 17775 10001 1 17 . 1 1 57 57 ASP CA C 332 57.380 57.380 57.248 0.132 17775 10002 1 17 . 1 1 57 57 ASP CB C 332 40.440 40.440 40.472 -0.032 17775 10003 1 17 . 1 1 57 57 ASP H H 332 8.420 8.420 8.107 0.313 17775 10004 1 17 . 1 1 58 58 ARG N N 333 120.250 120.250 120.234 0.016 17775 10005 1 17 . 1 1 58 58 ARG HA H 333 3.940 3.940 3.975 -0.035 17775 10006 1 17 . 1 1 58 58 ARG C C 333 177.770 177.770 178.577 -0.807 17775 10007 1 17 . 1 1 58 58 ARG CA C 333 58.790 58.790 59.645 -0.855 17775 10008 1 17 . 1 1 58 58 ARG CB C 333 30.300 30.300 30.445 -0.145 17775 10009 1 17 . 1 1 58 58 ARG H H 333 7.900 7.900 7.973 -0.073 17775 10010 1 17 . 1 1 59 59 THR N N 334 115.160 115.160 113.707 1.453 17775 10011 1 17 . 1 1 59 59 THR HA H 334 3.960 3.960 4.049 -0.089 17775 10012 1 17 . 1 1 59 59 THR C C 334 176.690 176.690 176.822 -0.132 17775 10013 1 17 . 1 1 59 59 THR CA C 334 66.430 66.430 66.068 0.362 17775 10014 1 17 . 1 1 59 59 THR CB C 334 68.720 68.720 68.623 0.097 17775 10015 1 17 . 1 1 59 59 THR H H 334 7.940 7.940 7.652 0.288 17775 10016 1 17 . 1 1 60 60 LEU N N 335 123.040 123.040 122.237 0.803 17775 10017 1 17 . 1 1 60 60 LEU HA H 335 4.070 4.070 3.959 0.111 17775 10018 1 17 . 1 1 60 60 LEU C C 335 180.040 180.040 179.033 1.007 17775 10019 1 17 . 1 1 60 60 LEU CA C 335 57.690 57.690 57.558 0.132 17775 10020 1 17 . 1 1 60 60 LEU CB C 335 41.810 41.810 41.516 0.294 17775 10021 1 17 . 1 1 60 60 LEU H H 335 7.860 7.860 7.822 0.038 17775 10022 1 17 . 1 1 61 61 LEU N N 336 121.600 121.600 120.390 1.210 17775 10023 1 17 . 1 1 61 61 LEU HA H 336 4.020 4.020 3.895 0.125 17775 10024 1 17 . 1 1 61 61 LEU C C 336 179.360 179.360 178.399 0.961 17775 10025 1 17 . 1 1 61 61 LEU CA C 336 57.900 57.900 58.206 -0.306 17775 10026 1 17 . 1 1 61 61 LEU CB C 336 41.970 41.970 41.803 0.167 17775 10027 1 17 . 1 1 61 61 LEU H H 336 8.180 8.180 8.152 0.028 17775 10028 1 17 . 1 1 62 62 MET N N 337 116.900 116.900 118.697 -1.797 17775 10029 1 17 . 1 1 62 62 MET HA H 337 4.110 4.110 3.861 0.249 17775 10030 1 17 . 1 1 62 62 MET C C 337 179.750 179.750 177.955 1.795 17775 10031 1 17 . 1 1 62 62 MET CA C 337 57.850 57.850 59.153 -1.303 17775 10032 1 17 . 1 1 62 62 MET CB C 337 32.200 32.200 32.454 -0.254 17775 10033 1 17 . 1 1 62 62 MET H H 337 8.160 8.160 7.566 0.594 17775 10034 1 17 . 1 1 63 63 ALA N N 338 122.990 122.990 120.461 2.529 17775 10035 1 17 . 1 1 63 63 ALA HA H 338 4.110 4.110 4.014 0.096 17775 10036 1 17 . 1 1 63 63 ALA C C 338 180.420 180.420 179.514 0.906 17775 10037 1 17 . 1 1 63 63 ALA CA C 338 55.270 55.270 55.300 -0.030 17775 10038 1 17 . 1 1 63 63 ALA CB C 338 17.960 17.960 18.016 -0.056 17775 10039 1 17 . 1 1 63 63 ALA H H 338 8.090 8.090 7.821 0.269 17775 10040 1 17 . 1 1 64 64 GLY N N 339 106.980 106.980 107.045 -0.065 17775 10041 1 17 . 1 1 64 64 GLY C C 339 175.240 175.240 176.294 -1.054 17775 10042 1 17 . 1 1 64 64 GLY CA C 339 47.190 47.190 47.288 -0.098 17775 10043 1 17 . 1 1 64 64 GLY H H 339 8.070 8.070 7.988 0.082 17775 10044 1 17 . 1 1 65 65 VAL N N 340 120.660 120.660 121.843 -1.183 17775 10045 1 17 . 1 1 65 65 VAL HA H 340 3.780 3.780 3.645 0.135 17775 10046 1 17 . 1 1 65 65 VAL C C 340 176.960 176.960 178.120 -1.160 17775 10047 1 17 . 1 1 65 65 VAL CA C 340 65.620 65.620 66.035 -0.415 17775 10048 1 17 . 1 1 65 65 VAL CB C 340 31.690 31.690 30.940 0.750 17775 10049 1 17 . 1 1 65 65 VAL H H 340 8.100 8.100 7.725 0.375 17775 10050 1 17 . 1 1 66 66 SER N N 341 112.150 112.150 115.472 -3.322 17775 10051 1 17 . 1 1 66 66 SER HA H 341 4.000 4.000 4.050 -0.050 17775 10052 1 17 . 1 1 66 66 SER C C 341 175.860 175.860 176.688 -0.828 17775 10053 1 17 . 1 1 66 66 SER CA C 341 61.240 61.240 62.106 -0.866 17775 10054 1 17 . 1 1 66 66 SER CB C 341 63.260 63.260 62.974 0.286 17775 10055 1 17 . 1 1 66 66 SER H H 341 7.810 7.810 7.810 -0.000 17775 10056 1 17 . 1 1 67 67 HIS N N 342 118.910 118.910 121.151 -2.241 17775 10057 1 17 . 1 1 67 67 HIS HA H 342 4.440 4.440 4.239 0.201 17775 10058 1 17 . 1 1 67 67 HIS C C 342 177.780 177.780 178.007 -0.227 17775 10059 1 17 . 1 1 67 67 HIS CA C 342 59.160 59.160 59.910 -0.750 17775 10060 1 17 . 1 1 67 67 HIS CB C 342 30.400 30.400 30.145 0.254 17775 10061 1 17 . 1 1 67 67 HIS H H 342 7.830 7.830 7.951 -0.121 17775 10062 1 17 . 1 1 68 68 ASP N N 343 120.590 120.590 120.164 0.426 17775 10063 1 17 . 1 1 68 68 ASP HA H 343 4.440 4.440 4.361 0.079 17775 10064 1 17 . 1 1 68 68 ASP C C 343 178.470 178.470 178.937 -0.467 17775 10065 1 17 . 1 1 68 68 ASP CA C 343 57.500 57.500 57.377 0.123 17775 10066 1 17 . 1 1 68 68 ASP CB C 343 39.880 39.880 40.399 -0.519 17775 10067 1 17 . 1 1 68 68 ASP H H 343 8.580 8.580 8.016 0.564 17775 10068 1 17 . 1 1 69 69 LEU N N 344 117.900 117.900 119.563 -1.663 17775 10069 1 17 . 1 1 69 69 LEU HA H 344 4.190 4.190 3.973 0.217 17775 10070 1 17 . 1 1 69 69 LEU C C 344 177.010 177.010 178.338 -1.328 17775 10071 1 17 . 1 1 69 69 LEU CA C 344 56.810 56.810 57.387 -0.577 17775 10072 1 17 . 1 1 69 69 LEU CB C 344 43.300 43.300 41.503 1.797 17775 10073 1 17 . 1 1 69 69 LEU H H 344 8.300 8.300 7.887 0.413 17775 10074 1 17 . 1 1 70 70 ARG N N 345 114.380 114.380 118.561 -4.181 17775 10075 1 17 . 1 1 70 70 ARG HA H 345 3.930 3.930 3.882 0.048 17775 10076 1 17 . 1 1 70 70 ARG C C 345 178.840 178.840 178.154 0.686 17775 10077 1 17 . 1 1 70 70 ARG CA C 345 59.420 59.420 59.823 -0.403 17775 10078 1 17 . 1 1 70 70 ARG CB C 345 30.210 30.210 29.866 0.343 17775 10079 1 17 . 1 1 70 70 ARG H H 345 7.280 7.280 7.773 -0.493 17775 10080 1 17 . 1 1 71 71 THR N N 346 115.370 115.370 115.049 0.321 17775 10081 1 17 . 1 1 71 71 THR HA H 346 4.060 4.060 4.186 -0.126 17775 10082 1 17 . 1 1 71 71 THR CA C 346 68.800 68.800 67.955 0.845 17775 10083 1 17 . 1 1 71 71 THR CB C 346 66.590 66.590 66.294 0.296 17775 10084 1 17 . 1 1 71 71 THR H H 346 7.540 7.540 7.577 -0.037 17775 10085 1 17 . 1 1 72 72 PRO HA H 347 4.090 4.090 4.283 -0.193 17775 10086 1 17 . 1 1 72 72 PRO CA C 347 65.860 65.860 65.670 0.190 17775 10087 1 17 . 1 1 72 72 PRO CB C 347 31.380 31.380 31.273 0.107 17775 10088 1 17 . 1 1 73 73 LEU N N 348 114.830 114.830 119.056 -4.226 17775 10089 1 17 . 1 1 73 73 LEU HA H 348 3.950 3.950 3.899 0.051 17775 10090 1 17 . 1 1 73 73 LEU C C 348 179.120 179.120 179.212 -0.092 17775 10091 1 17 . 1 1 73 73 LEU CA C 348 58.450 58.450 58.197 0.253 17775 10092 1 17 . 1 1 73 73 LEU CB C 348 41.320 41.320 41.719 -0.399 17775 10093 1 17 . 1 1 73 73 LEU H H 348 6.970 6.970 7.696 -0.726 17775 10094 1 17 . 1 1 74 74 THR N N 349 116.230 116.230 114.860 1.370 17775 10095 1 17 . 1 1 74 74 THR HA H 349 3.880 3.880 3.920 -0.040 17775 10096 1 17 . 1 1 74 74 THR C C 349 176.100 176.100 176.705 -0.605 17775 10097 1 17 . 1 1 74 74 THR CA C 349 66.760 66.760 67.052 -0.292 17775 10098 1 17 . 1 1 74 74 THR CB C 349 68.770 68.770 68.345 0.425 17775 10099 1 17 . 1 1 74 74 THR H H 349 8.090 8.090 7.870 0.220 17775 10100 1 17 . 1 1 75 75 ARG N N 350 121.190 121.190 121.695 -0.505 17775 10101 1 17 . 1 1 75 75 ARG HA H 350 3.970 3.970 4.014 -0.044 17775 10102 1 17 . 1 1 75 75 ARG C C 350 180.130 180.130 178.703 1.427 17775 10103 1 17 . 1 1 75 75 ARG CA C 350 61.030 61.030 59.749 1.281 17775 10104 1 17 . 1 1 75 75 ARG CB C 350 31.080 31.080 30.044 1.036 17775 10105 1 17 . 1 1 75 75 ARG H H 350 7.570 7.570 7.607 -0.037 17775 10106 1 17 . 1 1 76 76 ILE N N 351 122.150 122.150 119.910 2.240 17775 10107 1 17 . 1 1 76 76 ILE HA H 351 3.700 3.700 3.629 0.071 17775 10108 1 17 . 1 1 76 76 ILE C C 351 177.070 177.070 177.660 -0.590 17775 10109 1 17 . 1 1 76 76 ILE CA C 351 65.560 65.560 65.185 0.375 17775 10110 1 17 . 1 1 76 76 ILE CB C 351 37.650 37.650 37.520 0.130 17775 10111 1 17 . 1 1 76 76 ILE H H 351 8.060 8.060 7.873 0.187 17775 10112 1 17 . 1 1 77 77 ARG N N 352 120.120 120.120 120.685 -0.565 17775 10113 1 17 . 1 1 77 77 ARG HA H 352 3.930 3.930 4.034 -0.104 17775 10114 1 17 . 1 1 77 77 ARG C C 352 179.580 179.580 178.916 0.664 17775 10115 1 17 . 1 1 77 77 ARG CA C 352 59.340 59.340 59.534 -0.194 17775 10116 1 17 . 1 1 77 77 ARG CB C 352 29.690 29.690 30.255 -0.565 17775 10117 1 17 . 1 1 77 77 ARG H H 352 7.700 7.700 7.631 0.069 17775 10118 1 17 . 1 1 78 78 LEU N N 353 119.970 119.970 118.593 1.377 17775 10119 1 17 . 1 1 78 78 LEU HA H 353 4.000 4.000 4.036 -0.036 17775 10120 1 17 . 1 1 78 78 LEU C C 353 179.600 179.600 178.921 0.679 17775 10121 1 17 . 1 1 78 78 LEU CA C 353 57.910 57.910 57.853 0.057 17775 10122 1 17 . 1 1 78 78 LEU CB C 353 41.430 41.430 41.961 -0.531 17775 10123 1 17 . 1 1 78 78 LEU H H 353 8.260 8.260 7.856 0.404 17775 10124 1 17 . 1 1 79 79 ALA N N 354 122.390 122.390 120.748 1.642 17775 10125 1 17 . 1 1 79 79 ALA HA H 354 4.070 4.070 4.041 0.029 17775 10126 1 17 . 1 1 79 79 ALA C C 354 180.620 180.620 179.216 1.404 17775 10127 1 17 . 1 1 79 79 ALA CA C 354 55.270 55.270 54.941 0.329 17775 10128 1 17 . 1 1 79 79 ALA CB C 354 18.030 18.030 18.547 -0.517 17775 10129 1 17 . 1 1 79 79 ALA H H 354 7.850 7.850 7.811 0.039 17775 10130 1 17 . 1 1 80 80 THR N N 355 107.540 107.540 110.770 -3.230 17775 10131 1 17 . 1 1 80 80 THR HA H 355 3.990 3.990 4.022 -0.032 17775 10132 1 17 . 1 1 80 80 THR C C 355 177.250 177.250 176.179 1.071 17775 10133 1 17 . 1 1 80 80 THR CA C 355 64.970 64.970 65.294 -0.324 17775 10134 1 17 . 1 1 80 80 THR CB C 355 69.020 69.020 68.420 0.600 17775 10135 1 17 . 1 1 80 80 THR H H 355 7.930 7.930 7.908 0.022 17775 10136 1 17 . 1 1 81 81 GLU N N 356 120.380 120.380 118.611 1.769 17775 10137 1 17 . 1 1 81 81 GLU HA H 356 4.090 4.090 4.214 -0.124 17775 10138 1 17 . 1 1 81 81 GLU C C 356 177.280 177.280 177.457 -0.177 17775 10139 1 17 . 1 1 81 81 GLU CA C 356 58.020 58.020 57.709 0.311 17775 10140 1 17 . 1 1 81 81 GLU CB C 356 29.490 29.490 29.758 -0.268 17775 10141 1 17 . 1 1 81 81 GLU H H 356 7.380 7.380 7.575 -0.195 17775 10142 1 17 . 1 1 82 82 MET N N 357 115.510 115.510 116.825 -1.315 17775 10143 1 17 . 1 1 82 82 MET HA H 357 4.480 4.480 4.297 0.183 17775 10144 1 17 . 1 1 82 82 MET C C 357 176.140 176.140 176.960 -0.820 17775 10145 1 17 . 1 1 82 82 MET CA C 357 54.810 54.810 56.074 -1.264 17775 10146 1 17 . 1 1 82 82 MET CB C 357 32.660 32.660 33.461 -0.801 17775 10147 1 17 . 1 1 82 82 MET H H 357 7.480 7.480 7.421 0.059 17775 10148 1 17 . 1 1 83 83 MET N N 358 119.530 119.530 117.575 1.955 17775 10149 1 17 . 1 1 83 83 MET HA H 358 4.020 4.020 4.314 -0.294 17775 10150 1 17 . 1 1 83 83 MET C C 358 175.670 175.670 176.183 -0.513 17775 10151 1 17 . 1 1 83 83 MET CA C 358 57.430 57.430 55.837 1.593 17775 10152 1 17 . 1 1 83 83 MET CB C 358 33.860 33.860 33.295 0.565 17775 10153 1 17 . 1 1 83 83 MET H H 358 7.010 7.010 7.451 -0.441 17775 10154 1 17 . 1 1 84 84 SER N N 359 119.110 119.110 117.827 1.283 17775 10155 1 17 . 1 1 84 84 SER HA H 359 4.300 4.300 4.547 -0.247 17775 10156 1 17 . 1 1 84 84 SER C C 359 176.160 176.160 175.574 0.586 17775 10157 1 17 . 1 1 84 84 SER CA C 359 59.170 59.170 57.602 1.569 17775 10158 1 17 . 1 1 84 84 SER CB C 359 64.540 64.540 64.594 -0.054 17775 10159 1 17 . 1 1 84 84 SER H H 359 9.630 9.630 8.231 1.399 17775 10160 1 17 . 1 1 85 85 GLU N N 360 124.090 124.090 121.149 2.941 17775 10161 1 17 . 1 1 85 85 GLU CA C 360 58.880 58.880 59.022 -0.142 17775 10162 1 17 . 1 1 85 85 GLU CB C 360 29.560 29.560 29.274 0.286 17775 10163 1 17 . 1 1 85 85 GLU H H 360 8.810 8.810 8.976 -0.166 17775 10164 1 17 . 1 1 86 86 GLN HA H 361 4.220 4.220 4.187 0.033 17775 10165 1 17 . 1 1 86 86 GLN C C 361 176.370 176.370 177.053 -0.683 17775 10166 1 17 . 1 1 86 86 GLN CA C 361 58.440 58.440 57.991 0.449 17775 10167 1 17 . 1 1 86 86 GLN CB C 361 28.290 28.290 28.684 -0.394 17775 10168 1 17 . 1 1 87 87 ASP N N 362 118.700 118.700 118.227 0.473 17775 10169 1 17 . 1 1 87 87 ASP HA H 362 5.070 5.070 4.564 0.506 17775 10170 1 17 . 1 1 87 87 ASP C C 362 176.740 176.740 176.424 0.316 17775 10171 1 17 . 1 1 87 87 ASP CA C 362 53.710 53.710 53.065 0.645 17775 10172 1 17 . 1 1 87 87 ASP CB C 362 40.980 40.980 40.731 0.249 17775 10173 1 17 . 1 1 87 87 ASP H H 362 7.640 7.640 7.525 0.115 17775 10174 1 17 . 1 1 88 88 GLY N N 363 110.410 110.410 109.118 1.292 17775 10175 1 17 . 1 1 88 88 GLY CA C 363 47.890 47.890 47.428 0.462 17775 10176 1 17 . 1 1 88 88 GLY H H 363 7.940 7.940 8.162 -0.222 17775 10177 1 17 . 1 1 89 89 TYR HA H 364 4.430 4.430 4.230 0.200 17775 10178 1 17 . 1 1 89 89 TYR C C 364 177.600 177.600 177.684 -0.084 17775 10179 1 17 . 1 1 89 89 TYR CA C 364 59.970 59.970 59.773 0.197 17775 10180 1 17 . 1 1 89 89 TYR CB C 364 37.100 37.100 37.260 -0.160 17775 10181 1 17 . 1 1 89 89 TYR H H 364 8.470 8.470 8.280 0.190 17775 10182 1 17 . 1 1 90 90 LEU N N 365 124.000 124.000 119.846 4.154 17775 10183 1 17 . 1 1 90 90 LEU HA H 365 3.920 3.920 3.946 -0.026 17775 10184 1 17 . 1 1 90 90 LEU C C 365 178.180 178.180 178.649 -0.469 17775 10185 1 17 . 1 1 90 90 LEU CA C 365 57.050 57.050 56.579 0.471 17775 10186 1 17 . 1 1 90 90 LEU CB C 365 41.930 41.930 40.999 0.931 17775 10187 1 17 . 1 1 90 90 LEU H H 365 7.080 7.080 7.085 -0.005 17775 10188 1 17 . 1 1 91 91 ALA N N 366 123.150 123.150 122.536 0.614 17775 10189 1 17 . 1 1 91 91 ALA HA H 366 3.790 3.790 3.979 -0.189 17775 10190 1 17 . 1 1 91 91 ALA C C 366 179.610 179.610 179.635 -0.025 17775 10191 1 17 . 1 1 91 91 ALA CA C 366 55.910 55.910 54.818 1.093 17775 10192 1 17 . 1 1 91 91 ALA CB C 366 18.450 18.450 18.319 0.131 17775 10193 1 17 . 1 1 91 91 ALA H H 366 7.880 7.880 7.614 0.266 17775 10194 1 17 . 1 1 92 92 GLU N N 367 116.750 116.750 117.959 -1.209 17775 10195 1 17 . 1 1 92 92 GLU HA H 367 4.010 4.010 3.957 0.053 17775 10196 1 17 . 1 1 92 92 GLU C C 367 177.910 177.910 179.047 -1.137 17775 10197 1 17 . 1 1 92 92 GLU CA C 367 59.420 59.420 59.576 -0.156 17775 10198 1 17 . 1 1 92 92 GLU CB C 367 29.620 29.620 29.365 0.255 17775 10199 1 17 . 