data_5597_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 5597
_Entry.PDB_ID 1N9C
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 30
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_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.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 9 . 1 1 1 A 2 2 ASP H H 23 8.490 8.486 0.004 1
1 10 . 1 1 1 A 2 2 ASP N N 23 126.550 127.021 -0.471 1
1 11 . 1 1 1 A 2 2 ASP HA H 23 4.480 4.641 -0.161 1
1 14 . 1 1 1 A 3 3 ALA H H 24 8.280 8.815 -0.535 1
1 15 . 1 1 1 A 3 3 ALA N N 24 126.910 129.890 -2.980 1
1 16 . 1 1 1 A 3 3 ALA HA H 24 3.420 3.856 -0.436 1
1 20 . 1 1 1 A 4 4 GLU H H 25 7.590 7.556 0.034 1
1 21 . 1 1 1 A 4 4 GLU N N 25 115.030 117.187 -2.157 1
1 22 . 1 1 1 A 4 4 GLU HA H 25 2.600 2.885 -0.285 1
1 27 . 1 1 1 A 5 5 ALA H H 26 7.060 8.345 -1.285 1
1 28 . 1 1 1 A 5 5 ALA N N 26 120.430 121.527 -1.097 1
1 29 . 1 1 1 A 5 5 ALA HA H 26 3.910 3.974 -0.064 1
1 33 . 1 1 1 A 6 6 VAL H H 27 7.550 8.223 -0.673 1
1 34 . 1 1 1 A 6 6 VAL N N 27 118.870 118.309 0.561 1
1 35 . 1 1 1 A 6 6 VAL HA H 27 3.570 3.559 0.011 1
1 43 . 1 1 1 A 7 7 VAL H H 28 8.090 8.072 0.018 1
1 44 . 1 1 1 A 7 7 VAL N N 28 120.550 119.788 0.762 1
1 45 . 1 1 1 A 7 7 VAL HA H 28 4.010 3.618 0.392 1
1 53 . 1 1 1 A 8 8 GLN H H 29 7.830 8.240 -0.410 1
1 54 . 1 1 1 A 8 8 GLN N N 29 117.070 118.610 -1.540 1
1 55 . 1 1 1 A 8 8 GLN HA H 29 3.860 4.217 -0.357 1
1 63 . 1 1 1 A 9 9 GLN H H 30 7.640 8.069 -0.429 1
1 64 . 1 1 1 A 9 9 GLN N N 30 115.630 119.340 -3.710 1
1 65 . 1 1 1 A 9 9 GLN HA H 30 4.210 4.584 -0.374 1
1 73 . 1 1 1 A 10 10 LYS H H 31 8.760 8.380 0.380 1
1 74 . 1 1 1 A 10 10 LYS N N 31 113.830 118.498 -4.668 1
1 75 . 1 1 1 A 10 10 LYS HA H 31 4.860 4.496 0.364 1
1 83 . 1 1 1 A 11 11 CYS H H 32 8.770 8.235 0.535 1
1 84 . 1 1 1 A 11 11 CYS N N 32 114.980 115.985 -1.005 1
1 85 . 1 1 1 A 11 11 CYS HA H 32 6.040 4.663 1.377 1
1 88 . 1 1 1 A 12 12 ILE H H 33 6.960 8.102 -1.142 1
1 89 . 1 1 1 A 12 12 ILE N N 33 110.470 120.155 -9.685 1
1 90 . 1 1 1 A 12 12 ILE HA H 33 3.200 3.947 -0.747 1
1 97 . 1 1 1 A 13 13 SER H H 34 8.520 8.011 0.509 1
1 98 . 1 1 1 A 13 13 SER N N 34 119.350 117.624 1.726 1
1 99 . 1 1 1 A 13 13 SER HA H 34 3.870 4.096 -0.226 1
1 102 . 1 1 1 A 14 14 CYS H H 35 6.100 8.077 -1.977 1
1 103 . 1 1 1 A 14 14 CYS N N 35 114.670 117.168 -2.498 1
1 104 . 1 1 1 A 14 14 CYS HA H 35 4.370 4.571 -0.201 1
1 107 . 1 1 1 A 15 15 HIS H H 36 6.120 8.197 -2.077 1
1 108 . 1 1 1 A 15 15 HIS N N 36 112.870 116.788 -3.918 1
1 109 . 1 1 1 A 15 15 HIS HA H 36 2.580 4.417 -1.837 1
1 116 . 1 1 1 A 16 16 GLY H H 37 7.080 8.081 -1.001 1
1 117 . 1 1 1 A 16 16 GLY N N 37 106.750 107.582 -0.832 1
1 118 . 1 1 1 A 16 16 GLY HA2 H 37 3.200 3.996 -0.796 1
1 119 . 1 1 1 A 16 16 GLY HA3 H 37 3.920 4.004 -0.084 1
1 120 . 1 1 1 A 17 17 GLY H H 38 8.310 8.853 -0.543 1
1 121 . 1 1 1 A 17 17 GLY N N 38 108.070 110.134 -2.064 1
1 122 . 1 1 1 A 17 17 GLY HA2 H 38 3.440 3.885 -0.445 1
1 123 . 1 1 1 A 17 17 GLY HA3 H 38 3.670 3.888 -0.218 1
1 124 . 1 1 1 A 18 18 ASP H H 39 7.420 7.830 -0.410 1
1 125 . 1 1 1 A 18 18 ASP N N 39 115.870 120.927 -5.057 1
1 126 . 1 1 1 A 18 18 ASP HA H 39 4.460 4.800 -0.340 1
1 129 . 1 1 1 A 19 19 LEU H H 40 7.460 8.295 -0.835 1
1 130 . 1 1 1 A 19 19 LEU N N 40 109.030 116.226 -7.196 1
1 131 . 1 1 1 A 19 19 LEU HA H 40 3.150 4.032 -0.882 1
1 141 . 1 1 1 A 20 20 THR H H 41 7.390 8.180 -0.790 1
1 142 . 1 1 1 A 20 20 THR N N 41 105.670 111.379 -5.709 1
1 143 . 1 1 1 A 20 20 THR HA H 41 3.950 4.339 -0.389 1
1 148 . 1 1 1 A 21 21 GLY H H 42 7.610 7.992 -0.382 1
1 149 . 1 1 1 A 21 21 GLY N N 42 111.310 110.160 1.150 1
1 150 . 1 1 1 A 21 21 GLY HA2 H 42 2.600 4.050 -1.450 1
1 151 . 1 1 1 A 21 21 GLY HA3 H 42 3.980 4.087 -0.107 1
1 152 . 1 1 1 A 22 22 ALA H H 43 7.480 8.143 -0.663 1
1 153 . 1 1 1 A 22 22 ALA N N 43 125.590 122.668 2.922 1
1 154 . 1 1 1 A 22 22 ALA HA H 43 3.980 4.239 -0.259 1
1 158 . 1 1 1 A 23 23 SER H H 44 7.760 8.213 -0.453 1
1 159 . 1 1 1 A 23 23 SER N N 44 118.630 113.892 4.738 1
1 160 . 1 1 1 A 23 23 SER HA H 44 4.080 4.540 -0.460 1
1 163 . 1 1 1 A 24 24 ALA H H 45 7.300 7.567 -0.267 1
1 164 . 1 1 1 A 24 24 ALA N N 45 125.110 121.423 3.687 1
1 165 . 1 1 1 A 24 24 ALA HA H 45 4.170 4.777 -0.607 1
1 169 . 1 1 1 A 25 25 PRO HA H 46 3.910 4.609 -0.699 1
1 176 . 1 1 1 A 26 26 ALA H H 47 7.920 8.390 -0.470 1
1 177 . 1 1 1 A 26 26 ALA N N 47 120.310 124.421 -4.111 1
1 178 . 1 1 1 A 26 26 ALA HA H 47 3.370 4.533 -1.163 1
1 182 . 1 1 1 A 27 27 ILE H H 48 7.770 8.599 -0.829 1
1 183 . 1 1 1 A 27 27 ILE N N 48 112.150 118.941 -6.791 1
1 184 . 1 1 1 A 27 27 ILE HA H 48 4.170 4.488 -0.318 1
1 194 . 1 1 1 A 28 28 ASP H H 49 8.250 8.658 -0.408 1
1 195 . 1 1 1 A 28 28 ASP N N 49 119.980 123.324 -3.344 1
1 196 . 1 1 1 A 28 28 ASP HA H 49 3.600 4.250 -0.650 1
1 199 . 1 1 1 A 29 29 LYS H H 50 7.720 7.694 0.026 1
1 200 . 1 1 1 A 29 29 LYS N N 50 117.430 117.571 -0.141 1
1 201 . 1 1 1 A 29 29 LYS HA H 50 4.220 4.313 -0.093 1
1 209 . 1 1 1 A 30 30 ALA H H 51 7.130 8.142 -1.012 1
1 210 . 1 1 1 A 30 30 ALA N N 51 121.030 122.778 -1.748 1
1 211 . 1 1 1 A 30 30 ALA HA H 51 4.240 3.890 0.350 1
1 215 . 1 1 1 A 31 31 GLY H H 52 8.290 8.286 0.004 1
1 216 . 1 1 1 A 31 31 GLY N N 52 103.990 105.287 -1.297 1
1 217 . 1 1 1 A 31 31 GLY HA2 H 52 3.670 3.741 -0.071 1
1 218 . 1 1 1 A 31 31 GLY HA3 H 52 4.370 3.800 0.570 1
1 219 . 1 1 1 A 32 32 ALA H H 53 7.970 8.146 -0.176 1
1 220 . 1 1 1 A 32 32 ALA N N 53 120.670 124.555 -3.885 1
1 221 . 1 1 1 A 32 32 ALA HA H 53 4.160 3.943 0.217 1
1 225 . 1 1 1 A 33 33 ASN H H 54 7.490 7.730 -0.240 1
1 226 . 1 1 1 A 33 33 ASN N N 54 113.350 114.155 -0.805 1
1 227 . 1 1 1 A 33 33 ASN HA H 54 4.590 4.474 0.116 1
1 233 . 1 1 1 A 34 34 TYR H H 55 8.070 7.983 0.087 1
1 234 . 1 1 1 A 34 34 TYR N N 55 118.270 115.277 2.993 1
1 235 . 1 1 1 A 34 34 TYR HA H 55 5.020 5.222 -0.202 1
1 240 . 1 1 1 A 35 35 SER H H 56 9.110 8.997 0.113 1
1 241 . 1 1 1 A 35 35 SER N N 56 114.910 118.941 -4.031 1
1 242 . 1 1 1 A 35 35 SER HA H 56 4.560 4.716 -0.156 1
1 245 . 1 1 1 A 36 36 GLU H H 57 9.020 8.995 0.025 1
1 246 . 1 1 1 A 36 36 GLU N N 57 121.630 123.438 -1.808 1
1 247 . 1 1 1 A 36 36 GLU HA H 57 3.670 4.038 -0.368 1
1 251 . 1 1 1 A 37 37 GLU H H 58 8.680 8.295 0.385 1
1 252 . 1 1 1 A 37 37 GLU N N 58 116.230 119.315 -3.085 1
1 253 . 1 1 1 A 37 37 GLU HA H 58 3.810 4.096 -0.286 1
1 258 . 1 1 1 A 38 38 GLU H H 59 7.710 8.449 -0.739 1
1 259 . 1 1 1 A 38 38 GLU N N 59 120.070 119.999 0.071 1
1 260 . 1 1 1 A 38 38 GLU HA H 59 3.940 3.937 0.003 1
1 265 . 1 1 1 A 39 39 ILE H H 60 8.370 8.008 0.362 1
1 266 . 1 1 1 A 39 39 ILE N N 60 119.710 120.826 -1.116 1
1 267 . 1 1 1 A 39 39 ILE HA H 60 3.360 3.721 -0.361 1
1 276 . 1 1 1 A 40 40 LEU H H 61 8.380 8.562 -0.182 1
1 277 . 1 1 1 A 40 40 LEU N N 61 119.710 121.306 -1.596 1
1 278 . 1 1 1 A 40 40 LEU HA H 61 3.690 3.986 -0.296 1
1 288 . 1 1 1 A 41 41 ASP H H 62 7.410 8.515 -1.105 1
1 289 . 1 1 1 A 41 41 ASP N N 62 116.590 117.637 -1.047 1
1 290 . 1 1 1 A 41 41 ASP HA H 62 4.010 4.468 -0.458 1
1 293 . 1 1 1 A 42 42 ILE H H 63 7.240 8.165 -0.925 1
1 294 . 1 1 1 A 42 42 ILE N N 63 120.430 119.498 0.932 1
1 295 . 1 1 1 A 42 42 ILE HA H 63 2.540 3.685 -1.145 1
1 305 . 1 1 1 A 43 43 ILE H H 64 7.550 8.703 -1.153 1
1 306 . 1 1 1 A 43 43 ILE N N 64 116.230 121.478 -5.248 1
1 307 . 1 1 1 A 43 43 ILE HA H 64 2.250 3.573 -1.323 1
1 317 . 1 1 1 A 44 44 LEU H H 65 8.560 8.494 0.066 1
1 318 . 1 1 1 A 44 44 LEU N N 65 115.630 118.751 -3.121 1
1 319 . 1 1 1 A 44 44 LEU HA H 65 3.700 3.994 -0.294 1
1 329 . 1 1 1 A 45 45 ASN H H 66 8.200 8.699 -0.499 1
1 330 . 1 1 1 A 45 45 ASN N N 66 112.510 114.763 -2.253 1
1 331 . 1 1 1 A 45 45 ASN HA H 66 4.460 4.699 -0.239 1
1 337 . 1 1 1 A 46 46 GLY H H 67 7.480 7.941 -0.461 1
1 338 . 1 1 1 A 46 46 GLY N N 67 111.910 104.086 7.824 1
1 339 . 1 1 1 A 46 46 GLY HA2 H 67 2.060 4.117 -2.057 1
1 340 . 1 1 1 A 46 46 GLY HA3 H 67 3.210 4.129 -0.919 1
1 341 . 1 1 1 A 47 47 GLN H H 68 6.470 7.895 -1.425 1