1 1 92 92 GLU H H 367 8.100 8.100 8.544 -0.444 17775 10200 1 17 . 1 1 93 93 SER N N 368 115.480 115.480 114.533 0.947 17775 10201 1 17 . 1 1 93 93 SER HA H 368 4.060 4.060 4.218 -0.158 17775 10202 1 17 . 1 1 93 93 SER C C 368 176.360 176.360 176.293 0.067 17775 10203 1 17 . 1 1 93 93 SER CA C 368 61.610 61.610 61.857 -0.247 17775 10204 1 17 . 1 1 93 93 SER CB C 368 63.080 63.080 62.855 0.225 17775 10205 1 17 . 1 1 93 93 SER H H 368 7.520 7.520 7.485 0.035 17775 10206 1 17 . 1 1 94 94 ILE N N 369 121.710 121.710 121.983 -0.273 17775 10207 1 17 . 1 1 94 94 ILE HA H 369 4.000 4.000 3.930 0.070 17775 10208 1 17 . 1 1 94 94 ILE C C 369 178.000 178.000 177.867 0.133 17775 10209 1 17 . 1 1 94 94 ILE CA C 369 65.470 65.470 64.933 0.537 17775 10210 1 17 . 1 1 94 94 ILE CB C 369 38.030 38.030 37.498 0.532 17775 10211 1 17 . 1 1 94 94 ILE H H 369 8.400 8.400 7.503 0.897 17775 10212 1 17 . 1 1 95 95 ASN N N 370 117.810 117.810 118.946 -1.136 17775 10213 1 17 . 1 1 95 95 ASN HA H 370 4.290 4.290 4.402 -0.112 17775 10214 1 17 . 1 1 95 95 ASN C C 370 179.730 179.730 177.738 1.992 17775 10215 1 17 . 1 1 95 95 ASN CA C 370 57.340 57.340 56.585 0.755 17775 10216 1 17 . 1 1 95 95 ASN CB C 370 38.280 38.280 38.198 0.082 17775 10217 1 17 . 1 1 95 95 ASN H H 370 8.270 8.270 8.192 0.078 17775 10218 1 17 . 1 1 96 96 LYS N N 371 121.220 121.220 120.307 0.913 17775 10219 1 17 . 1 1 96 96 LYS HA H 371 4.090 4.090 4.008 0.082 17775 10220 1 17 . 1 1 96 96 LYS C C 371 179.250 179.250 178.725 0.525 17775 10221 1 17 . 1 1 96 96 LYS CA C 371 59.650 59.650 59.889 -0.239 17775 10222 1 17 . 1 1 96 96 LYS CB C 371 31.730 31.730 32.370 -0.640 17775 10223 1 17 . 1 1 96 96 LYS H H 371 7.960 7.960 7.897 0.063 17775 10224 1 17 . 1 1 97 97 ASP N N 372 122.870 122.870 119.808 3.062 17775 10225 1 17 . 1 1 97 97 ASP HA H 372 4.060 4.060 4.428 -0.368 17775 10226 1 17 . 1 1 97 97 ASP C C 372 179.300 179.300 178.854 0.446 17775 10227 1 17 . 1 1 97 97 ASP CA C 372 58.400 58.400 57.308 1.092 17775 10228 1 17 . 1 1 97 97 ASP CB C 372 41.130 41.130 40.667 0.463 17775 10229 1 17 . 1 1 97 97 ASP H H 372 7.920 7.920 7.789 0.131 17775 10230 1 17 . 1 1 98 98 ILE N N 373 123.090 123.090 116.158 6.932 17775 10231 1 17 . 1 1 98 98 ILE HA H 373 3.620 3.620 3.803 -0.183 17775 10232 1 17 . 1 1 98 98 ILE C C 373 178.330 178.330 177.658 0.672 17775 10233 1 17 . 1 1 98 98 ILE CA C 373 65.080 65.080 64.576 0.504 17775 10234 1 17 . 1 1 98 98 ILE CB C 373 37.260 37.260 37.436 -0.176 17775 10235 1 17 . 1 1 98 98 ILE H H 373 8.720 8.720 7.711 1.009 17775 10236 1 17 . 1 1 99 99 GLU N N 374 120.550 120.550 121.183 -0.633 17775 10237 1 17 . 1 1 99 99 GLU HA H 374 4.120 4.120 3.883 0.237 17775 10238 1 17 . 1 1 99 99 GLU C C 374 179.740 179.740 178.582 1.158 17775 10239 1 17 . 1 1 99 99 GLU CA C 374 59.570 59.570 60.012 -0.442 17775 10240 1 17 . 1 1 99 99 GLU CB C 374 28.910 28.910 29.362 -0.452 17775 10241 1 17 . 1 1 99 99 GLU H H 374 8.100 8.100 8.083 0.017 17775 10242 1 17 . 1 1 100 100 GLU N N 375 122.040 122.040 119.663 2.377 17775 10243 1 17 . 1 1 100 100 GLU HA H 375 4.140 4.140 4.045 0.095 17775 10244 1 17 . 1 1 100 100 GLU C C 375 178.810 178.810 178.924 -0.114 17775 10245 1 17 . 1 1 100 100 GLU CA C 375 59.830 59.830 59.337 0.493 17775 10246 1 17 . 1 1 100 100 GLU CB C 375 29.220 29.220 29.605 -0.385 17775 10247 1 17 . 1 1 100 100 GLU H H 375 8.060 8.060 7.756 0.304 17775 10248 1 17 . 1 1 101 101 CYS N N 376 117.330 117.330 117.661 -0.331 17775 10249 1 17 . 1 1 101 101 CYS HA H 376 3.960 3.960 4.046 -0.086 17775 10250 1 17 . 1 1 101 101 CYS C C 376 176.540 176.540 176.973 -0.433 17775 10251 1 17 . 1 1 101 101 CYS CA C 376 64.510 64.510 64.428 0.082 17775 10252 1 17 . 1 1 101 101 CYS CB C 376 27.270 27.270 27.343 -0.073 17775 10253 1 17 . 1 1 101 101 CYS H H 376 8.130 8.130 7.900 0.230 17775 10254 1 17 . 1 1 102 102 ASN N N 377 117.140 117.140 118.168 -1.028 17775 10255 1 17 . 1 1 102 102 ASN HA H 377 4.290 4.290 4.404 -0.114 17775 10256 1 17 . 1 1 102 102 ASN C C 377 176.980 176.980 177.581 -0.601 17775 10257 1 17 . 1 1 102 102 ASN CA C 377 56.460 56.460 56.254 0.206 17775 10258 1 17 . 1 1 102 102 ASN CB C 377 38.440 38.440 38.067 0.373 17775 10259 1 17 . 1 1 102 102 ASN H H 377 8.430 8.430 7.986 0.444 17775 10260 1 17 . 1 1 103 103 ALA N N 378 123.350 123.350 123.463 -0.113 17775 10261 1 17 . 1 1 103 103 ALA HA H 378 4.130 4.130 4.085 0.045 17775 10262 1 17 . 1 1 103 103 ALA C C 378 180.510 180.510 179.551 0.959 17775 10263 1 17 . 1 1 103 103 ALA CA C 378 55.120 55.120 54.987 0.133 17775 10264 1 17 . 1 1 103 103 ALA CB C 378 17.960 17.960 18.610 -0.650 17775 10265 1 17 . 1 1 103 103 ALA H H 378 8.130 8.130 7.761 0.369 17775 10266 1 17 . 1 1 104 104 ILE N N 379 120.880 120.880 119.131 1.749 17775 10267 1 17 . 1 1 104 104 ILE HA H 379 3.680 3.680 3.599 0.081 17775 10268 1 17 . 1 1 104 104 ILE C C 379 178.260 178.260 178.157 0.103 17775 10269 1 17 . 1 1 104 104 ILE CA C 379 64.860 64.860 65.937 -1.077 17775 10270 1 17 . 1 1 104 104 ILE CB C 379 38.080 38.080 37.991 0.089 17775 10271 1 17 . 1 1 104 104 ILE H H 379 8.010 8.010 7.562 0.448 17775 10272 1 17 . 1 1 105 105 ILE N N 380 119.970 119.970 120.085 -0.115 17775 10273 1 17 . 1 1 105 105 ILE HA H 380 3.430 3.430 3.796 -0.366 17775 10274 1 17 . 1 1 105 105 ILE C C 380 177.660 177.660 178.151 -0.491 17775 10275 1 17 . 1 1 105 105 ILE CA C 380 65.490 65.490 65.880 -0.391 17775 10276 1 17 . 1 1 105 105 ILE CB C 380 38.060 38.060 37.697 0.363 17775 10277 1 17 . 1 1 105 105 ILE H H 380 8.060 8.060 7.753 0.307 17775 10278 1 17 . 1 1 106 106 GLU N N 381 118.640 118.640 120.198 -1.558 17775 10279 1 17 . 1 1 106 106 GLU HA H 381 3.970 3.970 3.870 0.100 17775 10280 1 17 . 1 1 106 106 GLU C C 381 178.440 178.440 178.701 -0.261 17775 10281 1 17 . 1 1 106 106 GLU CA C 381 59.260 59.260 59.784 -0.524 17775 10282 1 17 . 1 1 106 106 GLU CB C 381 29.570 29.570 29.530 0.040 17775 10283 1 17 . 1 1 106 106 GLU H H 381 8.140 8.140 8.027 0.113 17775 10284 1 17 . 1 1 107 107 GLN N N 382 117.770 117.770 119.080 -1.310 17775 10285 1 17 . 1 1 107 107 GLN HA H 382 4.040 4.040 4.013 0.027 17775 10286 1 17 . 1 1 107 107 GLN C C 382 177.550 177.550 178.551 -1.001 17775 10287 1 17 . 1 1 107 107 GLN CA C 382 58.170 58.170 58.987 -0.817 17775 10288 1 17 . 1 1 107 107 GLN CB C 382 28.770 28.770 28.496 0.274 17775 10289 1 17 . 1 1 107 107 GLN H H 382 7.710 7.710 7.743 -0.033 17775 10290 1 17 . 1 1 108 108 PHE N N 383 118.750 118.750 118.602 0.148 17775 10291 1 17 . 1 1 108 108 PHE HA H 383 4.490 4.490 4.192 0.298 17775 10292 1 17 . 1 1 108 108 PHE C C 383 176.570 176.570 178.179 -1.609 17775 10293 1 17 . 1 1 108 108 PHE CA C 383 59.360 59.360 62.342 -2.982 17775 10294 1 17 . 1 1 108 108 PHE CB C 383 38.760 38.760 38.775 -0.015 17775 10295 1 17 . 1 1 108 108 PHE H H 383 7.880 7.880 7.696 0.184 17775 10296 1 17 . 1 1 109 109 ILE N N 384 118.200 118.200 120.724 -2.524 17775 10297 1 17 . 1 1 109 109 ILE HA H 384 3.720 3.720 3.729 -0.009 17775 10298 1 17 . 1 1 109 109 ILE C C 384 177.450 177.450 178.248 -0.798 17775 10299 1 17 . 1 1 109 109 ILE CA C 384 64.280 64.280 65.185 -0.905 17775 10300 1 17 . 1 1 109 109 ILE CB C 384 37.870 37.870 37.835 0.035 17775 10301 1 17 . 1 1 109 109 ILE H H 384 7.950 7.950 7.905 0.045 17775 10302 1 17 . 1 1 110 110 ASP N N 385 119.750 119.750 119.779 -0.029 17775 10303 1 17 . 1 1 110 110 ASP HA H 385 4.440 4.440 4.420 0.020 17775 10304 1 17 . 1 1 110 110 ASP C C 385 177.620 177.620 178.216 -0.596 17775 10305 1 17 . 1 1 110 110 ASP CA C 385 56.500 56.500 57.370 -0.870 17775 10306 1 17 . 1 1 110 110 ASP CB C 385 40.860 40.860 40.554 0.306 17775 10307 1 17 . 1 1 110 110 ASP H H 385 7.840 7.840 7.864 -0.024 17775 10308 1 17 . 1 1 111 111 TYR N N 386 118.370 118.370 118.780 -0.410 17775 10309 1 17 . 1 1 111 111 TYR HA H 386 4.430 4.430 4.260 0.170 17775 10310 1 17 . 1 1 111 111 TYR C C 386 176.320 176.320 176.794 -0.474 17775 10311 1 17 . 1 1 111 111 TYR CA C 386 58.940 58.940 60.965 -2.025 17775 10312 1 17 . 1 1 111 111 TYR CB C 386 38.440 38.440 38.982 -0.542 17775 10313 1 17 . 1 1 111 111 TYR H H 386 7.760 7.760 7.854 -0.094 17775 10314 1 17 . 1 1 112 112 LEU N N 387 119.730 119.730 119.147 0.583 17775 10315 1 17 . 1 1 112 112 LEU HA H 387 4.230 4.230 4.398 -0.168 17775 10316 1 17 . 1 1 112 112 LEU C C 387 175.900 175.900 177.709 -1.809 17775 10317 1 17 . 1 1 112 112 LEU CA C 387 55.090 55.090 56.559 -1.469 17775 10318 1 17 . 1 1 112 112 LEU CB C 387 42.670 42.670 42.925 -0.255 17775 10319 1 17 . 1 1 112 112 LEU H H 387 7.660 7.660 7.794 -0.134 17775 10320 1 18 . 1 1 5 5 ILE HA H 280 4.190 4.190 3.868 0.322 17775 10321 1 18 . 1 1 5 5 ILE CA C 280 61.650 61.650 63.027 -1.377 17775 10322 1 18 . 1 1 5 5 ILE CB C 280 38.520 38.520 36.604 1.916 17775 10323 1 18 . 1 1 6 6 THR HA H 281 4.340 4.340 3.992 0.348 17775 10324 1 18 . 1 1 6 6 THR CA C 281 62.680 62.680 66.447 -3.767 17775 10325 1 18 . 1 1 6 6 THR CB C 281 69.630 69.630 68.404 1.226 17775 10326 1 18 . 1 1 8 8 PRO HA H 283 4.230 4.230 4.584 -0.354 17775 10327 1 18 . 1 1 8 8 PRO CA C 283 65.940 65.940 65.687 0.253 17775 10328 1 18 . 1 1 8 8 PRO CB C 283 30.730 30.730 30.782 -0.052 17775 10329 1 18 . 1 1 9 9 ILE N N 284 115.670 115.670 119.112 -3.442 17775 10330 1 18 . 1 1 9 9 ILE HA H 284 3.420 3.420 3.817 -0.397 17775 10331 1 18 . 1 1 9 9 ILE C C 284 177.820 177.820 178.270 -0.450 17775 10332 1 18 . 1 1 9 9 ILE CA C 284 65.540 65.540 63.800 1.740 17775 10333 1 18 . 1 1 9 9 ILE CB C 284 36.810 36.810 36.888 -0.078 17775 10334 1 18 . 1 1 9 9 ILE H H 284 7.300 7.300 7.116 0.184 17775 10335 1 18 . 1 1 10 10 ILE N N 285 121.880 121.880 120.772 1.108 17775 10336 1 18 . 1 1 10 10 ILE HA H 285 3.800 3.800 3.815 -0.015 17775 10337 1 18 . 1 1 10 10 ILE C C 285 177.690 177.690 179.048 -1.358 17775 10338 1 18 . 1 1 10 10 ILE CA C 285 62.880 62.880 63.209 -0.328 17775 10339 1 18 . 1 1 10 10 ILE CB C 285 36.560 36.560 36.325 0.235 17775 10340 1 18 . 1 1 10 10 ILE H H 285 7.880 7.880 7.998 -0.118 17775 10341 1 18 . 1 1 11 11 GLU N N 286 120.580 120.580 120.342 0.238 17775 10342 1 18 . 1 1 11 11 GLU HA H 286 4.080 4.080 4.065 0.015 17775 10343 1 18 . 1 1 11 11 GLU C C 286 180.980 180.980 179.716 1.264 17775 10344 1 18 . 1 1 11 11 GLU CA C 286 59.630 59.630 59.737 -0.107 17775 10345 1 18 . 1 1 11 11 GLU CB C 286 29.550 29.550 29.633 -0.083 17775 10346 1 18 . 1 1 11 11 GLU H H 286 8.450 8.450 8.072 0.378 17775 10347 1 18 . 1 1 12 12 LEU N N 287 121.340 121.340 119.721 1.619 17775 10348 1 18 . 1 1 12 12 LEU HA H 287 4.010 4.010 4.056 -0.046 17775 10349 1 18 . 1 1 12 12 LEU C C 287 178.030 178.030 178.921 -0.891 17775 10350 1 18 . 1 1 12 12 LEU CA C 287 58.310 58.310 58.090 0.220 17775 10351 1 18 . 1 1 12 12 LEU CB C 287 42.050 42.050 41.947 0.103 17775 10352 1 18 . 1 1 12 12 LEU H H 287 8.490 8.490 7.973 0.517 17775 10353 1 18 . 1 1 13 13 SER N N 288 117.590 117.590 115.144 2.446 17775 10354 1 18 . 1 1 13 13 SER HA H 288 4.190 4.190 4.048 0.142 17775 10355 1 18 . 1 1 13 13 SER C C 288 175.660 175.660 176.778 -1.118 17775 10356 1 18 . 1 1 13 13 SER CA C 288 61.670 61.670 61.726 -0.056 17775 10357 1 18 . 1 1 13 13 SER CB C 288 62.490 62.490 63.013 -0.523 17775 10358 1 18 . 1 1 13 13 SER H H 288 8.330 8.330 8.230 0.100 17775 10359 1 18 . 1 1 14 14 ASN N N 289 119.150 119.150 120.914 -1.764 17775 10360 1 18 . 1 1 14 14 ASN HA H 289 4.450 4.450 4.559 -0.109 17775 10361 1 18 . 1 1 14 14 ASN C C 289 178.480 178.480 177.858 0.622 17775 10362 1 18 . 1 1 14 14 ASN CA C 289 55.870 55.870 56.122 -0.252 17775 10363 1 18 . 1 1 14 14 ASN CB C 289 38.090 38.090 38.313 -0.223 17775 10364 1 18 . 1 1 14 14 ASN H H 289 8.650 8.650 8.233 0.417 17775 10365 1 18 . 1 1 15 15 THR N N 290 117.650 117.650 117.273 0.377 17775 10366 1 18 . 1 1 15 15 THR HA H 290 3.830 3.830 4.035 -0.205 17775 10367 1 18 . 1 1 15 15 THR C C 290 175.030 175.030 175.998 -0.968 17775 10368 1 18 . 1 1 15 15 THR CA C 290 67.790 67.790 66.314 1.476 17775 10369 1 18 . 1 1 15 15 THR CB C 290 68.660 68.660 68.308 0.352 17775 10370 1 18 . 1 1 15 15 THR H H 290 8.040 8.040 8.105 -0.065 17775 10371 1 18 . 1 1 16 16 ALA N N 291 124.470 124.470 124.316 0.154 17775 10372 1 18 . 1 1 16 16 ALA HA H 291 3.850 3.850 3.927 -0.077 17775 10373 1 18 . 1 1 16 16 ALA C C 291 178.470 178.470 179.111 -0.641 17775 10374 1 18 . 1 1 16 16 ALA CA C 291 55.430 55.430 55.201 0.229 17775 10375 1 18 . 1 1 16 16 ALA CB C 291 17.820 17.820 18.154 -0.334 17775 10376 1 18 . 1 1 16 16 ALA H H 291 8.530 8.530 7.947 0.583 17775 10377 1 18 . 1 1 17 17 ASP N N 292 117.560 117.560 119.054 -1.494 17775 10378 1 18 . 1 1 17 17 ASP HA H 292 4.360 4.360 4.342 0.018 17775 10379 1 18 . 1 1 17 17 ASP C C 292 178.420 178.420 178.812 -0.392 17775 10380 1 18 . 1 1 17 17 ASP CA C 292 57.430 57.430 57.675 -0.245 17775 10381 1 18 . 1 1 17 17 ASP CB C 292 40.130 40.130 40.403 -0.273 17775 10382 1 18 . 1 1 17 17 ASP H H 292 8.290 8.290 7.953 0.337 17775 10383 1 18 . 1 1 18 18 LYS N N 293 119.100 119.100 120.156 -1.056 17775 10384 1 18 . 1 1 18 18 LYS HA H 293 4.010 4.010 4.337 -0.327 17775 10385 1 18 . 1 1 18 18 LYS C C 293 180.170 180.170 179.055 1.115 17775 10386 1 18 . 1 1 18 18 LYS CA C 293 59.020 59.020 59.296 -0.276 17775 10387 1 18 . 1 1 18 18 LYS CB C 293 32.270 32.270 32.567 -0.297 17775 10388 1 18 . 1 1 18 18 LYS H H 293 7.690 7.690 7.519 0.171 17775 10389 1 18 . 1 1 19 19 ILE N N 294 122.510 122.510 119.811 2.699 17775 10390 1 18 . 1 1 19 19 ILE HA H 294 3.690 3.690 4.062 -0.372 17775 10391 1 18 . 1 1 19 19 ILE C C 294 178.920 178.920 178.754 0.166 17775 10392 1 18 . 1 1 19 19 ILE CA C 294 64.400 64.400 64.819 -0.419 17775 10393 1 18 . 1 1 19 19 ILE CB C 294 38.320 38.320 37.910 0.410 17775 10394 1 18 . 1 1 19 19 ILE H H 294 8.220 8.220 7.862 0.358 17775 10395 1 18 . 1 1 20 20 ALA N N 295 123.270 123.270 122.119 1.151 17775 10396 1 18 . 