1 342 . 1 1 1 A 47 47 GLN N N 68 114.550 119.334 -4.784 1
1 343 . 1 1 1 A 47 47 GLN HA H 68 3.730 4.682 -0.952 1
1 351 . 1 1 1 A 48 48 GLY H H 69 8.680 8.966 -0.286 1
1 352 . 1 1 1 A 48 48 GLY N N 69 115.150 116.428 -1.278 1
1 353 . 1 1 1 A 48 48 GLY HA2 H 69 3.440 3.861 -0.421 1
1 354 . 1 1 1 A 48 48 GLY HA3 H 69 3.740 3.865 -0.125 1
1 355 . 1 1 1 A 49 49 GLY H H 70 9.620 8.968 0.652 1
1 356 . 1 1 1 A 49 49 GLY N N 70 114.790 115.079 -0.289 1
1 357 . 1 1 1 A 49 49 GLY HA2 H 70 3.850 3.932 -0.082 1
1 358 . 1 1 1 A 49 49 GLY HA3 H 70 3.980 3.937 0.043 1
1 359 . 1 1 1 A 50 50 MET H H 71 8.100 7.912 0.188 1
1 360 . 1 1 1 A 50 50 MET N N 71 125.230 121.296 3.934 1
1 361 . 1 1 1 A 50 50 MET HA H 71 3.060 4.667 -1.607 1
1 369 . 1 1 1 A 51 51 PRO HA H 72 3.740 4.404 -0.664 1
1 373 . 1 1 1 A 52 52 GLY H H 73 7.670 8.297 -0.627 1
1 374 . 1 1 1 A 52 52 GLY N N 73 103.400 109.070 -5.670 1
1 375 . 1 1 1 A 52 52 GLY HA2 H 73 2.660 4.046 -1.386 1
1 376 . 1 1 1 A 52 52 GLY HA3 H 73 3.060 4.055 -0.995 1
1 377 . 1 1 1 A 53 53 GLY H H 74 7.530 8.980 -1.450 1
1 378 . 1 1 1 A 53 53 GLY N N 74 106.030 109.414 -3.384 1
1 379 . 1 1 1 A 53 53 GLY HA2 H 74 3.370 3.959 -0.589 1
1 380 . 1 1 1 A 53 53 GLY HA3 H 74 3.560 3.960 -0.400 1
1 381 . 1 1 1 A 54 54 ILE H H 75 9.500 8.104 1.396 1
1 382 . 1 1 1 A 54 54 ILE N N 75 124.150 119.434 4.716 1
1 383 . 1 1 1 A 54 54 ILE HA H 75 3.370 3.888 -0.518 1
1 393 . 1 1 1 A 55 55 ALA H H 76 6.620 7.529 -0.909 1
1 394 . 1 1 1 A 55 55 ALA N N 76 113.950 120.492 -6.542 1
1 395 . 1 1 1 A 55 55 ALA HA H 76 4.420 4.854 -0.434 1
1 399 . 1 1 1 A 56 56 LYS H H 77 8.420 8.527 -0.107 1
1 400 . 1 1 1 A 56 56 LYS N N 77 114.790 118.491 -3.701 1
1 401 . 1 1 1 A 56 56 LYS HA H 77 4.320 4.891 -0.571 1
1 407 . 1 1 1 A 57 57 GLY H H 78 8.420 8.745 -0.325 1
1 408 . 1 1 1 A 57 57 GLY N N 78 107.590 109.784 -2.194 1
1 409 . 1 1 1 A 57 57 GLY HA2 H 78 3.640 3.921 -0.281 1
1 410 . 1 1 1 A 57 57 GLY HA3 H 78 3.740 3.923 -0.183 1
1 411 . 1 1 1 A 58 58 ALA H H 79 8.690 8.738 -0.048 1
1 412 . 1 1 1 A 58 58 ALA N N 79 127.150 128.474 -1.324 1
1 413 . 1 1 1 A 58 58 ALA HA H 79 4.040 4.062 -0.022 1
1 417 . 1 1 1 A 59 59 GLU H H 80 8.200 7.961 0.239 1
1 418 . 1 1 1 A 59 59 GLU N N 80 117.910 118.211 -0.301 1
1 419 . 1 1 1 A 59 59 GLU HA H 80 3.890 4.047 -0.157 1
1 424 . 1 1 1 A 60 60 ALA H H 81 6.820 7.813 -0.993 1
1 425 . 1 1 1 A 60 60 ALA N N 81 120.190 121.971 -1.781 1
1 426 . 1 1 1 A 60 60 ALA HA H 81 3.520 4.110 -0.590 1
1 430 . 1 1 1 A 61 61 GLU H H 82 7.940 8.478 -0.538 1
1 431 . 1 1 1 A 61 61 GLU N N 82 114.910 118.567 -3.657 1
1 432 . 1 1 1 A 61 61 GLU HA H 82 3.730 4.049 -0.319 1
1 437 . 1 1 1 A 62 62 ALA H H 83 7.910 8.202 -0.292 1
1 438 . 1 1 1 A 62 62 ALA N N 83 120.670 121.995 -1.325 1
1 439 . 1 1 1 A 62 62 ALA HA H 83 4.190 4.139 0.051 1
1 443 . 1 1 1 A 63 63 VAL H H 84 8.130 8.450 -0.320 1
1 444 . 1 1 1 A 63 63 VAL N N 84 119.230 118.346 0.884 1
1 445 . 1 1 1 A 63 63 VAL HA H 84 3.610 3.701 -0.091 1
1 453 . 1 1 1 A 64 64 ALA H H 85 8.600 8.841 -0.241 1
1 454 . 1 1 1 A 64 64 ALA N N 85 121.750 121.323 0.427 1
1 455 . 1 1 1 A 64 64 ALA HA H 85 4.080 3.951 0.129 1
1 459 . 1 1 1 A 65 65 ALA H H 86 7.690 8.266 -0.576 1
1 460 . 1 1 1 A 65 65 ALA N N 86 117.310 118.728 -1.418 1
1 461 . 1 1 1 A 65 65 ALA HA H 86 3.860 4.059 -0.199 1
1 465 . 1 1 1 A 66 66 TRP H H 87 7.810 8.463 -0.653 1
1 466 . 1 1 1 A 66 66 TRP N N 87 119.230 121.087 -1.857 1
1 467 . 1 1 1 A 66 66 TRP HA H 87 4.180 4.249 -0.069 1
1 476 . 1 1 1 A 67 67 LEU H H 88 9.070 8.971 0.099 1
1 477 . 1 1 1 A 67 67 LEU N N 88 118.630 120.875 -2.245 1
1 478 . 1 1 1 A 67 67 LEU HA H 88 3.760 3.187 0.573 1
1 488 . 1 1 1 A 68 68 ALA H H 89 8.100 8.730 -0.630 1
1 489 . 1 1 1 A 68 68 ALA N N 89 118.030 120.635 -2.605 1
1 490 . 1 1 1 A 68 68 ALA HA H 89 3.780 3.873 -0.093 1
1 494 . 1 1 1 A 69 69 GLU H H 90 6.710 7.929 -1.219 1
1 495 . 1 1 1 A 69 69 GLU N N 90 111.670 118.726 -7.056 1
1 496 . 1 1 1 A 69 69 GLU HA H 90 4.090 4.012 0.078 1