1 1 20 20 ALA HA H 295 3.850 3.850 4.076 -0.226 17775 10397 1 18 . 1 1 20 20 ALA C C 295 179.390 179.390 178.904 0.486 17775 10398 1 18 . 1 1 20 20 ALA CA C 295 55.370 55.370 54.812 0.558 17775 10399 1 18 . 1 1 20 20 ALA CB C 295 17.880 17.880 18.385 -0.505 17775 10400 1 18 . 1 1 20 20 ALA H H 295 8.580 8.580 7.887 0.693 17775 10401 1 18 . 1 1 21 21 GLU N N 296 115.530 115.530 116.401 -0.871 17775 10402 1 18 . 1 1 21 21 GLU HA H 296 4.160 4.160 4.206 -0.046 17775 10403 1 18 . 1 1 21 21 GLU C C 296 176.560 176.560 177.602 -1.042 17775 10404 1 18 . 1 1 21 21 GLU CA C 296 56.400 56.400 56.248 0.152 17775 10405 1 18 . 1 1 21 21 GLU CB C 296 29.830 29.830 29.657 0.173 17775 10406 1 18 . 1 1 21 21 GLU H H 296 7.680 7.680 7.782 -0.102 17775 10407 1 18 . 1 1 22 22 GLY N N 297 105.910 105.910 107.970 -2.060 17775 10408 1 18 . 1 1 22 22 GLY C C 297 174.160 174.160 174.438 -0.278 17775 10409 1 18 . 1 1 22 22 GLY CA C 297 45.040 45.040 44.684 0.356 17775 10410 1 18 . 1 1 22 22 GLY H H 297 7.820 7.820 8.006 -0.186 17775 10411 1 18 . 1 1 23 23 ASN N N 298 120.260 120.260 121.511 -1.251 17775 10412 1 18 . 1 1 23 23 ASN HA H 298 4.960 4.960 4.935 0.025 17775 10413 1 18 . 1 1 23 23 ASN C C 298 174.560 174.560 176.104 -1.544 17775 10414 1 18 . 1 1 23 23 ASN CA C 298 51.800 51.800 51.828 -0.028 17775 10415 1 18 . 1 1 23 23 ASN CB C 298 36.750 36.750 37.258 -0.508 17775 10416 1 18 . 1 1 23 23 ASN H H 298 8.070 8.070 8.161 -0.091 17775 10417 1 18 . 1 1 24 24 LEU N N 299 119.750 119.750 122.857 -3.107 17775 10418 1 18 . 1 1 24 24 LEU HA H 299 3.950 3.950 4.033 -0.083 17775 10419 1 18 . 1 1 24 24 LEU C C 299 176.390 176.390 178.254 -1.864 17775 10420 1 18 . 1 1 24 24 LEU CA C 299 56.250 56.250 57.778 -1.528 17775 10421 1 18 . 1 1 24 24 LEU CB C 299 41.260 41.260 41.593 -0.333 17775 10422 1 18 . 1 1 24 24 LEU H H 299 7.850 7.850 7.534 0.316 17775 10423 1 18 . 1 1 25 25 GLU N N 300 114.210 114.210 117.435 -3.225 17775 10424 1 18 . 1 1 25 25 GLU HA H 300 4.230 4.230 4.231 -0.001 17775 10425 1 18 . 1 1 25 25 GLU C C 300 176.050 176.050 176.141 -0.091 17775 10426 1 18 . 1 1 25 25 GLU CA C 300 55.640 55.640 56.346 -0.706 17775 10427 1 18 . 1 1 25 25 GLU CB C 300 29.410 29.410 29.405 0.005 17775 10428 1 18 . 1 1 25 25 GLU H H 300 7.840 7.840 8.499 -0.659 17775 10429 1 18 . 1 1 26 26 ALA N N 301 124.010 124.010 124.323 -0.313 17775 10430 1 18 . 1 1 26 26 ALA HA H 301 3.880 3.880 4.143 -0.263 17775 10431 1 18 . 1 1 26 26 ALA C C 301 175.390 175.390 177.059 -1.669 17775 10432 1 18 . 1 1 26 26 ALA CA C 301 52.890 52.890 52.467 0.423 17775 10433 1 18 . 1 1 26 26 ALA CB C 301 18.570 18.570 18.939 -0.369 17775 10434 1 18 . 1 1 26 26 ALA H H 301 6.770 6.770 7.193 -0.423 17775 10435 1 18 . 1 1 27 27 GLU N N 302 120.120 120.120 124.321 -4.201 17775 10436 1 18 . 1 1 27 27 GLU HA H 302 4.080 4.080 4.234 -0.154 17775 10437 1 18 . 1 1 27 27 GLU C C 302 176.510 176.510 176.609 -0.099 17775 10438 1 18 . 1 1 27 27 GLU CA C 302 55.150 55.150 55.897 -0.747 17775 10439 1 18 . 1 1 27 27 GLU CB C 302 30.160 30.160 30.147 0.013 17775 10440 1 18 . 1 1 27 27 GLU H H 302 7.880 7.880 8.389 -0.509 17775 10441 1 18 . 1 1 28 28 VAL N N 303 129.020 129.020 124.797 4.223 17775 10442 1 18 . 1 1 28 28 VAL HA H 303 4.230 4.230 4.164 0.066 17775 10443 1 18 . 1 1 28 28 VAL CA C 303 60.440 60.440 60.444 -0.004 17775 10444 1 18 . 1 1 28 28 VAL CB C 303 31.760 31.760 31.479 0.281 17775 10445 1 18 . 1 1 28 28 VAL H H 303 8.890 8.890 8.067 0.823 17775 10446 1 18 . 1 1 29 29 PRO HA H 304 4.400 4.400 4.553 -0.153 17775 10447 1 18 . 1 1 29 29 PRO CA C 304 62.790 62.790 62.017 0.773 17775 10448 1 18 . 1 1 29 29 PRO CB C 304 32.120 32.120 32.781 -0.661 17775 10449 1 18 . 1 1 30 30 HIS N N 305 103.640 103.640 113.627 -9.987 17775 10450 1 18 . 1 1 30 30 HIS HA H 305 4.210 4.210 4.210 0.000 17775 10451 1 18 . 1 1 30 30 HIS C C 305 175.590 175.590 176.723 -1.133 17775 10452 1 18 . 1 1 30 30 HIS CA C 305 57.950 57.950 57.428 0.522 17775 10453 1 18 . 1 1 30 30 HIS CB C 305 27.910 27.910 27.199 0.711 17775 10454 1 18 . 1 1 30 30 HIS H H 305 7.780 7.780 8.357 -0.577 17775 10455 1 18 . 1 1 31 31 GLN N N 306 114.840 114.840 117.811 -2.971 17775 10456 1 18 . 1 1 31 31 GLN HA H 306 3.990 3.990 4.096 -0.106 17775 10457 1 18 . 1 1 31 31 GLN C C 306 176.290 176.290 176.367 -0.077 17775 10458 1 18 . 1 1 31 31 GLN CA C 306 58.680 58.680 58.498 0.181 17775 10459 1 18 . 1 1 31 31 GLN CB C 306 30.630 30.630 28.726 1.904 17775 10460 1 18 . 1 1 31 31 GLN H H 306 8.010 8.010 8.441 -0.431 17775 10461 1 18 . 1 1 32 32 ASN N N 307 113.230 113.230 113.991 -0.761 17775 10462 1 18 . 1 1 32 32 ASN HA H 307 4.640 4.640 4.742 -0.102 17775 10463 1 18 . 1 1 32 32 ASN C C 307 175.610 175.610 175.481 0.129 17775 10464 1 18 . 1 1 32 32 ASN CA C 307 52.800 52.800 53.469 -0.669 17775 10465 1 18 . 1 1 32 32 ASN CB C 307 37.630 37.630 38.345 -0.715 17775 10466 1 18 . 1 1 32 32 ASN H H 307 8.360 8.360 8.335 0.025 17775 10467 1 18 . 1 1 33 33 ARG N N 308 119.580 119.580 120.600 -1.020 17775 10468 1 18 . 1 1 33 33 ARG HA H 308 4.140 4.140 4.262 -0.122 17775 10469 1 18 . 1 1 33 33 ARG CA C 308 56.950 56.950 56.491 0.459 17775 10470 1 18 . 1 1 33 33 ARG CB C 308 33.030 33.030 30.944 2.086 17775 10471 1 18 . 1 1 33 33 ARG H H 308 7.160 7.160 7.458 -0.298 17775 10472 1 18 . 1 1 34 34 ALA HA H 309 4.530 4.530 4.270 0.260 17775 10473 1 18 . 1 1 34 34 ALA C C 309 176.610 176.610 177.097 -0.487 17775 10474 1 18 . 1 1 34 34 ALA CA C 309 51.650 51.650 52.714 -1.064 17775 10475 1 18 . 1 1 34 34 ALA CB C 309 18.830 18.830 19.137 -0.307 17775 10476 1 18 . 1 1 35 35 ASP N N 310 117.680 117.680 118.892 -1.212 17775 10477 1 18 . 1 1 35 35 ASP HA H 310 4.660 4.660 4.645 0.015 17775 10478 1 18 . 1 1 35 35 ASP C C 310 176.740 176.740 177.109 -0.369 17775 10479 1 18 . 1 1 35 35 ASP CA C 310 52.240 52.240 52.959 -0.719 17775 10480 1 18 . 1 1 35 35 ASP CB C 310 41.580 41.580 40.650 0.930 17775 10481 1 18 . 1 1 35 35 ASP H H 310 7.460 7.460 7.700 -0.240 17775 10482 1 18 . 1 1 36 36 GLU N N 311 118.110 118.110 117.330 0.780 17775 10483 1 18 . 1 1 36 36 GLU HA H 311 3.870 3.870 4.061 -0.191 17775 10484 1 18 . 1 1 36 36 GLU C C 311 177.440 177.440 178.459 -1.019 17775 10485 1 18 . 1 1 36 36 GLU CA C 311 60.460 60.460 59.813 0.647 17775 10486 1 18 . 1 1 36 36 GLU CB C 311 27.660 27.660 29.385 -1.725 17775 10487 1 18 . 1 1 36 36 GLU H H 311 9.910 9.910 8.643 1.266 17775 10488 1 18 . 1 1 37 37 ILE N N 312 118.790 118.790 119.363 -0.573 17775 10489 1 18 . 1 1 37 37 ILE HA H 312 3.570 3.570 3.864 -0.294 17775 10490 1 18 . 1 1 37 37 ILE C C 312 177.460 177.460 178.152 -0.692 17775 10491 1 18 . 1 1 37 37 ILE CA C 312 63.170 63.170 62.773 0.397 17775 10492 1 18 . 1 1 37 37 ILE CB C 312 35.770 35.770 36.607 -0.837 17775 10493 1 18 . 1 1 37 37 ILE H H 312 7.420 7.420 7.656 -0.236 17775 10494 1 18 . 1 1 38 38 GLY N N 313 108.320 108.320 109.168 -0.848 17775 10495 1 18 . 1 1 38 38 GLY C C 313 176.200 176.200 176.177 0.023 17775 10496 1 18 . 1 1 38 38 GLY CA C 313 47.090 47.090 47.347 -0.257 17775 10497 1 18 . 1 1 38 38 GLY H H 313 7.510 7.510 7.906 -0.396 17775 10498 1 18 . 1 1 39 39 ILE N N 314 121.890 121.890 122.616 -0.726 17775 10499 1 18 . 1 1 39 39 ILE HA H 314 3.630 3.630 3.684 -0.054 17775 10500 1 18 . 1 1 39 39 ILE C C 314 179.070 179.070 177.551 1.519 17775 10501 1 18 . 1 1 39 39 ILE CA C 314 64.750 64.750 65.081 -0.331 17775 10502 1 18 . 1 1 39 39 ILE CB C 314 37.610 37.610 37.977 -0.367 17775 10503 1 18 . 1 1 39 39 ILE H H 314 7.390 7.390 7.661 -0.271 17775 10504 1 18 . 1 1 40 40 LEU N N 315 121.370 121.370 121.463 -0.093 17775 10505 1 18 . 1 1 40 40 LEU HA H 315 4.120 4.120 4.071 0.049 17775 10506 1 18 . 1 1 40 40 LEU C C 315 178.560 178.560 178.281 0.279 17775 10507 1 18 . 1 1 40 40 LEU CA C 315 57.620 57.620 57.860 -0.240 17775 10508 1 18 . 1 1 40 40 LEU CB C 315 41.490 41.490 41.639 -0.149 17775 10509 1 18 . 1 1 40 40 LEU H H 315 7.770 7.770 7.772 -0.002 17775 10510 1 18 . 1 1 41 41 ALA N N 316 123.480 123.480 121.533 1.947 17775 10511 1 18 . 1 1 41 41 ALA HA H 316 3.840 3.840 3.928 -0.088 17775 10512 1 18 . 1 1 41 41 ALA C C 316 179.700 179.700 179.515 0.185 17775 10513 1 18 . 1 1 41 41 ALA CA C 316 56.180 56.180 55.499 0.681 17775 10514 1 18 . 1 1 41 41 ALA CB C 316 19.870 19.870 18.345 1.525 17775 10515 1 18 . 1 1 41 41 ALA H H 316 9.020 9.020 8.031 0.989 17775 10516 1 18 . 1 1 42 42 LYS N N 317 116.890 116.890 118.589 -1.699 17775 10517 1 18 . 1 1 42 42 LYS HA H 317 3.900 3.900 4.025 -0.125 17775 10518 1 18 . 1 1 42 42 LYS C C 317 179.730 179.730 179.220 0.510 17775 10519 1 18 . 1 1 42 42 LYS CA C 317 60.430 60.430 59.402 1.028 17775 10520 1 18 . 1 1 42 42 LYS H H 317 8.320 8.320 8.029 0.291 17775 10521 1 18 . 1 1 43 43 SER N N 318 119.130 119.130 115.609 3.521 17775 10522 1 18 . 1 1 43 43 SER HA H 318 4.340 4.340 4.189 0.151 17775 10523 1 18 . 1 1 43 43 SER C C 318 177.430 177.430 176.778 0.652 17775 10524 1 18 . 1 1 43 43 SER CA C 318 62.630 62.630 61.547 1.083 17775 10525 1 18 . 1 1 43 43 SER CB C 318 63.050 63.050 63.003 0.047 17775 10526 1 18 . 1 1 43 43 SER H H 318 8.060 8.060 8.045 0.015 17775 10527 1 18 . 1 1 44 44 ILE N N 319 124.020 124.020 123.126 0.894 17775 10528 1 18 . 1 1 44 44 ILE HA H 319 3.640 3.640 3.678 -0.038 17775 10529 1 18 . 1 1 44 44 ILE C C 319 177.190 177.190 177.893 -0.703 17775 10530 1 18 . 1 1 44 44 ILE CA C 319 65.020 65.020 65.097 -0.077 17775 10531 1 18 . 1 1 44 44 ILE CB C 319 36.790 36.790 37.669 -0.878 17775 10532 1 18 . 1 1 44 44 ILE H H 319 8.250 8.250 7.696 0.554 17775 10533 1 18 . 1 1 45 45 GLU N N 320 123.090 123.090 120.658 2.432 17775 10534 1 18 . 1 1 45 45 GLU HA H 320 4.600 4.600 3.952 0.648 17775 10535 1 18 . 1 1 45 45 GLU C C 320 178.190 178.190 178.669 -0.479 17775 10536 1 18 . 1 1 45 45 GLU CA C 320 58.430 58.430 59.502 -1.072 17775 10537 1 18 . 1 1 45 45 GLU CB C 320 27.700 27.700 29.219 -1.519 17775 10538 1 18 . 1 1 45 45 GLU H H 320 8.390 8.390 8.012 0.378 17775 10539 1 18 . 1 1 46 46 ARG N N 321 119.760 119.760 119.246 0.514 17775 10540 1 18 . 1 1 46 46 ARG HA H 321 3.930 3.930 4.048 -0.118 17775 10541 1 18 . 1 1 46 46 ARG C C 321 179.950 179.950 179.071 0.879 17775 10542 1 18 . 1 1 46 46 ARG CA C 321 60.440 60.440 59.360 1.080 17775 10543 1 18 . 1 1 46 46 ARG CB C 321 29.770 29.770 30.137 -0.367 17775 10544 1 18 . 1 1 46 46 ARG H H 321 8.000 8.000 7.770 0.230 17775 10545 1 18 . 1 1 47 47 LEU N N 322 121.360 121.360 119.663 1.697 17775 10546 1 18 . 1 1 47 47 LEU HA H 322 4.020 4.020 3.969 0.051 17775 10547 1 18 . 1 1 47 47 LEU C C 322 178.040 178.040 178.746 -0.706 17775 10548 1 18 . 1 1 47 47 LEU CA C 322 58.550 58.550 57.785 0.765 17775 10549 1 18 . 1 1 47 47 LEU CB C 322 41.650 41.650 41.433 0.217 17775 10550 1 18 . 1 1 47 47 LEU H H 322 7.870 7.870 7.923 -0.053 17775 10551 1 18 . 1 1 48 48 ARG N N 323 121.390 121.390 119.585 1.805 17775 10552 1 18 . 1 1 48 48 ARG HA H 323 3.690 3.690 3.920 -0.230 17775 10553 1 18 . 1 1 48 48 ARG C C 323 178.120 178.120 178.395 -0.275 17775 10554 1 18 . 1 1 48 48 ARG CA C 323 60.630 60.630 59.772 0.858 17775 10555 1 18 . 1 1 48 48 ARG CB C 323 30.230 30.230 30.031 0.199 17775 10556 1 18 . 1 1 48 48 ARG H H 323 8.730 8.730 8.005 0.725 17775 10557 1 18 . 1 1 49 49 ARG N N 324 116.720 116.720 118.790 -2.070 17775 10558 1 18 . 1 1 49 49 ARG HA H 324 3.840 3.840 4.074 -0.234 17775 10559 1 18 . 1 1 49 49 ARG C C 324 179.060 179.060 178.541 0.519 17775 10560 1 18 . 1 1 49 49 ARG CA C 324 59.930 59.930 59.072 0.858 17775 10561 1 18 . 1 1 49 49 ARG CB C 324 29.830 29.830 29.829 0.001 17775 10562 1 18 . 1 1 49 49 ARG H H 324 8.550 8.550 8.100 0.450 17775 10563 1 18 . 1 1 50 50 SER N N 325 117.600 117.600 116.394 1.206 17775 10564 1 18 . 1 1 50 50 SER HA H 325 4.120 4.120 4.167 -0.047 17775 10565 1 18 . 1 1 50 50 SER C C 325 176.050 176.050 176.611 -0.561 17775 10566 1 18 . 1 1 50 50 SER CA C 325 62.630 62.630 62.822 -0.192 17775 10567 1 18 . 1 1 50 50 SER CB C 325 62.950 62.950 63.028 -0.077 17775 10568 1 18 . 1 1 50 50 SER H H 325 8.170 8.170 7.689 0.481 17775 10569 1 18 . 1 1 51 51 LEU N N 326 123.730 123.730 122.082 1.648 17775 10570 1 18 . 1 1 51 51 LEU HA H 326 3.990 3.990 3.939 0.051 17775 10571 1 18 . 1 1 51 51 LEU C C 326 177.380 177.380 178.341 -0.961 17775 10572 1 18 . 1 1 51 51 LEU CA C 326 58.580 58.580 58.149 0.431 17775 10573 1 18 . 1 1 51 51 LEU CB C 326 42.190 42.190 41.742 0.448 17775 10574 1 18 . 1 1 51 51 LEU H H 326 8.190 8.190 7.808 0.382 17775 10575 1 18 . 1 1 52 52 LYS N N 327 119.170 119.170 119.119 0.051 17775 10576 1 18 . 1 1 52 52 LYS HA H 327 3.860 3.860 3.850 0.010 17775 10577 1 18 . 1 1 52 52 LYS C C 327 179.050 179.050 178.824 0.226 17775 10578 1 18 . 1 1 52 52 LYS CA C 327 59.700 59.700 59.757 -0.057 17775 10579 1 18 . 1 1 52 52 LYS CB C 327 32.020 32.020 32.263 -0.243 17775 10580 1 18 . 1 1 52 52 LYS H H 327 8.580 8.580 8.095 0.485 17775 10581 1 18 . 1 1 53 53 GLN N N 328 118.180 118.180 119.270 -1.090 17775 10582 1 18 . 1 1 53 53 GLN HA H 328 4.080 4.080 4.069 0.011 17775 10583 1 18 . 1 1 53 53 GLN C C 328 177.960 177.960 178.438 -0.478 17775 10584 1 18 . 1 1 53 53 GLN CA C 328 58.690 58.690 59.080 -0.390 17775 10585 1 18 . 1 1 53 53 GLN CB C 328 28.450 28.450 28.747 -0.297 17775 10586 1 18 . 1 1 53 53 GLN H H 328 8.080 8.080 7.976 0.104 17775 10587 1 18 . 1 1 54 54 LEU N N 329 118.740 118.740 119.464 -0.724 17775 10588 1 18 . 1 1 54 54 LEU HA H 329 4.150 4.150 4.043 0.107 17775 10589 1 18 . 1 1 54 54 LEU C C 329 179.580 179.580 179.032 0.548 17775 10590 1 18 . 1 1 54 54 LEU CA C 329 58.080 58.080 57.740 0.340 17775 10591 1 18 . 1 1 54 54 LEU CB C 329 42.620 42.620 41.715 0.905 17775 10592 1 18 . 1 1 54 54 LEU H H 329 7.680 7.680 7.990 -0.310 17775 10593 1 18 . 1 1 55 55 ALA N N 330 123.330 123.330 122.177 1.153 17775 10594 1 18 . 1 1 55 55 ALA HA H 330 4.050 4.050 3.913 0.137 17775 10595 1 18 . 1 1 55 55 ALA C C 330 180.530 180.530 179.463 1.067 17775 10596 1 18 . 1 1 55 55 ALA CA C 330 55.630 55.630 55.413 0.217 17775 10597 1 18 . 1 1 55 55 ALA CB C 330 18.320 18.320 18.005 0.315 17775 10598 1 18 . 1 1 55 55 ALA H H 330 8.390 8.390 7.885 0.505 17775 10599 1 18 . 1 1 56 56 ASP N N 331 121.350 121.350 118.975 2.375 17775 10600 1 18 . 1 1 56 56 ASP HA H 331 4.420 4.420 4.349 0.071 17775 10601 1 18 . 1 1 56 56 ASP C C 331 179.100 179.100 178.427 0.673 17775 10602 1 18 . 1 1 56 56 ASP CA C 331 57.430 57.430 57.580 -0.150 17775 10603 1 18 . 1 1 56 56 ASP CB C 331 39.630 39.630 40.277 -0.647 17775 10604 1 18 . 1 1 56 56 ASP H H 331 8.820 8.820 7.961 0.859 17775 10605 1 18 . 1 1 57 57 ASP N N 332 121.570 121.570 119.796 1.774 17775 10606 1 18 . 1 1 57 57 ASP HA H 332 4.490 4.490 4.348 0.142 17775 10607 1 18 . 1 1 57 57 ASP C C 332 179.080 179.080 178.538 0.542 17775 10608 1 18 . 1 1 57 57 ASP CA C 332 57.380 57.380 57.293 0.087 17775 10609 1 18 . 1 1 57 57 ASP CB C 332 40.440 40.440 40.620 -0.180 17775 10610 1 18 . 1 1 57 57 ASP H H 332 8.420 8.420 8.045 0.375 17775 10611 1 18 . 1 1 58 58 ARG N N 333 120.250 120.250 120.297 -0.047 17775 10612 1 18 . 1 1 58 58 ARG HA H 333 3.940 3.940 3.972 -0.032 17775 10613 1 18 . 1 1 58 58 ARG C C 333 177.770 177.770 178.478 -0.708 17775 10614 1 18 . 1 1 58 58 ARG CA C 333 58.790 58.790 59.711 -0.921 17775 10615 1 18 . 1 1 58 58 ARG CB C 333 30.300 30.300 30.360 -0.060 17775 10616 1 18 . 1 1 58 58 ARG H H 333 7.900 7.900 7.774 0.126 17775 10617 1 18 . 1 1 59 59 THR N N 334 115.160 115.160 116.125 -0.965 17775 10618 1 18 . 1 1 59 59 THR HA H 334 3.960 3.960 4.054 -0.094 17775 10619 1 18 . 1 1 59 59 THR C C 334 176.690 176.690 176.732 -0.042 17775 10620 1 18 . 1 1 59 59 THR CA C 334 66.430 66.430 67.317 -0.887 17775 10621 1 18 . 1 1 59 59 THR CB C 334 68.720 68.720 68.439 0.281 17775 10622 1 18 . 1 1 59 59 THR H H 334 7.940 7.940 7.669 0.271 17775 10623 1 18 . 1 1 60 60 LEU N N 335 123.040 123.040 121.353 1.687 17775 10624 1 18 . 1 1 60 60 LEU HA H 335 4.070 4.070 3.959 0.111 17775 10625 1 18 . 1 1 60 60 LEU C C 335 180.040 180.040 178.656 1.384 17775 10626 1 18 . 1 1 60 60 LEU CA C 335 57.690 57.690 57.908 -0.218 17775 10627 1 18 . 1 1 60 60 LEU CB C 335 41.810 41.810 41.594 0.216 17775 10628 1 18 . 1 1 60 60 LEU H H 335 7.860 7.860 7.754 0.106 17775 10629 1 18 . 1 1 61 61 LEU N N 336 121.600 121.600 120.347 1.253 17775 10630 1 18 . 1 1 61 61 LEU HA H 336 4.020 4.020 3.885 0.135 17775 10631 1 18 . 1 1 61 61 LEU C C 336 179.360 179.360 178.456 0.904 17775 10632 1 18 . 1 1 61 61 LEU CA C 336 57.900 57.900 58.297 -0.397 17775 10633 1 18 . 1 1 61 61 LEU CB C 336 41.970 41.970 41.886 0.083 17775 10634 1 18 . 1 1 61 61 LEU H H 336 8.180 8.180 7.986 0.194 17775 10635 1 18 . 1 1 62 62 MET N N 337 116.900 116.900 118.359 -1.459 17775 10636 1 18 . 1 1 62 62 MET HA H 337 4.110 4.110 3.894 0.216 17775 10637 1 18 . 1 1 62 62 MET C C 337 179.750 179.750 177.943 1.807 17775 10638 1 18 . 1 1 62 62 MET CA C 337 57.850 57.850 59.113 -1.263 17775 10639 1 18 . 1 1 62 62 MET CB C 337 32.200 32.200 32.458 -0.258 17775 10640 1 18 . 1 1 62 62 MET H H 337 8.160 8.160 7.597 0.563 17775 10641 1 18 . 1 1 63 63 ALA N N 338 122.990 122.990 121.142 1.848 17775 10642 1 18 . 1 1 63 63 ALA HA H 338 4.110 4.110 4.063 0.047 17775 10643 1 18 . 1 1 63 63 ALA C C 338 180.420 180.420 179.616 0.804 17775 10644 1 18 . 1 1 63 63 ALA CA C 338 55.270 55.270 55.147 0.124 17775 10645 1 18 . 1 1 63 63 ALA CB C 338 17.960 17.960 18.213 -0.253 17775 10646 1 18 . 1 1 63 63 ALA H H 338 8.090 8.090 7.689 0.401 17775 10647 1 18 . 1 1 64 64 GLY N N 339 106.980 106.980 106.727 0.253 17775 10648 1 18 . 1 1 64 64 GLY C C 339 175.240 175.240 176.214 -0.974 17775 10649 1 18 . 1 1 64 64 GLY CA C 339 47.190 47.190 47.070 0.120 17775 10650 1 18 . 1 1 64 64 GLY H H 339 8.070 8.070 7.915 0.155 17775 10651 1 18 . 1 1 65 65 VAL N N 340 120.660 120.660 122.435 -1.775 17775 10652 1 18 . 1 1 65 65 VAL HA H 340 3.780 3.780 3.542 0.238 17775 10653 1 18 . 1 1 65 65 VAL C C 340 176.960 176.960 177.945 -0.985 17775 10654 1 18 . 1 1 65 65 VAL CA C 340 65.620 65.620 66.272 -0.652 17775 10655 1 18 . 1 1 65 65 VAL CB C 340 31.690 31.690 31.614 0.076 17775 10656 1 18 . 1 1 65 65 VAL H H 340 8.100 8.100 7.825 0.275 17775 10657 1 18 . 1 1 66 66 SER N N 341 112.150 112.150 114.675 -2.525 17775 10658 1 18 . 1 1 66 66 SER HA H 341 4.000 4.000 3.992 0.008 17775 10659 1 18 . 1 1 66 66 SER C C 341 175.860 175.860 176.555 -0.695 17775 10660 1 18 . 1 1 66 66 SER CA C 341 61.240 61.240 61.762 -0.522 17775 10661 1 18 . 1 1 66 66 SER CB C 341 63.260 63.260 62.917 0.343 17775 10662 1 18 . 1 1 66 66 SER H H 341 7.810 7.810 7.877 -0.067 17775 10663 1 18 . 1 1 67 67 HIS N N 342 118.910 118.910 121.667 -2.757 17775 10664 1 18 . 1 1 67 67 HIS HA H 342 4.440 4.440 4.222 0.218 17775 10665 1 18 . 1 1 67 67 HIS C C 342 177.780 177.780 177.796 -0.016 17775 10666 1 18 . 1 1 67 67 HIS CA C 342 59.160 59.160 59.812 -0.652 17775 10667 1 18 . 1 1 67 67 HIS CB C 342 30.400 30.400 30.104 0.296 17775 10668 1 18 . 1 1 67 67 HIS H H 342 7.830 7.830 7.807 0.023 17775 10669 1 18 . 1 1 68 68 ASP N N 343 120.590 120.590 119.887 0.703 17775 10670 1 18 . 1 1 68 68 ASP HA H 343 4.440 4.440 4.400 0.040 17775 10671 1 18 . 1 1 68 68 ASP C C 343 178.470 178.470 178.962 -0.492 17775 10672 1 18 . 1 1 68 68 ASP CA C 343 57.500 57.500 57.210 0.290 17775 10673 1 18 . 1 1 68 68 ASP CB C 343 39.880 39.880 40.418 -0.538 17775 10674 1 18 . 1 1 68 68 ASP H H 343 8.580 8.580 8.034 0.546 17775 10675 1 18 . 1 1 69 69 LEU N N 344 117.900 117.900 119.821 -1.921 17775 10676 1 18 . 1 1 69 69 LEU HA H 344 4.190 4.190 3.989 0.201 17775 10677 1 18 . 1 1 69 69 LEU C C 344 177.010 177.010 178.369 -1.359 17775 10678 1 18 . 1 1 69 69 LEU CA C 344 56.810 56.810 57.281 -0.471 17775 10679 1 18 . 1 1 69 69 LEU CB C 344 43.300 43.300 41.450 1.850 17775 10680 1 18 . 1 1 69 69 LEU H H 344 8.300 8.300 7.903 0.397 17775 10681 1 18 . 1 1 70 70 ARG N N 345 114.380 114.380 118.692 -4.312 17775 10682 1 18 . 1 1 70 70 ARG HA H 345 3.930 3.930 3.927 0.003 17775 10683 1 18 . 1 1 70 70 ARG C C 345 178.840 178.840 178.240 0.600 17775 10684 1 18 . 1 1 70 70 ARG CA C 345 59.420 59.420 59.510 -0.090 17775 10685 1 18 . 1 1 70 70 ARG CB C 345 30.210 30.210 29.882 0.328 17775 10686 1 18 . 1 1 70 70 ARG H H 345 7.280 7.280 7.707 -0.427 17775 10687 1 18 . 1 1 71 71 THR N N 346 115.370 115.370 115.188 0.182 17775 10688 1 18 . 1 1 71 71 THR HA H 346 4.060 4.060 4.206 -0.146 17775 10689 1 18 . 1 1 71 71 THR CA C 346 68.800 68.800 67.951 0.849 17775 10690 1 18 . 1 1 71 71 THR CB C 346 66.590 66.590 66.346 0.244 17775 10691 1 18 . 1 1 71 71 THR H H 346 7.540 7.540 7.615 -0.075 17775 10692 1 18 . 1 1 72 72 PRO HA H 347 4.090 4.090 4.278 -0.188 17775 10693 1 18 . 1 1 72 72 PRO CA C 347 65.860 65.860 65.684 0.176 17775 10694 1 18 . 1 1 72 72 PRO CB C 347 31.380 31.380 31.267 0.113 17775 10695 1 18 . 1 1 73 73 LEU N N 348 114.830 114.830 119.225 -4.395 17775 10696 1 18 . 1 1 73 73 LEU HA H 348 3.950 3.950 3.920 0.030 17775 10697 1 18 . 1 1 73 73 LEU C C 348 179.120 179.120 178.935 0.185 17775 10698 1 18 . 1 1 73 73 LEU CA C 348 58.450 58.450 58.339 0.111 17775 10699 1 18 . 1 1 73 73 LEU CB C 348 41.320 41.320 41.527 -0.207 17775 10700 1 18 . 1 1 73 73 LEU H H 348 6.970 6.970 7.619 -0.649 17775 10701 1 18 . 1 1 74 74 THR N N 349 116.230 116.230 114.846 1.384 17775 10702 1 18 . 1 1 74 74 THR HA H 349 3.880 3.880 3.942 -0.062 17775 10703 1 18 . 1 1 74 74 THR C C 349 176.100 176.100 176.747 -0.647 17775 10704 1 18 . 1 1 74 74 THR CA C 349 66.760 66.760 66.556 0.204 17775 10705 1 18 . 1 1 74 74 THR CB C 349 68.770 68.770 68.160 0.610 17775 10706 1 18 . 1 1 74 74 THR H H 349 8.090 8.090 7.971 0.119 17775 10707 1 18 . 1 1 75 75 ARG N N 350 121.190 121.190 121.599 -0.409 17775 10708 1 18 . 1 1 75 75 ARG HA H 350 3.970 3.970 4.021 -0.051 17775 10709 1 18 . 1 1 75 75 ARG C C 350 180.130 180.130 178.647 1.483 17775 10710 1 18 . 1 1 75 75 ARG CA C 350 61.030 61.030 59.724 1.306 17775 10711 1 18 . 1 1 75 75 ARG CB C 350 31.080 31.080 29.980 1.100 17775 10712 1 18 . 1 1 75 75 ARG H H 350 7.570 7.570 7.541 0.029 17775 10713 1 18 . 1 1 76 76 ILE N N 351 122.150 122.150 119.833 2.317 17775 10714 1 18 . 1 1 76 76 ILE HA H 351 3.700 3.700 3.650 0.050 17775 10715 1 18 . 1 1 76 76 ILE C C 351 177.070 177.070 177.788 -0.718 17775 10716 1 18 . 1 1 76 76 ILE CA C 351 65.560 65.560 65.180 0.380 17775 10717 1 18 . 1 1 76 76 ILE CB C 351 37.650 37.650 37.477 0.173 17775 10718 1 18 . 1 1 76 76 ILE H H 351 8.060 8.060 7.917 0.143 17775 10719 1 18 . 1 1 77 77 ARG N N 352 120.120 120.120 120.654 -0.534 17775 10720 1 18 . 1 1 77 77 ARG HA H 352 3.930 3.930 4.037 -0.107 17775 10721 1 18 . 1 1 77 77 ARG C C 352 179.580 179.580 178.966 0.614 17775 10722 1 18 . 1 1 77 77 ARG CA C 352 59.340 59.340 59.600 -0.260 17775 10723 1 18 . 1 1 77 77 ARG CB C 352 29.690 29.690 30.307 -0.617 17775 10724 1 18 . 1 1 77 77 ARG H H 352 7.700 7.700 7.695 0.005 17775 10725 1 18 . 1 1 78 78 LEU N N 353 119.970 119.970 118.796 1.174 17775 10726 1 18 . 1 1 78 78 LEU HA H 353 4.000 4.000 4.338 -0.338 17775 10727 1 18 . 1 1 78 78 LEU C C 353 179.600 179.600 179.097 0.503 17775 10728 1 18 . 1 1 78 78 LEU CA C 353 57.910 57.910 57.581 0.329 17775 10729 1 18 . 1 1 78 78 LEU CB C 353 41.430 41.430 42.001 -0.570 17775 10730 1 18 . 1 1 78 78 LEU H H 353 8.260 8.260 7.913 0.347 17775 10731 1 18 . 1 1 79 79 ALA N N 354 122.390 122.390 120.944 1.446 17775 10732 1 18 . 1 1 79 79 ALA HA H 354 4.070 4.070 4.071 -0.001 17775 10733 1 18 . 1 1 79 79 ALA C C 354 180.620 180.620 179.888 0.732 17775 10734 1 18 . 1 1 79 79 ALA CA C 354 55.270 55.270 54.880 0.390 17775 10735 1 18 . 1 1 79 79 ALA CB C 354 18.030 18.030 18.516 -0.486 17775 10736 1 18 . 1 1 79 79 ALA H H 354 7.850 7.850 8.040 -0.190 17775 10737 1 18 . 1 1 80 80 THR N N 355 107.540 107.540 111.354 -3.814 17775 10738 1 18 . 1 1 80 80 THR HA H 355 3.990 3.990 4.027 -0.037 17775 10739 1 18 . 1 1 80 80 THR C C 355 177.250 177.250 176.099 1.151 17775 10740 1 18 . 1 1 80 80 THR CA C 355 64.970 64.970 65.174 -0.204 17775 10741 1 18 . 1 1 80 80 THR CB C 355 69.020 69.020 68.373 0.647 17775 10742 1 18 . 1 1 80 80 THR H H 355 7.930 7.930 7.948 -0.018 17775 10743 1 18 . 1 1 81 81 GLU N N 356 120.380 120.380 118.815 1.565 17775 10744 1 18 . 1 1 81 81 GLU HA H 356 4.090 4.090 4.196 -0.106 17775 10745 1 18 . 1 1 81 81 GLU C C 356 177.280 177.280 177.508 -0.228 17775 10746 1 18 . 1 1 81 81 GLU CA C 356 58.020 58.020 57.796 0.224 17775 10747 1 18 . 1 1 81 81 GLU CB C 356 29.490 29.490 29.604 -0.114 17775 10748 1 18 . 1 1 81 81 GLU H H 356 7.380 7.380 7.519 -0.139 17775 10749 1 18 . 1 1 82 82 MET N N 357 115.510 115.510 116.913 -1.403 17775 10750 1 18 . 1 1 82 82 MET HA H 357 4.480 4.480 4.311 0.169 17775 10751 1 18 . 1 1 82 82 MET C C 357 176.140 176.140 176.394 -0.254 17775 10752 1 18 . 1 1 82 82 MET CA C 357 54.810 54.810 56.112 -1.302 17775 10753 1 18 . 1 1 82 82 MET CB C 357 32.660 32.660 33.534 -0.874 17775 10754 1 18 . 1 1 82 82 MET H H 357 7.480 7.480 7.383 0.097 17775 10755 1 18 . 1 1 83 83 MET N N 358 119.530 119.530 118.408 1.122 17775 10756 1 18 . 1 1 83 83 MET HA H 358 4.020 4.020 4.290 -0.270 17775 10757 1 18 . 1 1 83 83 MET C C 358 175.670 175.670 176.413 -0.743 17775 10758 1 18 . 1 1 83 83 MET CA C 358 57.430 57.430 55.748 1.681 17775 10759 1 18 . 1 1 83 83 MET CB C 358 33.860 33.860 33.068 0.792 17775 10760 1 18 . 1 1 83 83 MET H H 358 7.010 7.010 7.531 -0.521 17775 10761 1 18 . 1 1 84 84 SER N N 359 119.110 119.110 118.081 1.029 17775 10762 1 18 . 1 1 84 84 SER HA H 359 4.300 4.300 4.629 -0.329 17775 10763 1 18 . 1 1 84 84 SER C C 359 176.160 176.160 175.226 0.934 17775 10764 1 18 . 1 1 84 84 SER CA C 359 59.170 59.170 57.524 1.646 17775 10765 1 18 . 1 1 84 84 SER CB C 359 64.540 64.540 64.769 -0.229 17775 10766 1 18 . 1 1 84 84 SER H H 359 9.630 9.630 8.291 1.339 17775 10767 1 18 . 1 1 85 85 GLU N N 360 124.090 124.090 121.466 2.624 17775 10768 1 18 . 1 1 85 85 GLU CA C 360 58.880 58.880 59.024 -0.144 17775 10769 1 18 . 1 1 85 85 GLU CB C 360 29.560 29.560 29.375 0.185 17775 10770 1 18 . 1 1 85 85 GLU H H 360 8.810 8.810 9.036 -0.226 17775 10771 1 18 . 1 1 86 86 GLN HA H 361 4.220 4.220 4.180 0.040 17775 10772 1 18 . 1 1 86 86 GLN C C 361 176.370 176.370 177.012 -0.642 17775 10773 1 18 . 1 1 86 86 GLN CA C 361 58.440 58.440 57.973 0.467 17775 10774 1 18 . 1 1 86 86 GLN CB C 361 28.290 28.290 28.732 -0.442 17775 10775 1 18 . 1 1 87 87 ASP N N 362 118.700 118.700 117.973 0.727 17775 10776 1 18 . 1 1 87 87 ASP HA H 362 5.070 5.070 4.612 0.458 17775 10777 1 18 . 1 1 87 87 ASP C C 362 176.740 176.740 176.310 0.430 17775 10778 1 18 . 1 1 87 87 ASP CA C 362 53.710 53.710 53.037 0.673 17775 10779 1 18 . 1 1 87 87 ASP CB C 362 40.980 40.980 40.791 0.189 17775 10780 1 18 . 1 1 87 87 ASP H H 362 7.640 7.640 7.560 0.080 17775 10781 1 18 . 1 1 88 88 GLY N N 363 110.410 110.410 109.081 1.329 17775 10782 1 18 . 1 1 88 88 GLY CA C 363 47.890 47.890 47.369 0.521 17775 10783 1 18 . 1 1 88 88 GLY H H 363 7.940 7.940 7.968 -0.028 17775 10784 1 18 . 1 1 89 89 TYR HA H 364 4.430 4.430 4.190 0.240 17775 10785 1 18 . 1 1 89 89 TYR C C 364 177.600 177.600 177.583 0.017 17775 10786 1 18 . 1 1 89 89 TYR CA C 364 59.970 59.970 59.666 0.304 17775 10787 1 18 . 1 1 89 89 TYR CB C 364 37.100 37.100 37.358 -0.258 17775 10788 1 18 . 1 1 89 89 TYR H H 364 8.470 8.470 8.119 0.351 17775 10789 1 18 . 1 1 90 90 LEU N N 365 124.000 124.000 119.754 4.246 17775 10790 1 18 . 1 1 90 90 LEU HA H 365 3.920 3.920 3.950 -0.030 17775 10791 1 18 . 1 1 90 90 LEU C C 365 178.180 178.180 178.577 -0.397 17775 10792 1 18 . 1 1 90 90 LEU CA C 365 57.050 57.050 56.613 0.437 17775 10793 1 18 . 