1 501 . 1 1 1 A 70 70 LYS H H 91 7.460 7.524 -0.064 1
1 502 . 1 1 1 A 70 70 LYS N N 91 122.830 118.007 4.823 1
1 503 . 1 1 1 A 70 70 LYS HA H 91 3.980 4.047 -0.067 1
1 9 . 2 1 1 A 2 2 ASP H H 23 8.490 8.715 -0.225 1
1 10 . 2 1 1 A 2 2 ASP N N 23 126.550 128.325 -1.775 1
1 11 . 2 1 1 A 2 2 ASP HA H 23 4.480 4.941 -0.461 1
1 14 . 2 1 1 A 3 3 ALA H H 24 8.280 8.841 -0.561 1
1 15 . 2 1 1 A 3 3 ALA N N 24 126.910 127.868 -0.958 1
1 16 . 2 1 1 A 3 3 ALA HA H 24 3.420 3.846 -0.426 1
1 20 . 2 1 1 A 4 4 GLU H H 25 7.590 7.762 -0.172 1
1 21 . 2 1 1 A 4 4 GLU N N 25 115.030 115.910 -0.880 1
1 22 . 2 1 1 A 4 4 GLU HA H 25 2.600 2.578 0.022 1
1 27 . 2 1 1 A 5 5 ALA H H 26 7.060 7.559 -0.499 1
1 28 . 2 1 1 A 5 5 ALA N N 26 120.430 121.934 -1.504 1
1 29 . 2 1 1 A 5 5 ALA HA H 26 3.910 3.914 -0.004 1
1 33 . 2 1 1 A 6 6 VAL H H 27 7.550 8.151 -0.601 1
1 34 . 2 1 1 A 6 6 VAL N N 27 118.870 118.812 0.058 1
1 35 . 2 1 1 A 6 6 VAL HA H 27 3.570 3.546 0.024 1
1 43 . 2 1 1 A 7 7 VAL H H 28 8.090 7.695 0.395 1
1 44 . 2 1 1 A 7 7 VAL N N 28 120.550 119.304 1.246 1
1 45 . 2 1 1 A 7 7 VAL HA H 28 4.010 3.697 0.313 1
1 53 . 2 1 1 A 8 8 GLN H H 29 7.830 8.228 -0.398 1
1 54 . 2 1 1 A 8 8 GLN N N 29 117.070 117.827 -0.757 1
1 55 . 2 1 1 A 8 8 GLN HA H 29 3.860 4.217 -0.357 1
1 63 . 2 1 1 A 9 9 GLN H H 30 7.640 8.323 -0.683 1
1 64 . 2 1 1 A 9 9 GLN N N 30 115.630 119.870 -4.240 1
1 65 . 2 1 1 A 9 9 GLN HA H 30 4.210 4.686 -0.476 1
1 73 . 2 1 1 A 10 10 LYS H H 31 8.760 8.222 0.538 1
1 74 . 2 1 1 A 10 10 LYS N N 31 113.830 119.032 -5.202 1
1 75 . 2 1 1 A 10 10 LYS HA H 31 4.860 4.404 0.456 1
1 83 . 2 1 1 A 11 11 CYS H H 32 8.770 8.318 0.452 1
1 84 . 2 1 1 A 11 11 CYS N N 32 114.980 116.592 -1.612 1
1 85 . 2 1 1 A 11 11 CYS HA H 32 6.040 4.668 1.372 1
1 88 . 2 1 1 A 12 12 ILE H H 33 6.960 8.186 -1.226 1
1 89 . 2 1 1 A 12 12 ILE N N 33 110.470 120.248 -9.778 1
1 90 . 2 1 1 A 12 12 ILE HA H 33 3.200 3.960 -0.760 1
1 97 . 2 1 1 A 13 13 SER H H 34 8.520 8.059 0.461 1
1 98 . 2 1 1 A 13 13 SER N N 34 119.350 117.534 1.816 1
1 99 . 2 1 1 A 13 13 SER HA H 34 3.870 4.105 -0.235 1
1 102 . 2 1 1 A 14 14 CYS H H 35 6.100 8.022 -1.922 1
1 103 . 2 1 1 A 14 14 CYS N N 35 114.670 117.009 -2.339 1
1 104 . 2 1 1 A 14 14 CYS HA H 35 4.370 4.557 -0.187 1
1 107 . 2 1 1 A 15 15 HIS H H 36 6.120 8.165 -2.045 1
1 108 . 2 1 1 A 15 15 HIS N N 36 112.870 116.493 -3.623 1
1 109 . 2 1 1 A 15 15 HIS HA H 36 2.580 4.446 -1.866 1
1 116 . 2 1 1 A 16 16 GLY H H 37 7.080 8.095 -1.015 1
1 117 . 2 1 1 A 16 16 GLY N N 37 106.750 107.606 -0.856 1
1 118 . 2 1 1 A 16 16 GLY HA2 H 37 3.200 4.005 -0.805 1
1 119 . 2 1 1 A 16 16 GLY HA3 H 37 3.920 4.013 -0.093 1
1 120 . 2 1 1 A 17 17 GLY H H 38 8.310 8.865 -0.555 1
1 121 . 2 1 1 A 17 17 GLY N N 38 108.070 110.321 -2.251 1
1 122 . 2 1 1 A 17 17 GLY HA2 H 38 3.440 3.895 -0.455 1
1 123 . 2 1 1 A 17 17 GLY HA3 H 38 3.670 3.902 -0.232 1
1 124 . 2 1 1 A 18 18 ASP H H 39 7.420 7.694 -0.274 1
1 125 . 2 1 1 A 18 18 ASP N N 39 115.870 121.840 -5.970 1
1 126 . 2 1 1 A 18 18 ASP HA H 39 4.460 4.758 -0.298 1
1 129 . 2 1 1 A 19 19 LEU H H 40 7.460 8.268 -0.808 1
1 130 . 2 1 1 A 19 19 LEU N N 40 109.030 118.227 -9.197 1
1 131 . 2 1 1 A 19 19 LEU HA H 40 3.150 4.139 -0.989 1
1 141 . 2 1 1 A 20 20 THR H H 41 7.390 8.182 -0.792 1
1 142 . 2 1 1 A 20 20 THR N N 41 105.670 110.622 -4.952 1
1 143 . 2 1 1 A 20 20 THR HA H 41 3.950 4.403 -0.453 1
1 148 . 2 1 1 A 21 21 GLY H H 42 7.610 7.963 -0.353 1
1 149 . 2 1 1 A 21 21 GLY N N 42 111.310 110.079 1.231 1
1 150 . 2 1 1 A 21 21 GLY HA2 H 42 2.600 4.050 -1.450 1
1 151 . 2 1 1 A 21 21 GLY HA3 H 42 3.980 4.085 -0.105 1
1 152 . 2 1 1 A 22 22 ALA H H 43 7.480 8.164 -0.684 1
1 153 . 2 1 1 A 22 22 ALA N N 43 125.590 122.543 3.047 1
1 154 . 2 1 1 A 22 22 ALA HA H 43 3.980 4.160 -0.180 1
1 158 . 2 1 1 A 23 23 SER H H 44 7.760 8.215 -0.455 1
1 159 . 2 1 1 A 23 23 SER N N 44 118.630 112.447 6.183 1
1 160 . 2 1 1 A 23 23 SER HA H 44 4.080 4.586 -0.506 1
1 163 . 2 1 1 A 24 24 ALA H H 45 7.300 7.576 -0.276 1