1 1 90 90 LEU CB C 365 41.930 41.930 41.265 0.665 17775 10794 1 18 . 1 1 90 90 LEU H H 365 7.080 7.080 6.815 0.265 17775 10795 1 18 . 1 1 91 91 ALA N N 366 123.150 123.150 122.109 1.041 17775 10796 1 18 . 1 1 91 91 ALA HA H 366 3.790 3.790 3.959 -0.169 17775 10797 1 18 . 1 1 91 91 ALA C C 366 179.610 179.610 179.558 0.052 17775 10798 1 18 . 1 1 91 91 ALA CA C 366 55.910 55.910 54.759 1.151 17775 10799 1 18 . 1 1 91 91 ALA CB C 366 18.450 18.450 18.244 0.206 17775 10800 1 18 . 1 1 91 91 ALA H H 366 7.880 7.880 7.442 0.438 17775 10801 1 18 . 1 1 92 92 GLU N N 367 116.750 116.750 118.137 -1.387 17775 10802 1 18 . 1 1 92 92 GLU HA H 367 4.010 4.010 4.011 -0.001 17775 10803 1 18 . 1 1 92 92 GLU C C 367 177.910 177.910 178.988 -1.078 17775 10804 1 18 . 1 1 92 92 GLU CA C 367 59.420 59.420 59.295 0.125 17775 10805 1 18 . 1 1 92 92 GLU CB C 367 29.620 29.620 29.479 0.141 17775 10806 1 18 . 1 1 92 92 GLU H H 367 8.100 8.100 8.202 -0.102 17775 10807 1 18 . 1 1 93 93 SER N N 368 115.480 115.480 115.220 0.260 17775 10808 1 18 . 1 1 93 93 SER HA H 368 4.060 4.060 4.207 -0.147 17775 10809 1 18 . 1 1 93 93 SER C C 368 176.360 176.360 176.444 -0.084 17775 10810 1 18 . 1 1 93 93 SER CA C 368 61.610 61.610 61.504 0.106 17775 10811 1 18 . 1 1 93 93 SER CB C 368 63.080 63.080 62.868 0.212 17775 10812 1 18 . 1 1 93 93 SER H H 368 7.520 7.520 7.444 0.076 17775 10813 1 18 . 1 1 94 94 ILE N N 369 121.710 121.710 121.867 -0.157 17775 10814 1 18 . 1 1 94 94 ILE HA H 369 4.000 4.000 3.943 0.057 17775 10815 1 18 . 1 1 94 94 ILE C C 369 178.000 178.000 178.032 -0.032 17775 10816 1 18 . 1 1 94 94 ILE CA C 369 65.470 65.470 64.957 0.513 17775 10817 1 18 . 1 1 94 94 ILE CB C 369 38.030 38.030 37.670 0.359 17775 10818 1 18 . 1 1 94 94 ILE H H 369 8.400 8.400 7.411 0.989 17775 10819 1 18 . 1 1 95 95 ASN N N 370 117.810 117.810 118.673 -0.863 17775 10820 1 18 . 1 1 95 95 ASN HA H 370 4.290 4.290 4.350 -0.060 17775 10821 1 18 . 1 1 95 95 ASN C C 370 179.730 179.730 177.228 2.502 17775 10822 1 18 . 1 1 95 95 ASN CA C 370 57.340 57.340 57.045 0.295 17775 10823 1 18 . 1 1 95 95 ASN CB C 370 38.280 38.280 38.312 -0.032 17775 10824 1 18 . 1 1 95 95 ASN H H 370 8.270 8.270 8.203 0.067 17775 10825 1 18 . 1 1 96 96 LYS N N 371 121.220 121.220 120.674 0.546 17775 10826 1 18 . 1 1 96 96 LYS HA H 371 4.090 4.090 4.000 0.090 17775 10827 1 18 . 1 1 96 96 LYS C C 371 179.250 179.250 178.237 1.013 17775 10828 1 18 . 1 1 96 96 LYS CA C 371 59.650 59.650 59.350 0.300 17775 10829 1 18 . 1 1 96 96 LYS CB C 371 31.730 31.730 32.370 -0.640 17775 10830 1 18 . 1 1 96 96 LYS H H 371 7.960 7.960 7.903 0.057 17775 10831 1 18 . 1 1 97 97 ASP N N 372 122.870 122.870 120.058 2.812 17775 10832 1 18 . 1 1 97 97 ASP HA H 372 4.060 4.060 4.388 -0.328 17775 10833 1 18 . 1 1 97 97 ASP C C 372 179.300 179.300 178.826 0.474 17775 10834 1 18 . 1 1 97 97 ASP CA C 372 58.400 58.400 57.462 0.938 17775 10835 1 18 . 1 1 97 97 ASP CB C 372 41.130 41.130 40.440 0.690 17775 10836 1 18 . 1 1 97 97 ASP H H 372 7.920 7.920 7.723 0.197 17775 10837 1 18 . 1 1 98 98 ILE N N 373 123.090 123.090 120.386 2.704 17775 10838 1 18 . 1 1 98 98 ILE HA H 373 3.620 3.620 3.606 0.014 17775 10839 1 18 . 1 1 98 98 ILE C C 373 178.330 178.330 177.924 0.406 17775 10840 1 18 . 1 1 98 98 ILE CA C 373 65.080 65.080 65.472 -0.391 17775 10841 1 18 . 1 1 98 98 ILE CB C 373 37.260 37.260 37.848 -0.588 17775 10842 1 18 . 1 1 98 98 ILE H H 373 8.720 8.720 7.757 0.963 17775 10843 1 18 . 1 1 99 99 GLU N N 374 120.550 120.550 120.349 0.201 17775 10844 1 18 . 1 1 99 99 GLU HA H 374 4.120 4.120 4.095 0.025 17775 10845 1 18 . 1 1 99 99 GLU C C 374 179.740 179.740 179.464 0.276 17775 10846 1 18 . 1 1 99 99 GLU CA C 374 59.570 59.570 59.640 -0.070 17775 10847 1 18 . 1 1 99 99 GLU CB C 374 28.910 28.910 29.425 -0.516 17775 10848 1 18 . 1 1 99 99 GLU H H 374 8.100 8.100 7.999 0.101 17775 10849 1 18 . 1 1 100 100 GLU N N 375 122.040 122.040 119.892 2.148 17775 10850 1 18 . 1 1 100 100 GLU HA H 375 4.140 4.140 4.065 0.075 17775 10851 1 18 . 1 1 100 100 GLU C C 375 178.810 178.810 179.054 -0.244 17775 10852 1 18 . 1 1 100 100 GLU CA C 375 59.830 59.830 59.271 0.559 17775 10853 1 18 . 1 1 100 100 GLU CB C 375 29.220 29.220 29.543 -0.323 17775 10854 1 18 . 1 1 100 100 GLU H H 375 8.060 8.060 7.974 0.086 17775 10855 1 18 . 1 1 101 101 CYS N N 376 117.330 117.330 118.411 -1.081 17775 10856 1 18 . 1 1 101 101 CYS HA H 376 3.960 3.960 4.020 -0.060 17775 10857 1 18 . 1 1 101 101 CYS C C 376 176.540 176.540 176.854 -0.314 17775 10858 1 18 . 1 1 101 101 CYS CA C 376 64.510 64.510 64.443 0.067 17775 10859 1 18 . 1 1 101 101 CYS CB C 376 27.270 27.270 27.379 -0.109 17775 10860 1 18 . 1 1 101 101 CYS H H 376 8.130 8.130 8.039 0.091 17775 10861 1 18 . 1 1 102 102 ASN N N 377 117.140 117.140 118.538 -1.398 17775 10862 1 18 . 1 1 102 102 ASN HA H 377 4.290 4.290 4.363 -0.073 17775 10863 1 18 . 1 1 102 102 ASN C C 377 176.980 176.980 177.334 -0.354 17775 10864 1 18 . 1 1 102 102 ASN CA C 377 56.460 56.460 56.653 -0.193 17775 10865 1 18 . 1 1 102 102 ASN CB C 377 38.440 38.440 38.114 0.326 17775 10866 1 18 . 1 1 102 102 ASN H H 377 8.430 8.430 8.003 0.427 17775 10867 1 18 . 1 1 103 103 ALA N N 378 123.350 123.350 123.484 -0.134 17775 10868 1 18 . 1 1 103 103 ALA HA H 378 4.130 4.130 4.058 0.072 17775 10869 1 18 . 1 1 103 103 ALA C C 378 180.510 180.510 179.395 1.115 17775 10870 1 18 . 1 1 103 103 ALA CA C 378 55.120 55.120 55.049 0.071 17775 10871 1 18 . 1 1 103 103 ALA CB C 378 17.960 17.960 18.618 -0.658 17775 10872 1 18 . 1 1 103 103 ALA H H 378 8.130 8.130 7.704 0.426 17775 10873 1 18 . 1 1 104 104 ILE N N 379 120.880 120.880 119.065 1.815 17775 10874 1 18 . 1 1 104 104 ILE HA H 379 3.680 3.680 3.676 0.004 17775 10875 1 18 . 1 1 104 104 ILE C C 379 178.260 178.260 178.340 -0.080 17775 10876 1 18 . 1 1 104 104 ILE CA C 379 64.860 64.860 65.886 -1.026 17775 10877 1 18 . 1 1 104 104 ILE CB C 379 38.080 38.080 38.049 0.031 17775 10878 1 18 . 1 1 104 104 ILE H H 379 8.010 8.010 7.719 0.291 17775 10879 1 18 . 1 1 105 105 ILE N N 380 119.970 119.970 119.435 0.535 17775 10880 1 18 . 1 1 105 105 ILE HA H 380 3.430 3.430 3.715 -0.285 17775 10881 1 18 . 1 1 105 105 ILE C C 380 177.660 177.660 178.018 -0.358 17775 10882 1 18 . 1 1 105 105 ILE CA C 380 65.490 65.490 65.772 -0.283 17775 10883 1 18 . 1 1 105 105 ILE CB C 380 38.060 38.060 37.524 0.536 17775 10884 1 18 . 1 1 105 105 ILE H H 380 8.060 8.060 7.881 0.179 17775 10885 1 18 . 1 1 106 106 GLU N N 381 118.640 118.640 120.287 -1.647 17775 10886 1 18 . 1 1 106 106 GLU HA H 381 3.970 3.970 3.891 0.079 17775 10887 1 18 . 1 1 106 106 GLU C C 381 178.440 178.440 178.589 -0.149 17775 10888 1 18 . 1 1 106 106 GLU CA C 381 59.260 59.260 59.925 -0.665 17775 10889 1 18 . 1 1 106 106 GLU CB C 381 29.570 29.570 29.549 0.021 17775 10890 1 18 . 1 1 106 106 GLU H H 381 8.140 8.140 8.146 -0.006 17775 10891 1 18 . 1 1 107 107 GLN N N 382 117.770 117.770 119.355 -1.585 17775 10892 1 18 . 1 1 107 107 GLN HA H 382 4.040 4.040 4.141 -0.101 17775 10893 1 18 . 1 1 107 107 GLN C C 382 177.550 177.550 178.449 -0.899 17775 10894 1 18 . 1 1 107 107 GLN CA C 382 58.170 58.170 58.873 -0.703 17775 10895 1 18 . 1 1 107 107 GLN CB C 382 28.770 28.770 28.483 0.287 17775 10896 1 18 . 1 1 107 107 GLN H H 382 7.710 7.710 7.792 -0.082 17775 10897 1 18 . 1 1 108 108 PHE N N 383 118.750 118.750 118.974 -0.224 17775 10898 1 18 . 1 1 108 108 PHE HA H 383 4.490 4.490 4.211 0.279 17775 10899 1 18 . 1 1 108 108 PHE C C 383 176.570 176.570 178.072 -1.502 17775 10900 1 18 . 1 1 108 108 PHE CA C 383 59.360 59.360 62.652 -3.292 17775 10901 1 18 . 1 1 108 108 PHE CB C 383 38.760 38.760 38.986 -0.226 17775 10902 1 18 . 1 1 108 108 PHE H H 383 7.880 7.880 7.847 0.033 17775 10903 1 18 . 1 1 109 109 ILE N N 384 118.200 118.200 118.725 -0.525 17775 10904 1 18 . 1 1 109 109 ILE HA H 384 3.720 3.720 3.803 -0.083 17775 10905 1 18 . 1 1 109 109 ILE C C 384 177.450 177.450 177.039 0.411 17775 10906 1 18 . 1 1 109 109 ILE CA C 384 64.280 64.280 64.721 -0.441 17775 10907 1 18 . 1 1 109 109 ILE CB C 384 37.870 37.870 37.763 0.107 17775 10908 1 18 . 1 1 109 109 ILE H H 384 7.950 7.950 7.746 0.204 17775 10909 1 18 . 1 1 110 110 ASP N N 385 119.750 119.750 118.942 0.808 17775 10910 1 18 . 1 1 110 110 ASP HA H 385 4.440 4.440 4.411 0.029 17775 10911 1 18 . 1 1 110 110 ASP C C 385 177.620 177.620 177.887 -0.267 17775 10912 1 18 . 1 1 110 110 ASP CA C 385 56.500 56.500 56.731 -0.231 17775 10913 1 18 . 1 1 110 110 ASP CB C 385 40.860 40.860 40.924 -0.064 17775 10914 1 18 . 1 1 110 110 ASP H H 385 7.840 7.840 8.048 -0.208 17775 10915 1 18 . 1 1 111 111 TYR N N 386 118.370 118.370 119.733 -1.363 17775 10916 1 18 . 1 1 111 111 TYR HA H 386 4.430 4.430 4.308 0.122 17775 10917 1 18 . 1 1 111 111 TYR C C 386 176.320 176.320 176.133 0.187 17775 10918 1 18 . 1 1 111 111 TYR CA C 386 58.940 58.940 60.941 -2.001 17775 10919 1 18 . 1 1 111 111 TYR CB C 386 38.440 38.440 39.565 -1.125 17775 10920 1 18 . 1 1 111 111 TYR H H 386 7.760 7.760 7.738 0.022 17775 10921 1 18 . 1 1 112 112 LEU N N 387 119.730 119.730 118.710 1.020 17775 10922 1 18 . 1 1 112 112 LEU HA H 387 4.230 4.230 4.472 -0.242 17775 10923 1 18 . 1 1 112 112 LEU C C 387 175.900 175.900 175.656 0.244 17775 10924 1 18 . 1 1 112 112 LEU CA C 387 55.090 55.090 54.267 0.823 17775 10925 1 18 . 1 1 112 112 LEU CB C 387 42.670 42.670 42.910 -0.240 17775 10926 1 18 . 1 1 112 112 LEU H H 387 7.660 7.660 7.696 -0.036 17775 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 99 2.076 -0.003 2.087 17775 2 1 1 "Average Difference" HA 110 0.213 -0.013 0.214 17775 3 1 1 "Average Difference" C 97 0.819 0.070 0.820 17775 4 1 1 "Average Difference" CA 107 0.865 0.003 0.869 17775 5 1 1 "Average Difference" CB 102 0.629 -0.038 0.631 17775 6 1 1 "Average Difference" HN 100 0.440 -0.176 0.406 17775 7 1 2 "Average Difference" N 99 2.069 0.094 2.078 17775 8 1 2 "Average Difference" HA 110 0.208 -0.014 0.209 17775 9 1 2 "Average Difference" C 97 0.859 0.131 0.853 17775 10 1 2 "Average Difference" CA 107 0.846 0.083 0.846 17775 11 1 2 "Average Difference" CB 102 0.638 -0.041 0.640 17775 12 1 2 "Average Difference" HN 100 0.420 -0.157 0.391 17775 13 1 3 "Average Difference" N 99 2.052 0.042 2.062 17775 14 1 3 "Average Difference" HA 110 0.203 -0.018 0.203 17775 15 1 3 "Average Difference" C 97 0.868 0.116 0.865 17775 16 1 3 "Average Difference" CA 107 0.864 0.053 0.867 17775 17 1 3 "Average Difference" CB 102 0.614 -0.048 0.615 17775 18 1 3 "Average Difference" HN 100 0.437 -0.160 0.409 17775 19 1 4 "Average Difference" N 99 2.004 0.016 2.014 17775 20 1 4 "Average Difference" HA 110 0.204 -0.017 0.204 17775 21 1 4 "Average Difference" C 97 0.836 0.080 0.836 17775 22 1 4 "Average Difference" CA 107 0.776 0.024 0.779 17775 23 1 4 "Average Difference" CB 102 0.614 -0.043 0.616 17775 24 1 4 "Average Difference" HN 100 0.424 -0.163 0.394 17775 25 1 5 "Average Difference" N 99 1.997 -0.032 2.007 17775 26 1 5 "Average Difference" HA 110 0.204 -0.023 0.203 17775 27 1 5 "Average Difference" C 97 0.848 0.106 0.845 17775 28 1 5 "Average Difference" CA 107 0.847 0.067 0.849 17775 29 1 5 "Average Difference" CB 102 0.606 -0.035 0.608 17775 30 1 5 "Average Difference" HN 100 0.426 -0.157 0.398 17775 31 1 6 "Average Difference" N 99 2.024 0.068 2.033 17775 32 1 6 "Average Difference" HA 110 0.202 -0.012 0.203 17775 33 1 6 "Average Difference" C 97 0.863 0.090 0.863 17775 34 1 6 "Average Difference" CA 107 0.852 0.081 0.852 17775 35 1 6 "Average Difference" CB 102 0.607 -0.046 0.608 17775 36 1 6 "Average Difference" HN 100 0.430 -0.146 0.406 17775 37 1 7 "Average Difference" N 99 2.209 0.057 2.219 17775 38 1 7 "Average Difference" HA 110 0.206 -0.007 0.207 17775 39 1 7 "Average Difference" C 97 0.809 0.082 0.809 17775 40 1 7 "Average Difference" CA 107 0.837 0.041 0.839 17775 41 1 7 "Average Difference" CB 102 0.609 -0.037 0.611 17775 42 1 7 "Average Difference" HN 100 0.424 -0.152 0.399 17775 43 1 8 "Average Difference" N 99 2.035 0.007 2.045 17775 44 1 8 "Average Difference" HA 110 0.207 -0.007 0.208 17775 45 1 8 "Average Difference" C 97 0.831 0.063 0.833 17775 46 1 8 "Average Difference" CA 107 0.855 -0.021 0.859 17775 47 1 8 "Average Difference" CB 102 0.632 -0.053 0.633 17775 48 1 8 "Average Difference" HN 100 0.423 -0.149 0.398 17775 49 1 9 "Average Difference" N 99 2.056 0.022 2.066 17775 50 1 9 "Average Difference" HA 110 0.208 -0.014 0.208 17775 51 1 9 "Average Difference" C 97 0.851 0.051 0.854 17775 52 1 9 "Average Difference" CA 107 0.843 0.015 0.847 17775 53 1 9 "Average Difference" CB 102 0.611 -0.030 0.613 17775 54 1 9 "Average Difference" HN 100 0.423 -0.153 0.396 17775 55 1 10 "Average Difference" N 99 2.039 0.075 2.048 17775 56 1 10 "Average Difference" HA 110 0.215 -0.008 0.215 17775 57 1 10 "Average Difference" C 97 0.854 0.134 0.848 17775 58 1 10 "Average Difference" CA 107 0.851 0.063 0.853 17775 59 1 10 "Average Difference" CB 102 0.624 -0.040 0.625 17775 60 1 10 "Average Difference" HN 100 0.410 -0.147 0.385 17775 61 1 11 "Average Difference" N 99 1.991 0.035 2.001 17775 62 1 11 "Average Difference" HA 110 0.209 -0.009 0.210 17775 63 1 11 "Average Difference" C 97 0.811 0.099 0.809 17775 64 1 11 "Average Difference" CA 107 0.833 0.051 0.835 17775 65 1 11 "Average Difference" CB 102 0.601 -0.028 0.603 17775 66 1 11 "Average Difference" HN 100 0.425 -0.154 0.398 17775 67 1 12 "Average Difference" N 99 2.010 0.060 2.019 17775 68 1 12 "Average Difference" HA 110 0.209 -0.013 0.209 17775 69 1 12 "Average Difference" C 97 0.826 0.075 0.827 17775 70 1 12 "Average Difference" CA 107 0.808 0.012 0.812 17775 71 1 12 "Average Difference" CB 102 0.613 -0.030 0.615 17775 72 1 12 "Average Difference" HN 100 0.431 -0.152 0.406 17775 73 1 13 "Average Difference" N 99 2.085 0.041 2.095 17775 74 1 13 "Average Difference" HA 110 0.203 -0.011 0.203 17775 75 1 13 "Average Difference" C 97 0.847 0.066 0.849 17775 76 1 13 "Average Difference" CA 107 0.850 -0.013 0.854 17775 77 1 13 "Average Difference" CB 102 0.603 -0.025 0.606 17775 78 1 13 "Average Difference" HN 100 0.430 -0.167 0.399 17775 79 1 14 "Average Difference" N 99 1.958 0.078 1.966 17775 80 1 14 "Average Difference" HA 110 0.203 -0.009 0.203 17775 81 1 14 "Average Difference" C 97 0.842 0.101 0.840 17775 82 1 14 "Average Difference" CA 107 0.821 0.038 0.824 17775 83 1 14 "Average Difference" CB 102 0.623 -0.029 0.625 17775 84 1 14 "Average Difference" HN 100 0.404 -0.150 0.377 17775 85 1 15 "Average Difference" N 99 2.052 -0.026 2.062 17775 86 1 15 "Average Difference" HA 110 0.202 -0.008 0.203 17775 87 1 15 "Average Difference" C 97 0.848 0.071 0.849 17775 88 1 15 "Average Difference" CA 107 0.828 0.007 0.832 17775 89 1 15 "Average Difference" CB 102 0.610 -0.010 0.613 17775 90 1 15 "Average Difference" HN 100 0.430 -0.160 0.401 17775 91 1 16 "Average Difference" N 99 2.008 0.080 2.017 17775 92 1 16 "Average Difference" HA 110 0.213 -0.009 0.214 17775 93 1 16 "Average Difference" C 97 0.824 0.098 0.823 17775 94 1 16 "Average Difference" CA 107 0.830 0.020 0.833 17775 95 1 16 "Average Difference" CB 102 0.607 -0.020 0.610 17775 96 1 16 "Average Difference" HN 100 0.424 -0.160 0.394 17775 97 1 17 "Average Difference" N 99 2.097 -0.006 2.108 17775 98 1 17 "Average Difference" HA 110 0.203 -0.014 0.203 17775 99 1 17 "Average Difference" C 97 0.837 0.104 0.835 17775 100 1 17 "Average Difference" CA 107 0.826 0.063 0.828 17775 101 1 17 "Average Difference" CB 102 0.627 -0.053 0.628 17775 102 1 17 "Average Difference" HN 100 0.421 -0.146 0.397 17775 103 1 18 "Average Difference" N 99 2.097 0.087 2.106 17775 104 1 18 "Average Difference" HA 110 0.209 -0.006 0.210 17775 105 1 18 "Average Difference" C 97 0.820 0.051 0.823 17775 106 1 18 "Average Difference" CA 107 0.838 0.013 0.842 17775 107 1 18 "Average Difference" CB 102 0.644 -0.031 0.647 17775 108 1 18 "Average Difference" HN 100 0.415 -0.157 0.386 17775 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 17775 _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 5 5 ILE HA H 280 4.190 4.190 3.863 0.327 17775 2 1 . 1 1 5 5 ILE CA C 280 61.650 61.650 63.753 -2.103 17775 3 1 . 1 1 5 5 ILE CB C 280 38.520 38.520 37.344 1.176 17775 4 1 . 1 1 6 6 THR HA H 281 4.340 4.340 3.976 0.364 17775 5 1 . 1 1 6 6 THR CA C 281 62.680 62.680 66.294 -3.614 17775 6 1 . 1 1 6 6 THR CB C 281 69.630 69.630 68.416 1.214 17775 7 1 . 1 1 8 8 PRO HA H 283 4.230 4.230 4.456 -0.226 17775 8 1 . 1 1 8 8 PRO CA C 283 65.940 65.940 65.747 0.193 17775 9 1 . 1 1 8 8 PRO CB C 283 30.730 30.730 30.807 -0.077 17775 10 1 . 1 1 9 9 ILE N N 284 115.670 115.670 118.642 -2.972 17775 11 1 . 1 1 9 9 ILE HA H 284 3.420 3.420 3.839 -0.419 17775 12 1 . 1 1 9 9 ILE C C 284 177.820 177.820 178.285 -0.465 17775 13 1 . 1 1 9 9 ILE CA C 284 65.540 65.540 63.860 1.680 17775 14 1 . 1 1 9 9 ILE CB C 284 36.810 36.810 36.830 -0.020 17775 15 1 . 1 1 9 9 ILE H H 284 7.300 7.300 7.230 0.070 17775 16 1 . 1 1 10 10 ILE N N 285 121.880 121.880 120.922 0.958 17775 17 1 . 1 1 10 10 ILE HA H 285 3.800 3.800 3.829 -0.029 17775 18 1 . 1 1 10 10 ILE C C 285 177.690 177.690 179.025 -1.335 17775 19 1 . 1 1 10 10 ILE CA C 285 62.880 62.880 63.188 -0.308 17775 20 1 . 1 1 10 10 ILE CB C 285 36.560 36.560 36.367 0.193 17775 21 1 . 1 1 10 10 ILE H H 285 7.880 7.880 7.790 0.090 17775 22 1 . 1 1 11 11 GLU N N 286 120.580 120.580 120.214 0.366 17775 23 1 . 1 1 11 11 GLU HA H 286 4.080 4.080 4.065 0.015 17775 24 1 . 1 1 11 11 GLU C C 286 180.980 180.980 179.631 1.349 17775 25 1 . 1 1 11 11 GLU CA C 286 59.630 59.630 59.807 -0.177 17775 26 1 . 1 1 11 11 GLU CB C 286 29.550 29.550 29.588 -0.038 17775 27 1 . 1 1 11 11 GLU H H 286 8.450 8.450 8.014 0.436 17775 28 1 . 1 1 12 12 LEU N N 287 121.340 121.340 119.582 1.758 17775 29 1 . 1 1 12 12 LEU HA H 287 4.010 4.010 4.065 -0.055 17775 30 1 . 1 1 12 12 LEU C C 287 178.030 178.030 179.022 -0.992 17775 31 1 . 1 1 12 12 LEU CA C 287 58.310 58.310 58.114 0.196 17775 32 1 . 1 1 12 12 LEU CB C 287 42.050 42.050 41.930 0.120 17775 33 1 . 1 1 12 12 LEU H H 287 8.490 8.490 8.079 0.411 17775 34 1 . 1 1 13 13 SER N N 288 117.590 117.590 115.118 2.472 17775 35 1 . 1 1 13 13 SER HA H 288 4.190 4.190 4.056 0.134 17775 36 1 . 1 1 13 13 SER C C 288 175.660 175.660 176.808 -1.148 17775 37 1 . 1 1 13 13 SER CA C 288 61.670 61.670 61.748 -0.078 17775 38 1 . 1 1 13 13 SER CB C 288 62.490 62.490 62.878 -0.388 17775 39 1 . 1 1 13 13 SER H H 288 8.330 8.330 8.208 0.122 17775 40 1 . 1 1 14 14 ASN N N 289 119.150 119.150 121.068 -1.918 17775 41 1 . 1 1 14 14 ASN HA H 289 4.450 4.450 4.579 -0.129 17775 42 1 . 1 1 14 14 ASN C C 289 178.480 178.480 177.884 0.596 17775 43 1 . 1 1 14 14 ASN CA C 289 55.870 55.870 56.082 -0.212 17775 44 1 . 1 1 14 14 ASN CB C 289 38.090 38.090 38.336 -0.246 17775 45 1 . 1 1 14 14 ASN H H 289 8.650 8.650 8.271 0.379 17775 46 1 . 1 1 15 15 THR N N 290 117.650 117.650 117.310 0.340 17775 47 1 . 1 1 15 15 THR HA H 290 3.830 3.830 3.975 -0.145 17775 48 1 . 1 1 15 15 THR C C 290 175.030 175.030 176.012 -0.982 17775 49 1 . 1 1 15 15 THR CA C 290 67.790 67.790 66.770 1.020 17775 50 1 . 1 1 15 15 THR CB C 290 68.660 68.660 68.582 0.078 17775 51 1 . 1 1 15 15 THR H H 290 8.040 8.040 8.031 0.009 17775 52 1 . 1 1 16 16 ALA N N 291 124.470 124.470 124.255 0.215 17775 53 1 . 1 1 16 16 ALA HA H 291 3.850 3.850 3.923 -0.073 17775 54 1 . 1 1 16 16 ALA C C 291 178.470 178.470 179.112 -0.642 17775 55 1 . 1 1 16 16 ALA CA C 291 55.430 55.430 55.226 0.204 17775 56 1 . 1 1 16 16 ALA CB C 291 17.820 17.820 18.200 -0.380 17775 57 1 . 1 1 16 16 ALA H H 291 8.530 8.530 7.883 0.647 17775 58 1 . 1 1 17 17 ASP N N 292 117.560 117.560 119.010 -1.450 17775 59 1 . 1 1 17 17 ASP HA H 292 4.360 4.360 4.344 0.016 17775 60 1 . 1 1 17 17 ASP C C 292 178.420 178.420 178.846 -0.426 17775 61 1 . 1 1 17 17 ASP CA C 292 57.430 57.430 57.546 -0.116 17775 62 1 . 1 1 17 17 ASP CB C 292 40.130 40.130 40.369 -0.239 17775 63 1 . 1 1 17 17 ASP H H 292 8.290 8.290 7.997 0.293 17775 64 1 . 1 1 18 18 LYS N N 293 119.100 119.100 119.963 -0.863 17775 65 1 . 1 1 18 18 LYS HA H 293 4.010 4.010 4.205 -0.195 17775 66 1 . 1 1 18 18 LYS C C 293 180.170 180.170 179.083 1.087 17775 67 1 . 1 1 18 18 LYS CA C 293 59.020 59.020 59.388 -0.368 17775 68 1 . 1 1 18 18 LYS CB C 293 32.270 32.270 32.496 -0.226 17775 69 1 . 1 1 18 18 LYS H H 293 7.690 7.690 7.553 0.137 17775 70 1 . 1 1 19 19 ILE N N 294 122.510 122.510 119.858 2.652 17775 71 1 . 1 1 19 19 ILE HA H 294 3.690 3.690 4.044 -0.354 17775 72 1 . 1 1 19 19 ILE C C 294 178.920 178.920 178.729 0.191 17775 73 1 . 1 1 19 19 ILE CA C 294 64.400 64.400 64.836 -0.436 17775 74 1 . 1 1 19 19 ILE CB C 294 38.320 38.320 37.914 0.406 17775 75 1 . 1 1 19 19 ILE H H 294 8.220 8.220 7.752 0.468 17775 76 1 . 1 1 20 20 ALA N N 295 123.270 123.270 122.121 1.149 17775 77 1 . 1 1 20 20 ALA HA H 295 3.850 3.850 4.070 -0.220 17775 78 1 . 1 1 20 20 ALA C C 295 179.390 179.390 178.970 0.420 17775 79 1 . 1 1 20 20 ALA CA C 295 55.370 55.370 54.837 0.533 17775 80 1 . 1 1 20 20 ALA CB C 295 17.880 17.880 18.354 -0.474 17775 81 1 . 1 1 20 20 ALA H H 295 8.580 8.580 7.840 0.740 17775 82 1 . 1 1 21 21 GLU N N 296 115.530 115.530 116.413 -0.883 17775 83 1 . 1 1 21 21 GLU HA H 296 4.160 4.160 4.184 -0.024 17775 84 1 . 1 1 21 21 GLU C C 296 176.560 176.560 177.655 -1.095 17775 85 1 . 1 1 21 21 GLU CA C 296 56.400 56.400 56.382 0.018 17775 86 1 . 1 1 21 21 GLU CB C 296 29.830 29.830 29.721 0.109 17775 87 1 . 1 1 21 21 GLU H H 296 7.680 7.680 7.780 -0.100 17775 88 1 . 1 1 22 22 GLY N N 297 105.910 105.910 107.823 -1.913 17775 89 1 . 1 1 22 22 GLY C C 297 174.160 174.160 174.343 -0.183 17775 90 1 . 1 1 22 22 GLY CA C 297 45.040 45.040 44.631 0.409 17775 91 1 . 1 1 22 22 GLY H H 297 7.820 7.820 7.958 -0.138 17775 92 1 . 1 1 23 23 ASN N N 298 120.260 120.260 121.337 -1.077 17775 93 1 . 1 1 23 23 ASN HA H 298 4.960 4.960 4.976 -0.016 17775 94 1 . 1 1 23 23 ASN C C 298 174.560 174.560 175.929 -1.369 17775 95 1 . 1 1 23 23 ASN CA C 298 51.800 51.800 51.889 -0.089 17775 96 1 . 1 1 23 23 ASN CB C 298 36.750 36.750 37.568 -0.818 17775 97 1 . 1 1 23 23 ASN H H 298 8.070 8.070 8.099 -0.029 17775 98 1 . 1 1 24 24 LEU N N 299 119.750 119.750 122.603 -2.853 17775 99 1 . 1 1 24 24 LEU HA H 299 3.950 3.950 4.033 -0.083 17775 100 1 . 1 1 24 24 LEU C C 299 176.390 176.390 178.153 -1.763 17775 101 1 . 1 1 24 24 LEU CA C 299 56.250 56.250 57.642 -1.392 17775 102 1 . 1 1 24 24 LEU CB C 299 41.260 41.260 41.637 -0.377 17775 103 1 . 1 1 24 24 LEU H H 299 7.850 7.850 7.552 0.298 17775 104 1 . 1 1 25 25 GLU N N 300 114.210 114.210 117.504 -3.294 17775 105 1 . 1 1 25 25 GLU HA H 300 4.230 4.230 4.216 0.014 17775 106 1 . 1 1 25 25 GLU C C 300 176.050 176.050 176.135 -0.085 17775 107 1 . 1 1 25 25 GLU CA C 300 55.640 55.640 56.403 -0.763 17775 108 1 . 1 1 25 25 GLU CB C 300 29.410 29.410 29.288 0.122 17775 109 1 . 1 1 25 25 GLU H H 300 7.840 7.840 8.439 -0.599 17775 110 1 . 1 1 26 26 ALA N N 301 124.010 124.010 124.441 -0.431 17775 111 1 . 1 1 26 26 ALA HA H 301 3.880 3.880 4.141 -0.261 17775 112 1 . 1 1 26 26 ALA C C 301 175.390 175.390 177.010 -1.620 17775 113 1 . 1 1 26 26 ALA CA C 301 52.890 52.890 52.504 0.386 17775 114 1 . 1 1 26 26 ALA CB C 301 18.570 18.570 18.985 -0.415 17775 115 1 . 1 1 26 26 ALA H H 301 6.770 6.770 7.282 -0.512 17775 116 1 . 1 1 27 27 GLU N N 302 120.120 120.120 123.274 -3.154 17775 117 1 . 1 1 27 27 GLU HA H 302 4.080 4.080 4.218 -0.138 17775 118 1 . 1 1 27 27 GLU C C 302 176.510 176.510 176.281 0.229 17775 119 1 . 1 1 27 27 GLU CA C 302 55.150 55.150 56.032 -0.882 17775 120 1 . 1 1 27 27 GLU CB C 302 30.160 30.160 30.360 -0.200 17775 121 1 . 1 1 27 27 GLU H H 302 7.880 7.880 8.365 -0.485 17775 122 1 . 1 1 28 28 VAL N N 303 129.020 129.020 125.116 3.904 17775 123 1 . 1 1 28 28 VAL HA H 303 4.230 4.230 4.179 0.052 17775 124 1 . 1 1 28 28 VAL CA C 303 60.440 60.440 60.568 -0.128 17775 125 1 . 1 1 28 28 VAL CB C 303 31.760 31.760 31.698 0.062 17775 126 1 . 1 1 28 28 VAL H H 303 8.890 8.890 8.100 0.790 17775 127 1 . 1 1 29 29 PRO HA H 304 4.400 4.400 4.542 -0.142 17775 128 1 . 1 1 29 29 PRO CA C 304 62.790 62.790 62.090 0.700 17775 129 1 . 1 1 29 29 PRO CB C 304 32.120 32.120 32.775 -0.655 17775 130 1 . 1 1 30 30 HIS N N 305 103.640 103.640 112.578 -8.938 17775 131 1 . 1 1 30 30 HIS HA H 305 4.210 4.210 4.206 0.005 17775 132 1 . 1 1 30 30 HIS C C 305 175.590 175.590 176.736 -1.146 17775 133 1 . 1 1 30 30 HIS CA C 305 57.950 57.950 57.431 0.519 17775 134 1 . 1 1 30 30 HIS CB C 305 27.910 27.910 27.292 0.618 17775 135 1 . 1 1 30 30 HIS H H 305 7.780 7.780 8.359 -0.579 17775 136 1 . 1 1 31 31 GLN N N 306 114.840 114.840 117.909 -3.069 17775 137 1 . 1 1 31 31 GLN HA H 306 3.990 3.990 4.083 -0.093 17775 138 1 . 1 1 31 31 GLN C C 306 176.290 176.290 176.652 -0.362 17775 139 1 . 1 1 31 31 GLN CA C 306 58.680 58.680 58.624 0.056 17775 140 1 . 1 1 31 31 GLN CB C 306 30.630 30.630 28.789 1.841 17775 141 1 . 1 1 31 31 GLN H H 306 8.010 8.010 8.573 -0.563 17775 142 1 . 1 1 32 32 ASN N N 307 113.230 113.230 114.261 -1.031 17775 143 1 . 1 1 32 32 ASN HA H 307 4.640 4.640 4.656 -0.016 17775 144 1 . 1 1 32 32 ASN C C 307 175.610 175.610 175.500 0.110 17775 145 1 . 1 1 32 32 ASN CA C 307 52.800 52.800 53.360 -0.560 17775 146 1 . 1 1 32 32 ASN CB C 307 37.630 37.630 38.240 -0.610 17775 147 1 . 1 1 32 32 ASN H H 307 8.360 8.360 8.270 0.090 17775 148 1 . 1 1 33 33 ARG N N 308 119.580 119.580 120.968 -1.388 17775 149 1 . 1 1 33 33 ARG HA H 308 4.140 4.140 4.284 -0.144 17775 150 1 . 1 1 33 33 ARG CA C 308 56.950 56.950 56.595 0.355 17775 151 1 . 1 1 33 33 ARG CB C 308 33.030 33.030 30.970 2.060 17775 152 1 . 1 1 33 33 ARG H H 308 7.160 7.160 7.445 -0.285 17775 153 1 . 1 1 34 34 ALA HA H 309 4.530 4.530 4.281 0.249 17775 154 1 . 1 1 34 34 ALA C C 309 176.610 176.610 177.018 -0.408 17775 155 1 . 1 1 34 34 ALA CA C 309 51.650 51.650 52.663 -1.013 17775 156 1 . 1 1 34 34 ALA CB C 309 18.830 18.830 19.170 -0.340 17775 157 1 . 1 1 35 35 ASP N N 310 117.680 117.680 118.883 -1.203 17775 158 1 . 1 1 35 35 ASP HA H 310 4.660 4.660 4.644 0.016 17775 159 1 . 1 1 35 35 ASP C C 310 176.740 176.740 177.090 -0.350 17775 160 1 . 1 1 35 35 ASP CA C 310 52.240 52.240 52.942 -0.702 17775 161 1 . 1 1 35 35 ASP CB C 310 41.580 41.580 40.642 0.938 17775 162 1 . 1 1 35 35 ASP H H 310 7.460 7.460 7.702 -0.242 17775 163 1 . 1 1 36 36 GLU N N 311 118.110 118.110 117.338 0.772 17775 164 1 . 1 1 36 36 GLU HA H 311 3.870 3.870 4.061 -0.191 17775 165 1 . 1 1 36 36 GLU C C 311 177.440 177.440 178.433 -0.993 17775 166 1 . 1 1 36 36 GLU CA C 311 60.460 60.460 59.805 0.655 17775 167 1 . 1 1 36 36 GLU CB C 311 27.660 27.660 29.387 -1.727 17775 168 1 . 1 1 36 36 GLU H H 311 9.910 9.910 8.654 1.256 17775 169 1 . 1 1 37 37 ILE N N 312 118.790 118.790 119.424 -0.634 17775 170 1 . 1 1 37 37 ILE HA H 312 3.570 3.570 3.871 -0.301 17775 171 1 . 1 1 37 37 ILE C C 312 177.460 177.460 178.151 -0.691 17775 172 1 . 1 1 37 37 ILE CA C 312 63.170 63.170 62.767 0.403 17775 173 1 . 1 1 37 37 ILE CB C 312 35.770 35.770 36.621 -0.851 17775 174 1 . 1 1 37 37 ILE H H 312 7.420 7.420 7.615 -0.194 17775 175 1 . 1 1 38 38 GLY N N 313 108.320 108.320 109.239 -0.919 17775 176 1 . 1 1 38 38 GLY C C 313 176.200 176.200 176.181 0.019 17775 177 1 . 1 1 38 38 GLY CA C 313 47.090 47.090 47.365 -0.275 17775 178 1 . 1 1 38 38 GLY H H 313 7.510 7.510 7.910 -0.400 17775 179 1 . 1 1 39 39 ILE N N 314 121.890 121.890 122.529 -0.639 17775 180 1 . 1 1 39 39 ILE HA H 314 3.630 3.630 3.693 -0.062 17775 181 1 . 1 1 39 39 ILE C C 314 179.070 179.070 177.572 1.498 17775 182 1 . 