1 164 . 2 1 1 A 24 24 ALA N N 45 125.110 121.617 3.493 1
1 165 . 2 1 1 A 24 24 ALA HA H 45 4.170 4.788 -0.618 1
1 169 . 2 1 1 A 25 25 PRO HA H 46 3.910 4.614 -0.704 1
1 176 . 2 1 1 A 26 26 ALA H H 47 7.920 8.410 -0.490 1
1 177 . 2 1 1 A 26 26 ALA N N 47 120.310 124.505 -4.195 1
1 178 . 2 1 1 A 26 26 ALA HA H 47 3.370 4.503 -1.133 1
1 182 . 2 1 1 A 27 27 ILE H H 48 7.770 8.273 -0.503 1
1 183 . 2 1 1 A 27 27 ILE N N 48 112.150 118.917 -6.767 1
1 184 . 2 1 1 A 27 27 ILE HA H 48 4.170 4.461 -0.291 1
1 194 . 2 1 1 A 28 28 ASP H H 49 8.250 8.128 0.122 1
1 195 . 2 1 1 A 28 28 ASP N N 49 119.980 123.415 -3.435 1
1 196 . 2 1 1 A 28 28 ASP HA H 49 3.600 4.158 -0.558 1
1 199 . 2 1 1 A 29 29 LYS H H 50 7.720 7.774 -0.054 1
1 200 . 2 1 1 A 29 29 LYS N N 50 117.430 117.579 -0.149 1
1 201 . 2 1 1 A 29 29 LYS HA H 50 4.220 4.320 -0.100 1
1 209 . 2 1 1 A 30 30 ALA H H 51 7.130 8.188 -1.058 1
1 210 . 2 1 1 A 30 30 ALA N N 51 121.030 123.135 -2.105 1
1 211 . 2 1 1 A 30 30 ALA HA H 51 4.240 4.066 0.174 1
1 215 . 2 1 1 A 31 31 GLY H H 52 8.290 8.287 0.003 1
1 216 . 2 1 1 A 31 31 GLY N N 52 103.990 106.283 -2.293 1
1 217 . 2 1 1 A 31 31 GLY HA2 H 52 3.670 3.761 -0.091 1
1 218 . 2 1 1 A 31 31 GLY HA3 H 52 4.370 3.808 0.562 1
1 219 . 2 1 1 A 32 32 ALA H H 53 7.970 8.020 -0.050 1
1 220 . 2 1 1 A 32 32 ALA N N 53 120.670 124.550 -3.880 1
1 221 . 2 1 1 A 32 32 ALA HA H 53 4.160 3.917 0.243 1
1 225 . 2 1 1 A 33 33 ASN H H 54 7.490 7.910 -0.420 1
1 226 . 2 1 1 A 33 33 ASN N N 54 113.350 113.896 -0.546 1
1 227 . 2 1 1 A 33 33 ASN HA H 54 4.590 4.436 0.154 1
1 233 . 2 1 1 A 34 34 TYR H H 55 8.070 7.854 0.216 1
1 234 . 2 1 1 A 34 34 TYR N N 55 118.270 115.516 2.754 1
1 235 . 2 1 1 A 34 34 TYR HA H 55 5.020 5.326 -0.306 1
1 240 . 2 1 1 A 35 35 SER H H 56 9.110 9.572 -0.462 1
1 241 . 2 1 1 A 35 35 SER N N 56 114.910 118.734 -3.824 1
1 242 . 2 1 1 A 35 35 SER HA H 56 4.560 4.773 -0.213 1
1 245 . 2 1 1 A 36 36 GLU H H 57 9.020 9.061 -0.041 1
1 246 . 2 1 1 A 36 36 GLU N N 57 121.630 123.516 -1.886 1
1 247 . 2 1 1 A 36 36 GLU HA H 57 3.670 4.055 -0.385 1
1 251 . 2 1 1 A 37 37 GLU H H 58 8.680 8.342 0.338 1
1 252 . 2 1 1 A 37 37 GLU N N 58 116.230 119.420 -3.190 1
1 253 . 2 1 1 A 37 37 GLU HA H 58 3.810 4.109 -0.299 1
1 258 . 2 1 1 A 38 38 GLU H H 59 7.710 8.362 -0.652 1
1 259 . 2 1 1 A 38 38 GLU N N 59 120.070 119.554 0.516 1
1 260 . 2 1 1 A 38 38 GLU HA H 59 3.940 4.039 -0.099 1
1 265 . 2 1 1 A 39 39 ILE H H 60 8.370 7.983 0.387 1
1 266 . 2 1 1 A 39 39 ILE N N 60 119.710 120.972 -1.262 1
1 267 . 2 1 1 A 39 39 ILE HA H 60 3.360 3.632 -0.272 1
1 276 . 2 1 1 A 40 40 LEU H H 61 8.380 8.594 -0.214 1
1 277 . 2 1 1 A 40 40 LEU N N 61 119.710 121.330 -1.620 1
1 278 . 2 1 1 A 40 40 LEU HA H 61 3.690 3.962 -0.272 1
1 288 . 2 1 1 A 41 41 ASP H H 62 7.410 8.237 -0.827 1
1 289 . 2 1 1 A 41 41 ASP N N 62 116.590 118.311 -1.721 1
1 290 . 2 1 1 A 41 41 ASP HA H 62 4.010 4.249 -0.239 1
1 293 . 2 1 1 A 42 42 ILE H H 63 7.240 8.246 -1.006 1
1 294 . 2 1 1 A 42 42 ILE N N 63 120.430 118.614 1.816 1
1 295 . 2 1 1 A 42 42 ILE HA H 63 2.540 3.656 -1.116 1
1 305 . 2 1 1 A 43 43 ILE H H 64 7.550 8.649 -1.099 1
1 306 . 2 1 1 A 43 43 ILE N N 64 116.230 121.577 -5.347 1
1 307 . 2 1 1 A 43 43 ILE HA H 64 2.250 3.535 -1.285 1
1 317 . 2 1 1 A 44 44 LEU H H 65 8.560 8.476 0.084 1
1 318 . 2 1 1 A 44 44 LEU N N 65 115.630 118.163 -2.533 1
1 319 . 2 1 1 A 44 44 LEU HA H 65 3.700 3.980 -0.280 1
1 329 . 2 1 1 A 45 45 ASN H H 66 8.200 8.678 -0.478 1
1 330 . 2 1 1 A 45 45 ASN N N 66 112.510 114.881 -2.371 1
1 331 . 2 1 1 A 45 45 ASN HA H 66 4.460 4.689 -0.229 1
1 337 . 2 1 1 A 46 46 GLY H H 67 7.480 7.718 -0.238 1
1 338 . 2 1 1 A 46 46 GLY N N 67 111.910 103.765 8.145 1
1 339 . 2 1 1 A 46 46 GLY HA2 H 67 2.060 4.089 -2.029 1
1 340 . 2 1 1 A 46 46 GLY HA3 H 67 3.210 4.098 -0.888 1
1 341 . 2 1 1 A 47 47 GLN H H 68 6.470 8.064 -1.594 1
1 342 . 2 1 1 A 47 47 GLN N N 68 114.550 119.494 -4.944 1
1 343 . 2 1 1 A 47 47 GLN HA H 68 3.730 4.812 -1.082 1
1 351 . 2 1 1 A 48 48 GLY H H 69 8.680 8.788 -0.108 1