1 1 39 39 ILE CA C 314 64.750 64.750 65.018 -0.268 17775 183 1 . 1 1 39 39 ILE CB C 314 37.610 37.610 37.976 -0.366 17775 184 1 . 1 1 39 39 ILE H H 314 7.390 7.390 7.679 -0.289 17775 185 1 . 1 1 40 40 LEU N N 315 121.370 121.370 121.490 -0.120 17775 186 1 . 1 1 40 40 LEU HA H 315 4.120 4.120 4.063 0.057 17775 187 1 . 1 1 40 40 LEU C C 315 178.560 178.560 178.201 0.359 17775 188 1 . 1 1 40 40 LEU CA C 315 57.620 57.620 57.816 -0.196 17775 189 1 . 1 1 40 40 LEU CB C 315 41.490 41.490 41.575 -0.085 17775 190 1 . 1 1 40 40 LEU H H 315 7.770 7.770 7.807 -0.037 17775 191 1 . 1 1 41 41 ALA N N 316 123.480 123.480 121.642 1.838 17775 192 1 . 1 1 41 41 ALA HA H 316 3.840 3.840 3.942 -0.102 17775 193 1 . 1 1 41 41 ALA C C 316 179.700 179.700 179.549 0.151 17775 194 1 . 1 1 41 41 ALA CA C 316 56.180 56.180 55.476 0.704 17775 195 1 . 1 1 41 41 ALA CB C 316 19.870 19.870 18.364 1.506 17775 196 1 . 1 1 41 41 ALA H H 316 9.020 9.020 8.039 0.981 17775 197 1 . 1 1 42 42 LYS N N 317 116.890 116.890 118.485 -1.595 17775 198 1 . 1 1 42 42 LYS HA H 317 3.900 3.900 3.987 -0.087 17775 199 1 . 1 1 42 42 LYS C C 317 179.730 179.730 179.167 0.563 17775 200 1 . 1 1 42 42 LYS CA C 317 60.430 60.430 59.533 0.897 17775 201 1 . 1 1 42 42 LYS H H 317 8.320 8.320 7.973 0.347 17775 202 1 . 1 1 43 43 SER N N 318 119.130 119.130 115.669 3.461 17775 203 1 . 1 1 43 43 SER HA H 318 4.340 4.340 4.198 0.142 17775 204 1 . 1 1 43 43 SER C C 318 177.430 177.430 176.709 0.721 17775 205 1 . 1 1 43 43 SER CA C 318 62.630 62.630 61.747 0.884 17775 206 1 . 1 1 43 43 SER CB C 318 63.050 63.050 62.940 0.110 17775 207 1 . 1 1 43 43 SER H H 318 8.060 8.060 7.977 0.083 17775 208 1 . 1 1 44 44 ILE N N 319 124.020 124.020 122.990 1.030 17775 209 1 . 1 1 44 44 ILE HA H 319 3.640 3.640 3.686 -0.046 17775 210 1 . 1 1 44 44 ILE C C 319 177.190 177.190 177.877 -0.687 17775 211 1 . 1 1 44 44 ILE CA C 319 65.020 65.020 65.093 -0.073 17775 212 1 . 1 1 44 44 ILE CB C 319 36.790 36.790 37.638 -0.848 17775 213 1 . 1 1 44 44 ILE H H 319 8.250 8.250 7.682 0.568 17775 214 1 . 1 1 45 45 GLU N N 320 123.090 123.090 120.719 2.371 17775 215 1 . 1 1 45 45 GLU HA H 320 4.600 4.600 3.957 0.643 17775 216 1 . 1 1 45 45 GLU C C 320 178.190 178.190 178.655 -0.465 17775 217 1 . 1 1 45 45 GLU CA C 320 58.430 58.430 59.458 -1.028 17775 218 1 . 1 1 45 45 GLU CB C 320 27.700 27.700 29.216 -1.516 17775 219 1 . 1 1 45 45 GLU H H 320 8.390 8.390 8.052 0.338 17775 220 1 . 1 1 46 46 ARG N N 321 119.760 119.760 119.226 0.534 17775 221 1 . 1 1 46 46 ARG HA H 321 3.930 3.930 4.045 -0.115 17775 222 1 . 1 1 46 46 ARG C C 321 179.950 179.950 179.041 0.909 17775 223 1 . 1 1 46 46 ARG CA C 321 60.440 60.440 59.405 1.035 17775 224 1 . 1 1 46 46 ARG CB C 321 29.770 29.770 30.150 -0.380 17775 225 1 . 1 1 46 46 ARG H H 321 8.000 8.000 7.826 0.174 17775 226 1 . 1 1 47 47 LEU N N 322 121.360 121.360 119.504 1.856 17775 227 1 . 1 1 47 47 LEU HA H 322 4.020 4.020 4.005 0.015 17775 228 1 . 1 1 47 47 LEU C C 322 178.040 178.040 178.758 -0.718 17775 229 1 . 1 1 47 47 LEU CA C 322 58.550 58.550 57.939 0.611 17775 230 1 . 1 1 47 47 LEU CB C 322 41.650 41.650 41.506 0.144 17775 231 1 . 1 1 47 47 LEU H H 322 7.870 7.870 7.869 0.001 17775 232 1 . 1 1 48 48 ARG N N 323 121.390 121.390 119.415 1.975 17775 233 1 . 1 1 48 48 ARG HA H 323 3.690 3.690 3.928 -0.238 17775 234 1 . 1 1 48 48 ARG C C 323 178.120 178.120 178.405 -0.285 17775 235 1 . 1 1 48 48 ARG CA C 323 60.630 60.630 59.751 0.879 17775 236 1 . 1 1 48 48 ARG CB C 323 30.230 30.230 29.978 0.252 17775 237 1 . 1 1 48 48 ARG H H 323 8.730 8.730 7.916 0.813 17775 238 1 . 1 1 49 49 ARG N N 324 116.720 116.720 118.779 -2.059 17775 239 1 . 1 1 49 49 ARG HA H 324 3.840 3.840 4.005 -0.165 17775 240 1 . 1 1 49 49 ARG C C 324 179.060 179.060 178.562 0.498 17775 241 1 . 1 1 49 49 ARG CA C 324 59.930 59.930 59.762 0.168 17775 242 1 . 1 1 49 49 ARG CB C 324 29.830 29.830 30.067 -0.237 17775 243 1 . 1 1 49 49 ARG H H 324 8.550 8.550 8.118 0.432 17775 244 1 . 1 1 50 50 SER N N 325 117.600 117.600 116.360 1.240 17775 245 1 . 1 1 50 50 SER HA H 325 4.120 4.120 4.210 -0.090 17775 246 1 . 1 1 50 50 SER C C 325 176.050 176.050 176.705 -0.655 17775 247 1 . 1 1 50 50 SER CA C 325 62.630 62.630 62.423 0.207 17775 248 1 . 1 1 50 50 SER CB C 325 62.950 62.950 62.995 -0.044 17775 249 1 . 1 1 50 50 SER H H 325 8.170 8.170 7.792 0.378 17775 250 1 . 1 1 51 51 LEU N N 326 123.730 123.730 122.096 1.633 17775 251 1 . 1 1 51 51 LEU HA H 326 3.990 3.990 3.948 0.042 17775 252 1 . 1 1 51 51 LEU C C 326 177.380 177.380 178.437 -1.057 17775 253 1 . 1 1 51 51 LEU CA C 326 58.580 58.580 58.053 0.527 17775 254 1 . 1 1 51 51 LEU CB C 326 42.190 42.190 41.696 0.494 17775 255 1 . 1 1 51 51 LEU H H 326 8.190 8.190 7.811 0.379 17775 256 1 . 1 1 52 52 LYS N N 327 119.170 119.170 119.179 -0.009 17775 257 1 . 1 1 52 52 LYS HA H 327 3.860 3.860 3.870 -0.010 17775 258 1 . 1 1 52 52 LYS C C 327 179.050 179.050 178.917 0.133 17775 259 1 . 1 1 52 52 LYS CA C 327 59.700 59.700 59.637 0.063 17775 260 1 . 1 1 52 52 LYS CB C 327 32.020 32.020 32.225 -0.205 17775 261 1 . 1 1 52 52 LYS H H 327 8.580 8.580 7.978 0.602 17775 262 1 . 1 1 53 53 GLN N N 328 118.180 118.180 119.003 -0.823 17775 263 1 . 1 1 53 53 GLN HA H 328 4.080 4.080 4.055 0.025 17775 264 1 . 1 1 53 53 GLN C C 328 177.960 177.960 178.578 -0.618 17775 265 1 . 1 1 53 53 GLN CA C 328 58.690 58.690 59.015 -0.325 17775 266 1 . 1 1 53 53 GLN CB C 328 28.450 28.450 28.724 -0.274 17775 267 1 . 1 1 53 53 GLN H H 328 8.080 8.080 7.942 0.138 17775 268 1 . 1 1 54 54 LEU N N 329 118.740 118.740 119.868 -1.128 17775 269 1 . 1 1 54 54 LEU HA H 329 4.150 4.150 4.029 0.121 17775 270 1 . 1 1 54 54 LEU C C 329 179.580 179.580 178.881 0.699 17775 271 1 . 1 1 54 54 LEU CA C 329 58.080 58.080 57.790 0.290 17775 272 1 . 1 1 54 54 LEU CB C 329 42.620 42.620 41.745 0.874 17775 273 1 . 1 1 54 54 LEU H H 329 7.680 7.680 7.991 -0.311 17775 274 1 . 1 1 55 55 ALA N N 330 123.330 123.330 122.058 1.272 17775 275 1 . 1 1 55 55 ALA HA H 330 4.050 4.050 3.913 0.137 17775 276 1 . 1 1 55 55 ALA C C 330 180.530 180.530 179.445 1.085 17775 277 1 . 1 1 55 55 ALA CA C 330 55.630 55.630 55.449 0.181 17775 278 1 . 1 1 55 55 ALA CB C 330 18.320 18.320 18.002 0.318 17775 279 1 . 1 1 55 55 ALA H H 330 8.390 8.390 7.954 0.436 17775 280 1 . 1 1 56 56 ASP N N 331 121.350 121.350 119.061 2.289 17775 281 1 . 1 1 56 56 ASP HA H 331 4.420 4.420 4.347 0.073 17775 282 1 . 1 1 56 56 ASP C C 331 179.100 179.100 178.492 0.608 17775 283 1 . 1 1 56 56 ASP CA C 331 57.430 57.430 57.428 0.002 17775 284 1 . 1 1 56 56 ASP CB C 331 39.630 39.630 40.216 -0.586 17775 285 1 . 1 1 56 56 ASP H H 331 8.820 8.820 8.001 0.819 17775 286 1 . 1 1 57 57 ASP N N 332 121.570 121.570 120.197 1.373 17775 287 1 . 1 1 57 57 ASP HA H 332 4.490 4.490 4.363 0.127 17775 288 1 . 1 1 57 57 ASP C C 332 179.080 179.080 178.525 0.555 17775 289 1 . 1 1 57 57 ASP CA C 332 57.380 57.380 57.290 0.090 17775 290 1 . 1 1 57 57 ASP CB C 332 40.440 40.440 40.563 -0.123 17775 291 1 . 1 1 57 57 ASP H H 332 8.420 8.420 8.154 0.266 17775 292 1 . 1 1 58 58 ARG N N 333 120.250 120.250 120.035 0.214 17775 293 1 . 1 1 58 58 ARG HA H 333 3.940 3.940 3.981 -0.041 17775 294 1 . 1 1 58 58 ARG C C 333 177.770 177.770 178.558 -0.787 17775 295 1 . 1 1 58 58 ARG CA C 333 58.790 58.790 59.618 -0.828 17775 296 1 . 1 1 58 58 ARG CB C 333 30.300 30.300 30.354 -0.054 17775 297 1 . 1 1 58 58 ARG H H 333 7.900 7.900 7.805 0.095 17775 298 1 . 1 1 59 59 THR N N 334 115.160 115.160 115.273 -0.113 17775 299 1 . 1 1 59 59 THR HA H 334 3.960 3.960 4.069 -0.109 17775 300 1 . 1 1 59 59 THR C C 334 176.690 176.690 176.692 -0.002 17775 301 1 . 1 1 59 59 THR CA C 334 66.430 66.430 66.636 -0.206 17775 302 1 . 1 1 59 59 THR CB C 334 68.720 68.720 68.484 0.236 17775 303 1 . 1 1 59 59 THR H H 334 7.940 7.940 7.645 0.295 17775 304 1 . 1 1 60 60 LEU N N 335 123.040 123.040 121.774 1.266 17775 305 1 . 1 1 60 60 LEU HA H 335 4.070 4.070 3.964 0.106 17775 306 1 . 1 1 60 60 LEU C C 335 180.040 180.040 178.882 1.158 17775 307 1 . 1 1 60 60 LEU CA C 335 57.690 57.690 57.727 -0.037 17775 308 1 . 1 1 60 60 LEU CB C 335 41.810 41.810 41.561 0.249 17775 309 1 . 1 1 60 60 LEU H H 335 7.860 7.860 7.792 0.068 17775 310 1 . 1 1 61 61 LEU N N 336 121.600 121.600 120.343 1.257 17775 311 1 . 1 1 61 61 LEU HA H 336 4.020 4.020 3.885 0.136 17775 312 1 . 1 1 61 61 LEU C C 336 179.360 179.360 178.447 0.913 17775 313 1 . 1 1 61 61 LEU CA C 336 57.900 57.900 58.260 -0.360 17775 314 1 . 1 1 61 61 LEU CB C 336 41.970 41.970 41.855 0.115 17775 315 1 . 1 1 61 61 LEU H H 336 8.180 8.180 8.025 0.155 17775 316 1 . 1 1 62 62 MET N N 337 116.900 116.900 118.519 -1.619 17775 317 1 . 1 1 62 62 MET HA H 337 4.110 4.110 3.874 0.236 17775 318 1 . 1 1 62 62 MET C C 337 179.750 179.750 177.981 1.768 17775 319 1 . 1 1 62 62 MET CA C 337 57.850 57.850 59.116 -1.266 17775 320 1 . 1 1 62 62 MET CB C 337 32.200 32.200 32.457 -0.257 17775 321 1 . 1 1 62 62 MET H H 337 8.160 8.160 7.649 0.511 17775 322 1 . 1 1 63 63 ALA N N 338 122.990 122.990 120.650 2.340 17775 323 1 . 1 1 63 63 ALA HA H 338 4.110 4.110 4.036 0.074 17775 324 1 . 1 1 63 63 ALA C C 338 180.420 180.420 179.560 0.860 17775 325 1 . 1 1 63 63 ALA CA C 338 55.270 55.270 55.232 0.038 17775 326 1 . 1 1 63 63 ALA CB C 338 17.960 17.960 18.087 -0.128 17775 327 1 . 1 1 63 63 ALA H H 338 8.090 8.090 7.781 0.309 17775 328 1 . 1 1 64 64 GLY N N 339 106.980 106.980 106.914 0.066 17775 329 1 . 1 1 64 64 GLY C C 339 175.240 175.240 176.225 -0.985 17775 330 1 . 1 1 64 64 GLY CA C 339 47.190 47.190 47.210 -0.020 17775 331 1 . 1 1 64 64 GLY H H 339 8.070 8.070 7.953 0.117 17775 332 1 . 1 1 65 65 VAL N N 340 120.660 120.660 122.037 -1.377 17775 333 1 . 1 1 65 65 VAL HA H 340 3.780 3.780 3.608 0.172 17775 334 1 . 1 1 65 65 VAL C C 340 176.960 176.960 178.040 -1.080 17775 335 1 . 1 1 65 65 VAL CA C 340 65.620 65.620 66.151 -0.531 17775 336 1 . 1 1 65 65 VAL CB C 340 31.690 31.690 31.288 0.402 17775 337 1 . 1 1 65 65 VAL H H 340 8.100 8.100 7.749 0.351 17775 338 1 . 1 1 66 66 SER N N 341 112.150 112.150 115.402 -3.252 17775 339 1 . 1 1 66 66 SER HA H 341 4.000 4.000 4.020 -0.020 17775 340 1 . 1 1 66 66 SER C C 341 175.860 175.860 176.650 -0.790 17775 341 1 . 1 1 66 66 SER CA C 341 61.240 61.240 61.934 -0.694 17775 342 1 . 1 1 66 66 SER CB C 341 63.260 63.260 63.028 0.232 17775 343 1 . 1 1 66 66 SER H H 341 7.810 7.810 7.844 -0.034 17775 344 1 . 1 1 67 67 HIS N N 342 118.910 118.910 121.241 -2.331 17775 345 1 . 1 1 67 67 HIS HA H 342 4.440 4.440 4.236 0.204 17775 346 1 . 1 1 67 67 HIS C C 342 177.780 177.780 177.986 -0.206 17775 347 1 . 1 1 67 67 HIS CA C 342 59.160 59.160 59.888 -0.728 17775 348 1 . 1 1 67 67 HIS CB C 342 30.400 30.400 30.025 0.375 17775 349 1 . 1 1 67 67 HIS H H 342 7.830 7.830 7.877 -0.047 17775 350 1 . 1 1 68 68 ASP N N 343 120.590 120.590 120.082 0.508 17775 351 1 . 1 1 68 68 ASP HA H 343 4.440 4.440 4.391 0.049 17775 352 1 . 1 1 68 68 ASP C C 343 178.470 178.470 178.906 -0.436 17775 353 1 . 1 1 68 68 ASP CA C 343 57.500 57.500 57.256 0.244 17775 354 1 . 1 1 68 68 ASP CB C 343 39.880 39.880 40.487 -0.607 17775 355 1 . 1 1 68 68 ASP H H 343 8.580 8.580 7.982 0.598 17775 356 1 . 1 1 69 69 LEU N N 344 117.900 117.900 119.826 -1.926 17775 357 1 . 1 1 69 69 LEU HA H 344 4.190 4.190 3.979 0.211 17775 358 1 . 1 1 69 69 LEU C C 344 177.010 177.010 178.396 -1.386 17775 359 1 . 1 1 69 69 LEU CA C 344 56.810 56.810 57.366 -0.556 17775 360 1 . 1 1 69 69 LEU CB C 344 43.300 43.300 41.543 1.757 17775 361 1 . 1 1 69 69 LEU H H 344 8.300 8.300 7.933 0.367 17775 362 1 . 1 1 70 70 ARG N N 345 114.380 114.380 118.502 -4.122 17775 363 1 . 1 1 70 70 ARG HA H 345 3.930 3.930 3.908 0.022 17775 364 1 . 1 1 70 70 ARG C C 345 178.840 178.840 178.238 0.602 17775 365 1 . 1 1 70 70 ARG CA C 345 59.420 59.420 59.677 -0.257 17775 366 1 . 1 1 70 70 ARG CB C 345 30.210 30.210 29.858 0.352 17775 367 1 . 1 1 70 70 ARG H H 345 7.280 7.280 7.776 -0.496 17775 368 1 . 1 1 71 71 THR N N 346 115.370 115.370 115.318 0.052 17775 369 1 . 1 1 71 71 THR HA H 346 4.060 4.060 4.167 -0.107 17775 370 1 . 1 1 71 71 THR CA C 346 68.800 68.800 68.301 0.499 17775 371 1 . 1 1 71 71 THR CB C 346 66.590 66.590 66.538 0.052 17775 372 1 . 1 1 71 71 THR H H 346 7.540 7.540 7.641 -0.101 17775 373 1 . 1 1 72 72 PRO HA H 347 4.090 4.090 4.272 -0.182 17775 374 1 . 1 1 72 72 PRO CA C 347 65.860 65.860 65.747 0.113 17775 375 1 . 1 1 72 72 PRO CB C 347 31.380 31.380 31.273 0.107 17775 376 1 . 1 1 73 73 LEU N N 348 114.830 114.830 118.963 -4.133 17775 377 1 . 1 1 73 73 LEU HA H 348 3.950 3.950 3.903 0.047 17775 378 1 . 1 1 73 73 LEU C C 348 179.120 179.120 179.171 -0.051 17775 379 1 . 1 1 73 73 LEU CA C 348 58.450 58.450 58.219 0.231 17775 380 1 . 1 1 73 73 LEU CB C 348 41.320 41.320 41.511 -0.191 17775 381 1 . 1 1 73 73 LEU H H 348 6.970 6.970 7.675 -0.705 17775 382 1 . 1 1 74 74 THR N N 349 116.230 116.230 114.728 1.502 17775 383 1 . 1 1 74 74 THR HA H 349 3.880 3.880 3.903 -0.023 17775 384 1 . 1 1 74 74 THR C C 349 176.100 176.100 176.815 -0.715 17775 385 1 . 1 1 74 74 THR CA C 349 66.760 66.760 66.717 0.043 17775 386 1 . 1 1 74 74 THR CB C 349 68.770 68.770 68.365 0.405 17775 387 1 . 1 1 74 74 THR H H 349 8.090 8.090 7.929 0.161 17775 388 1 . 1 1 75 75 ARG N N 350 121.190 121.190 121.739 -0.549 17775 389 1 . 1 1 75 75 ARG HA H 350 3.970 3.970 4.033 -0.063 17775 390 1 . 1 1 75 75 ARG C C 350 180.130 180.130 178.699 1.431 17775 391 1 . 1 1 75 75 ARG CA C 350 61.030 61.030 59.464 1.566 17775 392 1 . 1 1 75 75 ARG CB C 350 31.080 31.080 29.945 1.135 17775 393 1 . 1 1 75 75 ARG H H 350 7.570 7.570 7.619 -0.049 17775 394 1 . 1 1 76 76 ILE N N 351 122.150 122.150 119.845 2.305 17775 395 1 . 1 1 76 76 ILE HA H 351 3.700 3.700 3.644 0.056 17775 396 1 . 1 1 76 76 ILE C C 351 177.070 177.070 177.805 -0.735 17775 397 1 . 1 1 76 76 ILE CA C 351 65.560 65.560 65.182 0.378 17775 398 1 . 1 1 76 76 ILE CB C 351 37.650 37.650 37.514 0.136 17775 399 1 . 1 1 76 76 ILE H H 351 8.060 8.060 7.897 0.163 17775 400 1 . 1 1 77 77 ARG N N 352 120.120 120.120 120.603 -0.483 17775 401 1 . 1 1 77 77 ARG HA H 352 3.930 3.930 4.040 -0.110 17775 402 1 . 1 1 77 77 ARG C C 352 179.580 179.580 178.951 0.629 17775 403 1 . 1 1 77 77 ARG CA C 352 59.340 59.340 59.431 -0.091 17775 404 1 . 1 1 77 77 ARG CB C 352 29.690 29.690 30.203 -0.513 17775 405 1 . 1 1 77 77 ARG H H 352 7.700 7.700 7.678 0.022 17775 406 1 . 1 1 78 78 LEU N N 353 119.970 119.970 119.068 0.902 17775 407 1 . 1 1 78 78 LEU HA H 353 4.000 4.000 4.105 -0.105 17775 408 1 . 1 1 78 78 LEU C C 353 179.600 179.600 178.885 0.715 17775 409 1 . 1 1 78 78 LEU CA C 353 57.910 57.910 57.865 0.044 17775 410 1 . 1 1 78 78 LEU CB C 353 41.430 41.430 41.795 -0.365 17775 411 1 . 1 1 78 78 LEU H H 353 8.260 8.260 7.810 0.450 17775 412 1 . 1 1 79 79 ALA N N 354 122.390 122.390 120.684 1.706 17775 413 1 . 1 1 79 79 ALA HA H 354 4.070 4.070 4.027 0.043 17775 414 1 . 1 1 79 79 ALA C C 354 180.620 180.620 179.544 1.076 17775 415 1 . 1 1 79 79 ALA CA C 354 55.270 55.270 55.011 0.259 17775 416 1 . 1 1 79 79 ALA CB C 354 18.030 18.030 18.530 -0.499 17775 417 1 . 1 1 79 79 ALA H H 354 7.850 7.850 7.883 -0.033 17775 418 1 . 1 1 80 80 THR N N 355 107.540 107.540 110.682 -3.142 17775 419 1 . 1 1 80 80 THR HA H 355 3.990 3.990 4.029 -0.039 17775 420 1 . 1 1 80 80 THR C C 355 177.250 177.250 176.428 0.822 17775 421 1 . 1 1 80 80 THR CA C 355 64.970 64.970 65.170 -0.199 17775 422 1 . 1 1 80 80 THR CB C 355 69.020 69.020 68.526 0.494 17775 423 1 . 1 1 80 80 THR H H 355 7.930 7.930 8.045 -0.115 17775 424 1 . 1 1 81 81 GLU N N 356 120.380 120.380 119.433 0.947 17775 425 1 . 1 1 81 81 GLU HA H 356 4.090 4.090 4.216 -0.126 17775 426 1 . 1 1 81 81 GLU C C 356 177.280 177.280 177.506 -0.226 17775 427 1 . 1 1 81 81 GLU CA C 356 58.020 58.020 57.921 0.099 17775 428 1 . 1 1 81 81 GLU CB C 356 29.490 29.490 29.454 0.036 17775 429 1 . 1 1 81 81 GLU H H 356 7.380 7.380 7.589 -0.209 17775 430 1 . 1 1 82 82 MET N N 357 115.510 115.510 116.638 -1.128 17775 431 1 . 1 1 82 82 MET HA H 357 4.480 4.480 4.309 0.171 17775 432 1 . 1 1 82 82 MET C C 357 176.140 176.140 176.683 -0.543 17775 433 1 . 1 1 82 82 MET CA C 357 54.810 54.810 56.003 -1.193 17775 434 1 . 1 1 82 82 MET CB C 357 32.660 32.660 33.463 -0.803 17775 435 1 . 1 1 82 82 MET H H 357 7.480 7.480 7.372 0.108 17775 436 1 . 1 1 83 83 MET N N 358 119.530 119.530 118.737 0.793 17775 437 1 . 1 1 83 83 MET HA H 358 4.020 4.020 4.290 -0.270 17775 438 1 . 1 1 83 83 MET C C 358 175.670 175.670 176.085 -0.415 17775 439 1 . 1 1 83 83 MET CA C 358 57.430 57.430 55.789 1.641 17775 440 1 . 1 1 83 83 MET CB C 358 33.860 33.860 33.094 0.766 17775 441 1 . 1 1 83 83 MET H H 358 7.010 7.010 7.418 -0.408 17775 442 1 . 1 1 84 84 SER N N 359 119.110 119.110 118.200 0.910 17775 443 1 . 1 1 84 84 SER HA H 359 4.300 4.300 4.571 -0.271 17775 444 1 . 1 1 84 84 SER C C 359 176.160 176.160 175.462 0.698 17775 445 1 . 1 1 84 84 SER CA C 359 59.170 59.170 57.645 1.525 17775 446 1 . 1 1 84 84 SER CB C 359 64.540 64.540 64.394 0.146 17775 447 1 . 1 1 84 84 SER H H 359 9.630 9.630 8.204 1.426 17775 448 1 . 1 1 85 85 GLU N N 360 124.090 124.090 121.234 2.856 17775 449 1 . 1 1 85 85 GLU CA C 360 58.880 58.880 58.994 -0.114 17775 450 1 . 1 1 85 85 GLU CB C 360 29.560 29.560 29.357 0.202 17775 451 1 . 1 1 85 85 GLU H H 360 8.810 8.810 8.988 -0.178 17775 452 1 . 1 1 86 86 GLN HA H 361 4.220 4.220 4.180 0.040 17775 453 1 . 1 1 86 86 GLN C C 361 176.370 176.370 177.083 -0.713 17775 454 1 . 1 1 86 86 GLN CA C 361 58.440 58.440 58.078 0.361 17775 455 1 . 1 1 86 86 GLN CB C 361 28.290 28.290 28.703 -0.413 17775 456 1 . 1 1 87 87 ASP N N 362 118.700 118.700 118.004 0.696 17775 457 1 . 1 1 87 87 ASP HA H 362 5.070 5.070 4.584 0.486 17775 458 1 . 1 1 87 87 ASP C C 362 176.740 176.740 176.410 0.330 17775 459 1 . 1 1 87 87 ASP CA C 362 53.710 53.710 53.071 0.639 17775 460 1 . 1 1 87 87 ASP CB C 362 40.980 40.980 40.764 0.216 17775 461 1 . 1 1 87 87 ASP H H 362 7.640 7.640 7.583 0.057 17775 462 1 . 1 1 88 88 GLY N N 363 110.410 110.410 109.081 1.329 17775 463 1 . 1 1 88 88 GLY CA C 363 47.890 47.890 47.418 0.472 17775 464 1 . 1 1 88 88 GLY H H 363 7.940 7.940 8.079 -0.139 17775 465 1 . 1 1 89 89 TYR HA H 364 4.430 4.430 4.334 0.096 17775 466 1 . 1 1 89 89 TYR C C 364 177.600 177.600 177.612 -0.012 17775 467 1 . 1 1 89 89 TYR CA C 364 59.970 59.970 59.182 0.788 17775 468 1 . 1 1 89 89 TYR CB C 364 37.100 37.100 37.080 0.020 17775 469 1 . 1 1 89 89 TYR H H 364 8.470 8.470 8.189 0.281 17775 470 1 . 1 1 90 90 LEU N N 365 124.000 124.000 119.823 4.177 17775 471 1 . 1 1 90 90 LEU HA H 365 3.920 3.920 3.967 -0.047 17775 472 1 . 1 1 90 90 LEU C C 365 178.180 178.180 178.641 -0.461 17775 473 1 . 1 1 90 90 LEU CA C 365 57.050 57.050 56.590 0.460 17775 474 1 . 1 1 90 90 LEU CB C 365 41.930 41.930 41.318 0.612 17775 475 1 . 1 1 90 90 LEU H H 365 7.080 7.080 6.897 0.183 17775 476 1 . 1 1 91 91 ALA N N 366 123.150 123.150 122.217 0.933 17775 477 1 . 1 1 91 91 ALA HA H 366 3.790 3.790 3.972 -0.181 17775 478 1 . 1 1 91 91 ALA C C 366 179.610 179.610 179.617 -0.006 17775 479 1 . 1 1 91 91 ALA CA C 366 55.910 55.910 54.821 1.089 17775 480 1 . 1 1 91 91 ALA CB C 366 18.450 18.450 18.240 0.210 17775 481 1 . 1 1 91 91 ALA H H 366 7.880 7.880 7.585 0.295 17775 482 1 . 1 1 92 92 GLU N N 367 116.750 116.750 118.239 -1.488 17775 483 1 . 1 1 92 92 GLU HA H 367 4.010 4.010 3.986 0.024 17775 484 1 . 1 1 92 92 GLU C C 367 177.910 177.910 179.083 -1.173 17775 485 1 . 1 1 92 92 GLU CA C 367 59.420 59.420 59.578 -0.159 17775 486 1 . 1 1 92 92 GLU CB C 367 29.620 29.620 29.441 0.179 17775 487 1 . 1 1 92 92 GLU H H 367 8.100 8.100 8.413 -0.313 17775 488 1 . 1 1 93 93 SER N N 368 115.480 115.480 115.329 0.152 17775 489 1 . 1 1 93 93 SER HA H 368 4.060 4.060 4.212 -0.152 17775 490 1 . 1 1 93 93 SER C C 368 176.360 176.360 176.521 -0.161 17775 491 1 . 1 1 93 93 SER CA C 368 61.610 61.610 61.677 -0.067 17775 492 1 . 1 1 93 93 SER CB C 368 63.080 63.080 62.915 0.165 17775 493 1 . 1 1 93 93 SER H H 368 7.520 7.520 7.477 0.043 17775 494 1 . 1 1 94 94 ILE N N 369 121.710 121.710 122.154 -0.444 17775 495 1 . 1 1 94 94 ILE HA H 369 4.000 4.000 3.946 0.054 17775 496 1 . 1 1 94 94 ILE C C 369 178.000 178.000 177.904 0.096 17775 497 1 . 1 1 94 94 ILE CA C 369 65.470 65.470 64.816 0.654 17775 498 1 . 1 1 94 94 ILE CB C 369 38.030 38.030 37.590 0.440 17775 499 1 . 1 1 94 94 ILE H H 369 8.400 8.400 7.455 0.945 17775 500 1 . 1 1 95 95 ASN N N 370 117.810 117.810 118.784 -0.974 17775 501 1 . 1 1 95 95 ASN HA H 370 4.290 4.290 4.389 -0.099 17775 502 1 . 1 1 95 95 ASN C C 370 179.730 179.730 177.479 2.251 17775 503 1 . 1 1 95 95 ASN CA C 370 57.340 57.340 56.616 0.724 17775 504 1 . 1 1 95 95 ASN CB C 370 38.280 38.280 38.106 0.174 17775 505 1 . 1 1 95 95 ASN H H 370 8.270 8.270 8.175 0.095 17775 506 1 . 1 1 96 96 LYS N N 371 121.220 121.220 120.496 0.724 17775 507 1 . 1 1 96 96 LYS HA H 371 4.090 4.090 4.027 0.063 17775 508 1 . 1 1 96 96 LYS C C 371 179.250 179.250 178.553 0.697 17775 509 1 . 1 1 96 96 LYS CA C 371 59.650 59.650 59.569 0.081 17775 510 1 . 1 1 96 96 LYS CB C 371 31.730 31.730 32.338 -0.608 17775 511 1 . 1 1 96 96 LYS H H 371 7.960 7.960 7.881 0.079 17775 512 1 . 1 1 97 97 ASP N N 372 122.870 122.870 119.859 3.011 17775 513 1 . 1 1 97 97 ASP HA H 372 4.060 4.060 4.436 -0.376 17775 514 1 . 1 1 97 97 ASP C C 372 179.300 179.300 178.813 0.487 17775 515 1 . 1 1 97 97 ASP CA C 372 58.400 58.400 57.418 0.982 17775 516 1 . 1 1 97 97 ASP CB C 372 41.130 41.130 40.549 0.581 17775 517 1 . 1 1 97 97 ASP H H 372 7.920 7.920 7.748 0.172 17775 518 1 . 1 1 98 98 ILE N N 373 123.090 123.090 118.791 4.299 17775 519 1 . 1 1 98 98 ILE HA H 373 3.620 3.620 3.684 -0.064 17775 520 1 . 1 1 98 98 ILE C C 373 178.330 178.330 177.774 0.556 17775 521 1 . 1 1 98 98 ILE CA C 373 65.080 65.080 65.100 -0.020 17775 522 1 . 1 1 98 98 ILE CB C 373 37.260 37.260 37.595 -0.335 17775 523 1 . 1 1 98 98 ILE H H 373 8.720 8.720 7.754 0.966 17775 524 1 . 1 1 99 99 GLU N N 374 120.550 120.550 120.415 0.135 17775 525 1 . 1 1 99 99 GLU HA H 374 4.120 4.120 3.910 0.210 17775 526 1 . 1 1 99 99 GLU C C 374 179.740 179.740 178.863 0.877 17775 527 1 . 1 1 99 99 GLU CA C 374 59.570 59.570 59.909 -0.339 17775 528 1 . 1 1 99 99 GLU CB C 374 28.910 28.910 29.308 -0.398 17775 529 1 . 1 1 99 99 GLU H H 374 8.100 8.100 7.972 0.128 17775 530 1 . 1 1 100 100 GLU N N 375 122.040 122.040 119.877 2.163 17775 531 1 . 1 1 100 100 GLU HA H 375 4.140 4.140 4.047 0.093 17775 532 1 . 1 1 100 100 GLU C C 375 178.810 178.810 178.939 -0.129 17775 533 1 . 1 1 100 100 GLU CA C 375 59.830 59.830 59.348 0.482 17775 534 1 . 1 1 100 100 GLU CB C 375 29.220 29.220 29.579 -0.359 17775 535 1 . 1 1 100 100 GLU H H 375 8.060 8.060 7.843 0.217 17775 536 1 . 1 1 101 101 CYS N N 376 117.330 117.330 117.783 -0.453 17775 537 1 . 1 1 101 101 CYS HA H 376 3.960 3.960 4.050 -0.090 17775 538 1 . 1 1 101 101 CYS C C 376 176.540 176.540 176.917 -0.377 17775 539 1 . 1 1 101 101 CYS CA C 376 64.510 64.510 64.211 0.299 17775 540 1 . 1 1 101 101 CYS CB C 376 27.270 27.270 27.253 0.017 17775 541 1 . 1 1 101 101 CYS H H 376 8.130 8.130 7.969 0.161 17775 542 1 . 1 1 102 102 ASN N N 377 117.140 117.140 118.255 -1.115 17775 543 1 . 1 1 102 102 ASN HA H 377 4.290 4.290 4.394 -0.104 17775 544 1 . 1 1 102 102 ASN C C 377 176.980 176.980 177.192 -0.212 17775 545 1 . 1 1 102 102 ASN CA C 377 56.460 56.460 56.417 0.043 17775 546 1 . 1 1 102 102 ASN CB C 377 38.440 38.440 38.298 0.142 17775 547 1 . 1 1 102 102 ASN H H 377 8.430 8.430 7.964 0.466 17775 548 1 . 1 1 103 103 ALA N N 378 123.350 123.350 123.050 0.300 17775 549 1 . 1 1 103 103 ALA HA H 378 4.130 4.130 4.062 0.068 17775 550 1 . 1 1 103 103 ALA C C 378 180.510 180.510 179.672 0.838 17775 551 1 . 1 1 103 103 ALA CA C 378 55.120 55.120 55.079 0.041 17775 552 1 . 1 1 103 103 ALA CB C 378 17.960 17.960 18.452 -0.492 17775 553 1 . 1 1 103 103 ALA H H 378 8.130 8.130 7.799 0.331 17775 554 1 . 1 1 104 104 ILE N N 379 120.880 120.880 119.217 1.663 17775 555 1 . 1 1 104 104 ILE HA H 379 3.680 3.680 3.666 0.014 17775 556 1 . 1 1 104 104 ILE C C 379 178.260 178.260 178.296 -0.036 17775 557 1 . 1 1 104 104 ILE CA C 379 64.860 64.860 65.751 -0.891 17775 558 1 . 1 1 104 104 ILE CB C 379 38.080 38.080 38.026 0.054 17775 559 1 . 1 1 104 104 ILE H H 379 8.010 8.010 7.675 0.335 17775 560 1 . 1 1 105 105 ILE N N 380 119.970 119.970 119.852 0.118 17775 561 1 . 1 1 105 105 ILE HA H 380 3.430 3.430 3.744 -0.314 17775 562 1 . 1 1 105 105 ILE C C 380 177.660 177.660 178.150 -0.490 17775 563 1 . 1 1 105 105 ILE CA C 380 65.490 65.490 65.840 -0.350 17775 564 1 . 1 1 105 105 ILE CB C 380 38.060 38.060 37.601 0.459 17775 565 1 . 1 1 105 105 ILE H H 380 8.060 8.060 7.743 0.317 17775 566 1 . 1 1 106 106 GLU N N 381 118.640 118.640 119.746 -1.106 17775 567 1 . 1 1 106 106 GLU HA H 381 3.970 3.970 3.916 0.054 17775 568 1 . 1 1 106 106 GLU C C 381 178.440 178.440 178.946 -0.506 17775 569 1 . 1 1 106 106 GLU CA C 381 59.260 59.260 59.838 -0.578 17775 570 1 . 1 1 106 106 GLU CB C 381 29.570 29.570 29.381 0.189 17775 571 1 . 1 1 106 106 GLU H H 381 8.140 8.140 8.049 0.091 17775 572 1 . 1 1 107 107 GLN N N 382 117.770 117.770 119.090 -1.320 17775 573 1 . 1 1 107 107 GLN HA H 382 4.040 4.040 4.015 0.025 17775 574 1 . 1 1 107 107 GLN C C 382 177.550 177.550 178.562 -1.012 17775 575 1 . 1 1 107 107 GLN CA C 382 58.170 58.170 58.877 -0.707 17775 576 1 . 1 1 107 107 GLN CB C 382 28.770 28.770 28.533 0.237 17775 577 1 . 1 1 107 107 GLN H H 382 7.710 7.710 7.840 -0.130 17775 578 1 . 1 1 108 108 PHE N N 383 118.750 118.750 119.107 -0.357 17775 579 1 . 1 1 108 108 PHE HA H 383 4.490 4.490 4.222 0.268 17775 580 1 . 1 1 108 108 PHE C C 383 176.570 176.570 178.089 -1.519 17775 581 1 . 1 1 108 108 PHE CA C 383 59.360 59.360 62.455 -3.095 17775 582 1 . 1 1 108 108 PHE CB C 383 38.760 38.760 38.836 -0.076 17775 583 1 . 1 1 108 108 PHE H H 383 7.880 7.880 7.811 0.069 17775 584 1 . 1 1 109 109 ILE N N 384 118.200 118.200 119.772 -1.572 17775 585 1 . 1 1 109 109 ILE HA H 384 3.720 3.720 3.797 -0.077 17775 586 1 . 1 1 109 109 ILE C C 384 177.450 177.450 177.639 -0.189 17775 587 1 . 1 1 109 109 ILE CA C 384 64.280 64.280 64.977 -0.697 17775 588 1 . 1 1 109 109 ILE CB C 384 37.870 37.870 37.874 -0.004 17775 589 1 . 1 1 109 109 ILE H H 384 7.950 7.950 7.813 0.137 17775 590 1 . 1 1 110 110 ASP N N 385 119.750 119.750 119.054 0.696 17775 591 1 . 1 1 110 110 ASP HA H 385 4.440 4.440 4.404 0.036 17775 592 1 . 1 1 110 110 ASP C C 385 177.620 177.620 178.080 -0.460 17775 593 1 . 1 1 110 110 ASP CA C 385 56.500 56.500 56.990 -0.490 17775 594 1 . 1 1 110 110 ASP CB C 385 40.860 40.860 40.922 -0.062 17775 595 1 . 1 1 110 110 ASP H H 385 7.840 7.840 7.942 -0.102 17775 596 1 . 1 1 111 111 TYR N N 386 118.370 118.370 118.940 -0.570 17775 597 1 . 1 1 111 111 TYR HA H 386 4.430 4.430 4.280 0.150 17775 598 1 . 1 1 111 111 TYR C C 386 176.320 176.320 176.549 -0.229 17775 599 1 . 1 1 111 111 TYR CA C 386 58.940 58.940 60.645 -1.705 17775 600 1 . 1 1 111 111 TYR CB C 386 38.440 38.440 39.208 -0.768 17775 601 1 . 1 1 111 111 TYR H H 386 7.760 7.760 7.800 -0.040 17775 602 1 . 1 1 112 112 LEU N N 387 119.730 119.730 119.107 0.623 17775 603 1 . 1 1 112 112 LEU HA H 387 4.230 4.230 4.408 -0.178 17775 604 1 . 1 1 112 112 LEU C C 387 175.900 175.900 176.462 -0.562 17775 605 1 . 1 1 112 112 LEU CA C 387 55.090 55.090 55.032 0.058 17775 606 1 . 1 1 112 112 LEU CB C 387 42.670 42.670 42.918 -0.248 17775 607 1 . 1 1 112 112 LEU H H 387 7.660 7.660 7.762 -0.102 17775 stop_ save_