1 352 . 2 1 1 A 48 48 GLY N N 69 115.150 112.218 2.932 1
1 353 . 2 1 1 A 48 48 GLY HA2 H 69 3.440 3.781 -0.341 1
1 354 . 2 1 1 A 48 48 GLY HA3 H 69 3.740 3.783 -0.043 1
1 355 . 2 1 1 A 49 49 GLY H H 70 9.620 8.156 1.464 1
1 356 . 2 1 1 A 49 49 GLY N N 70 114.790 108.796 5.994 1
1 357 . 2 1 1 A 49 49 GLY HA2 H 70 3.850 3.917 -0.067 1
1 358 . 2 1 1 A 49 49 GLY HA3 H 70 3.980 3.921 0.059 1
1 359 . 2 1 1 A 50 50 MET H H 71 8.100 7.975 0.125 1
1 360 . 2 1 1 A 50 50 MET N N 71 125.230 119.905 5.325 1
1 361 . 2 1 1 A 50 50 MET HA H 71 3.060 4.795 -1.735 1
1 369 . 2 1 1 A 51 51 PRO HA H 72 3.740 4.409 -0.669 1
1 373 . 2 1 1 A 52 52 GLY H H 73 7.670 8.293 -0.623 1
1 374 . 2 1 1 A 52 52 GLY N N 73 103.400 109.083 -5.683 1
1 375 . 2 1 1 A 52 52 GLY HA2 H 73 2.660 4.041 -1.381 1
1 376 . 2 1 1 A 52 52 GLY HA3 H 73 3.060 4.049 -0.989 1
1 377 . 2 1 1 A 53 53 GLY H H 74 7.530 8.994 -1.464 1
1 378 . 2 1 1 A 53 53 GLY N N 74 106.030 109.326 -3.296 1
1 379 . 2 1 1 A 53 53 GLY HA2 H 74 3.370 3.938 -0.568 1
1 380 . 2 1 1 A 53 53 GLY HA3 H 74 3.560 3.939 -0.379 1
1 381 . 2 1 1 A 54 54 ILE H H 75 9.500 8.139 1.361 1
1 382 . 2 1 1 A 54 54 ILE N N 75 124.150 118.864 5.286 1
1 383 . 2 1 1 A 54 54 ILE HA H 75 3.370 3.937 -0.567 1
1 393 . 2 1 1 A 55 55 ALA H H 76 6.620 7.588 -0.968 1
1 394 . 2 1 1 A 55 55 ALA N N 76 113.950 120.813 -6.863 1
1 395 . 2 1 1 A 55 55 ALA HA H 76 4.420 5.093 -0.673 1
1 399 . 2 1 1 A 56 56 LYS H H 77 8.420 8.991 -0.571 1
1 400 . 2 1 1 A 56 56 LYS N N 77 114.790 120.015 -5.225 1
1 401 . 2 1 1 A 56 56 LYS HA H 77 4.320 4.874 -0.554 1
1 407 . 2 1 1 A 57 57 GLY H H 78 8.420 8.756 -0.336 1
1 408 . 2 1 1 A 57 57 GLY N N 78 107.590 110.079 -2.489 1
1 409 . 2 1 1 A 57 57 GLY HA2 H 78 3.640 3.917 -0.277 1
1 410 . 2 1 1 A 57 57 GLY HA3 H 78 3.740 3.919 -0.179 1
1 411 . 2 1 1 A 58 58 ALA H H 79 8.690 8.728 -0.038 1
1 412 . 2 1 1 A 58 58 ALA N N 79 127.150 128.443 -1.293 1
1 413 . 2 1 1 A 58 58 ALA HA H 79 4.040 4.048 -0.008 1
1 417 . 2 1 1 A 59 59 GLU H H 80 8.200 8.104 0.096 1
1 418 . 2 1 1 A 59 59 GLU N N 80 117.910 117.968 -0.058 1
1 419 . 2 1 1 A 59 59 GLU HA H 80 3.890 3.989 -0.099 1
1 424 . 2 1 1 A 60 60 ALA H H 81 6.820 7.962 -1.142 1
1 425 . 2 1 1 A 60 60 ALA N N 81 120.190 121.171 -0.981 1
1 426 . 2 1 1 A 60 60 ALA HA H 81 3.520 4.090 -0.570 1
1 430 . 2 1 1 A 61 61 GLU H H 82 7.940 8.440 -0.500 1
1 431 . 2 1 1 A 61 61 GLU N N 82 114.910 118.366 -3.456 1
1 432 . 2 1 1 A 61 61 GLU HA H 82 3.730 4.069 -0.339 1
1 437 . 2 1 1 A 62 62 ALA H H 83 7.910 8.308 -0.398 1
1 438 . 2 1 1 A 62 62 ALA N N 83 120.670 122.496 -1.826 1
1 439 . 2 1 1 A 62 62 ALA HA H 83 4.190 4.126 0.064 1
1 443 . 2 1 1 A 63 63 VAL H H 84 8.130 8.260 -0.130 1
1 444 . 2 1 1 A 63 63 VAL N N 84 119.230 118.030 1.200 1
1 445 . 2 1 1 A 63 63 VAL HA H 84 3.610 3.792 -0.182 1
1 453 . 2 1 1 A 64 64 ALA H H 85 8.600 8.857 -0.257 1
1 454 . 2 1 1 A 64 64 ALA N N 85 121.750 121.656 0.094 1
1 455 . 2 1 1 A 64 64 ALA HA H 85 4.080 3.966 0.114 1
1 459 . 2 1 1 A 65 65 ALA H H 86 7.690 8.312 -0.622 1
1 460 . 2 1 1 A 65 65 ALA N N 86 117.310 118.824 -1.514 1
1 461 . 2 1 1 A 65 65 ALA HA H 86 3.860 4.038 -0.178 1
1 465 . 2 1 1 A 66 66 TRP H H 87 7.810 8.220 -0.410 1
1 466 . 2 1 1 A 66 66 TRP N N 87 119.230 120.855 -1.625 1
1 467 . 2 1 1 A 66 66 TRP HA H 87 4.180 4.233 -0.053 1
1 476 . 2 1 1 A 67 67 LEU H H 88 9.070 8.694 0.376 1
1 477 . 2 1 1 A 67 67 LEU N N 88 118.630 120.066 -1.436 1
1 478 . 2 1 1 A 67 67 LEU HA H 88 3.760 3.417 0.343 1
1 488 . 2 1 1 A 68 68 ALA H H 89 8.100 8.482 -0.382 1
1 489 . 2 1 1 A 68 68 ALA N N 89 118.030 121.661 -3.631 1
1 490 . 2 1 1 A 68 68 ALA HA H 89 3.780 3.897 -0.117 1
1 494 . 2 1 1 A 69 69 GLU H H 90 6.710 7.826 -1.116 1
1 495 . 2 1 1 A 69 69 GLU N N 90 111.670 117.496 -5.826 1
1 496 . 2 1 1 A 69 69 GLU HA H 90 4.090 3.981 0.109 1
1 501 . 2 1 1 A 70 70 LYS H H 91 7.460 7.421 0.039 1
1 502 . 2 1 1 A 70 70 LYS N N 91 122.830 118.486 4.344 1
1 503 . 2 1 1 A 70 70 LYS HA H 91 3.980 3.847 0.133 1
1 9 . 3 1 1 A 2 2 ASP H H 23 8.490 8.460 0.030 1
1 10 . 3 1 1 A 2 2 ASP N N 23 126.550 127.760 -1.210 1
1 11 . 3 1 1 A 2 2 ASP HA H 23 4.480 4.649 -0.169 1
1 14 . 3 1 1 A 3 3 ALA H H 24 8.280 8.778 -0.498 1
1 15 . 3 1 1 A 3 3 ALA N N 24 126.910 129.371 -2.461 1
1 16 . 3 1 1 A 3 3 ALA HA H 24 3.420 3.855 -0.435 1
1 20 . 3 1 1 A 4 4 GLU H H 25 7.590 7.544 0.046 1
1 21 . 3 1 1 A 4 4 GLU N N 25 115.030 117.158 -2.128 1
1 22 . 3 1 1 A 4 4 GLU HA H 25 2.600 2.355 0.245 1
1 27 . 3 1 1 A 5 5 ALA H H 26 7.060 8.295 -1.235 1
1 28 . 3 1 1 A 5 5 ALA N N 26 120.430 121.962 -1.532 1
1 29 . 3 1 1 A 5 5 ALA HA H 26 3.910 3.973 -0.063 1
1 33 . 3 1 1 A 6 6 VAL H H 27 7.550 8.174 -0.624 1
1 34 . 3 1 1 A 6 6 VAL N N 27 118.870 118.217 0.653 1
1 35 . 3 1 1 A 6 6 VAL HA H 27 3.570 3.586 -0.016 1
1 43 . 3 1 1 A 7 7 VAL H H 28 8.090 8.033 0.057 1
1 44 . 3 1 1 A 7 7 VAL N N 28 120.550 119.661 0.889 1
1 45 . 3 1 1 A 7 7 VAL HA H 28 4.010 3.776 0.234 1
1 53 . 3 1 1 A 8 8 GLN H H 29 7.830 8.469 -0.639 1
1 54 . 3 1 1 A 8 8 GLN N N 29 117.070 119.068 -1.998 1
1 55 . 3 1 1 A 8 8 GLN HA H 29 3.860 4.260 -0.400 1
1 63 . 3 1 1 A 9 9 GLN H H 30 7.640 8.105 -0.465 1
1 64 . 3 1 1 A 9 9 GLN N N 30 115.630 117.939 -2.309 1
1 65 . 3 1 1 A 9 9 GLN HA H 30 4.210 4.593 -0.383 1
1 73 . 3 1 1 A 10 10 LYS H H 31 8.760 8.438 0.322 1
1 74 . 3 1 1 A 10 10 LYS N N 31 113.830 117.847 -4.017 1
1 75 . 3 1 1 A 10 10 LYS HA H 31 4.860 4.545 0.315 1
1 83 . 3 1 1 A 11 11 CYS H H 32 8.770 8.330 0.440 1
1 84 . 3 1 1 A 11 11 CYS N N 32 114.980 115.999 -1.019 1
1 85 . 3 1 1 A 11 11 CYS HA H 32 6.040 4.672 1.368 1
1 88 . 3 1 1 A 12 12 ILE H H 33 6.960 8.150 -1.190 1
1 89 . 3 1 1 A 12 12 ILE N N 33 110.470 120.202 -9.732 1
1 90 . 3 1 1 A 12 12 ILE HA H 33 3.200 3.960 -0.760 1
1 97 . 3 1 1 A 13 13 SER H H 34 8.520 8.326 0.194 1
1 98 . 3 1 1 A 13 13 SER N N 34 119.350 116.629 2.721 1
1 99 . 3 1 1 A 13 13 SER HA H 34 3.870 4.030 -0.160 1
1 102 . 3 1 1 A 14 14 CYS H H 35 6.100 8.042 -1.942 1
1 103 . 3 1 1 A 14 14 CYS N N 35 114.670 117.732 -3.062 1
1 104 . 3 1 1 A 14 14 CYS HA H 35 4.370 4.547 -0.177 1
1 107 . 3 1 1 A 15 15 HIS H H 36 6.120 8.231 -2.111 1
1 108 . 3 1 1 A 15 15 HIS N N 36 112.870 116.463 -3.593 1
1 109 . 3 1 1 A 15 15 HIS HA H 36 2.580 4.514 -1.934 1
1 116 . 3 1 1 A 16 16 GLY H H 37 7.080 8.129 -1.049 1
1 117 . 3 1 1 A 16 16 GLY N N 37 106.750 107.703 -0.953 1
1 118 . 3 1 1 A 16 16 GLY HA2 H 37 3.200 3.993 -0.793 1
1 119 . 3 1 1 A 16 16 GLY HA3 H 37 3.920 4.000 -0.080 1
1 120 . 3 1 1 A 17 17 GLY H H 38 8.310 8.822 -0.512 1
1 121 . 3 1 1 A 17 17 GLY N N 38 108.070 110.349 -2.279 1
1 122 . 3 1 1 A 17 17 GLY HA2 H 38 3.440 3.887 -0.447 1
1 123 . 3 1 1 A 17 17 GLY HA3 H 38 3.670 3.895 -0.225 1
1 124 . 3 1 1 A 18 18 ASP H H 39 7.420 7.795 -0.375 1
1 125 . 3 1 1 A 18 18 ASP N N 39 115.870 121.106 -5.236 1
1 126 . 3 1 1 A 18 18 ASP HA H 39 4.460 4.778 -0.318 1
1 129 . 3 1 1 A 19 19 LEU H H 40 7.460 8.257 -0.797 1
1 130 . 3 1 1 A 19 19 LEU N N 40 109.030 116.500 -7.470 1
1 131 . 3 1 1 A 19 19 LEU HA H 40 3.150 4.137 -0.987 1
1 141 . 3 1 1 A 20 20 THR H H 41 7.390 8.178 -0.788 1
1 142 . 3 1 1 A 20 20 THR N N 41 105.670 111.005 -5.335 1
1 143 . 3 1 1 A 20 20 THR HA H 41 3.950 4.324 -0.374 1
1 148 . 3 1 1 A 21 21 GLY H H 42 7.610 8.163 -0.553 1
1 149 . 3 1 1 A 21 21 GLY N N 42 111.310 110.189 1.121 1
1 150 . 3 1 1 A 21 21 GLY HA2 H 42 2.600 4.068 -1.468 1
1 151 . 3 1 1 A 21 21 GLY HA3 H 42 3.980 4.103 -0.123 1
1 152 . 3 1 1 A 22 22 ALA H H 43 7.480 8.140 -0.660 1
1 153 . 3 1 1 A 22 22 ALA N N 43 125.590 123.474 2.116 1
1 154 . 3 1 1 A 22 22 ALA HA H 43 3.980 4.355 -0.375 1
1 158 . 3 1 1 A 23 23 SER H H 44 7.760 8.235 -0.475 1
1 159 . 3 1 1 A 23 23 SER N N 44 118.630 113.894 4.736 1
1 160 . 3 1 1 A 23 23 SER HA H 44 4.080 4.540 -0.460 1
1 163 . 3 1 1 A 24 24 ALA H H 45 7.300 7.554 -0.254 1
1 164 . 3 1 1 A 24 24 ALA N N 45 125.110 121.427 3.683 1
1 165 . 3 1 1 A 24 24 ALA HA H 45 4.170 4.736 -0.566 1
1 169 . 3 1 1 A 25 25 PRO HA H 46 3.910 4.642 -0.732 1
1 176 . 3 1 1 A 26 26 ALA H H 47 7.920 8.394 -0.474 1
1 177 . 3 1 1 A 26 26 ALA N N 47 120.310 124.680 -4.370 1
1 178 . 3 1 1 A 26 26 ALA HA H 47 3.370 4.464 -1.094 1
1 182 . 3 1 1 A 27 27 ILE H H 48 7.770 8.580 -0.810 1
1 183 . 3 1 1 A 27 27 ILE N N 48 112.150 119.014 -6.864 1
1 184 . 3 1 1 A 27 27 ILE HA H 48 4.170 4.578 -0.408 1
1 194 . 3 1 1 A 28 28 ASP H H 49 8.250 8.495 -0.245 1
1 195 . 3 1 1 A 28 28 ASP N N 49 119.980 123.700 -3.720 1
1 196 . 3 1 1 A 28 28 ASP HA H 49 3.600 4.260 -0.660 1
1 199 . 3 1 1 A 29 29 LYS H H 50 7.720 7.727 -0.007 1
1 200 . 3 1 1 A 29 29 LYS N N 50 117.430 116.957 0.473 1
1 201 . 3 1 1 A 29 29 LYS HA H 50 4.220 4.269 -0.049 1
1 209 . 3 1 1 A 30 30 ALA H H 51 7.130 8.048 -0.918 1
1 210 . 3 1 1 A 30 30 ALA N N 51 121.030 123.083 -2.053 1
1 211 . 3 1 1 A 30 30 ALA HA H 51 4.240 3.787 0.453 1
1 215 . 3 1 1 A 31 31 GLY H H 52 8.290 8.263 0.027 1
1 216 . 3 1 1 A 31 31 GLY N N 52 103.990 105.370 -1.380 1
1 217 . 3 1 1 A 31 31 GLY HA2 H 52 3.670 3.734 -0.064 1
1 218 . 3 1 1 A 31 31 GLY HA3 H 52 4.370 3.781 0.589 1
1 219 . 3 1 1 A 32 32 ALA H H 53 7.970 7.901 0.069 1
1 220 . 3 1 1 A 32 32 ALA N N 53 120.670 124.710 -4.040 1
1 221 . 3 1 1 A 32 32 ALA HA H 53 4.160 3.892 0.268 1
1 225 . 3 1 1 A 33 33 ASN H H 54 7.490 7.826 -0.336 1
1 226 . 3 1 1 A 33 33 ASN N N 54 113.350 115.008 -1.658 1
1 227 . 3 1 1 A 33 33 ASN HA H 54 4.590 4.442 0.148 1
1 233 . 3 1 1 A 34 34 TYR H H 55 8.070 7.957 0.113 1
1 234 . 3 1 1 A 34 34 TYR N N 55 118.270 115.702 2.568 1
1 235 . 3 1 1 A 34 34 TYR HA H 55 5.020 5.125 -0.105 1
1 240 . 3 1 1 A 35 35 SER H H 56 9.110 8.952 0.158 1
1 241 . 3 1 1 A 35 35 SER N N 56 114.910 116.664 -1.754 1
1 242 . 3 1 1 A 35 35 SER HA H 56 4.560 4.918 -0.358 1
1 245 . 3 1 1 A 36 36 GLU H H 57 9.020 9.253 -0.233 1
1 246 . 3 1 1 A 36 36 GLU N N 57 121.630 123.146 -1.516 1
1 247 . 3 1 1 A 36 36 GLU HA H 57 3.670 4.028 -0.358 1
1 251 . 3 1 1 A 37 37 GLU H H 58 8.680 8.254 0.426 1
1 252 . 3 1 1 A 37 37 GLU N N 58 116.230 118.835 -2.605 1
1 253 . 3 1 1 A 37 37 GLU HA H 58 3.810 4.096 -0.286 1
1 258 . 3 1 1 A 38 38 GLU H H 59 7.710 8.201 -0.491 1
1 259 . 3 1 1 A 38 38 GLU N N 59 120.070 119.432 0.638 1
1 260 . 3 1 1 A 38 38 GLU HA H 59 3.940 3.996 -0.056 1
1 265 . 3 1 1 A 39 39 ILE H H 60 8.370 8.239 0.131 1
1 266 . 3 1 1 A 39 39 ILE N N 60 119.710 121.148 -1.438 1
1 267 . 3 1 1 A 39 39 ILE HA H 60 3.360 3.641 -0.281 1
1 276 . 3 1 1 A 40 40 LEU H H 61 8.380 8.603 -0.223 1
1 277 . 3 1 1 A 40 40 LEU N N 61 119.710 121.290 -1.580 1
1 278 . 3 1 1 A 40 40 LEU HA H 61 3.690 3.982 -0.292 1
1 288 . 3 1 1 A 41 41 ASP H H 62 7.410 8.516 -1.106 1
1 289 . 3 1 1 A 41 41 ASP N N 62 116.590 117.789 -1.199 1
1 290 . 3 1 1 A 41 41 ASP HA H 62 4.010 4.307 -0.297 1
1 293 . 3 1 1 A 42 42 ILE H H 63 7.240 8.344 -1.104 1
1 294 . 3 1 1 A 42 42 ILE N N 63 120.430 118.919 1.511 1
1 295 . 3 1 1 A 42 42 ILE HA H 63 2.540 3.741 -1.201 1
1 305 . 3 1 1 A 43 43 ILE H H 64 7.550 8.633 -1.083 1
1 306 . 3 1 1 A 43 43 ILE N N 64 116.230 120.775 -4.545 1
1 307 . 3 1 1 A 43 43 ILE HA H 64 2.250 3.563 -1.313 1
1 317 . 3 1 1 A 44 44 LEU H H 65 8.560 8.600 -0.040 1
1 318 . 3 1 1 A 44 44 LEU N N 65 115.630 118.328 -2.698 1
1 319 . 3 1 1 A 44 44 LEU HA H 65 3.700 3.963 -0.263 1
1 329 . 3 1 1 A 45 45 ASN H H 66 8.200 8.688 -0.488 1
1 330 . 3 1 1 A 45 45 ASN N N 66 112.510 114.893 -2.383 1
1 331 . 3 1 1 A 45 45 ASN HA H 66 4.460 4.676 -0.216 1
1 337 . 3 1 1 A 46 46 GLY H H 67 7.480 7.848 -0.368 1
1 338 . 3 1 1 A 46 46 GLY N N 67 111.910 103.900 8.010 1
1 339 . 3 1 1 A 46 46 GLY HA2 H 67 2.060 4.113 -2.053 1
1 340 . 3 1 1 A 46 46 GLY HA3 H 67 3.210 4.122 -0.912 1
1 341 . 3 1 1 A 47 47 GLN H H 68 6.470 7.986 -1.516 1
1 342 . 3 1 1 A 47 47 GLN N N 68 114.550 119.564 -5.014 1
1 343 . 3 1 1 A 47 47 GLN HA H 68 3.730 4.749 -1.019 1
1 351 . 3 1 1 A 48 48 GLY H H 69 8.680 8.759 -0.079 1
1 352 . 3 1 1 A 48 48 GLY N N 69 115.150 112.333 2.817 1
1 353 . 3 1 1 A 48 48 GLY HA2 H 69 3.440 3.761 -0.321 1
1 354 . 3 1 1 A 48 48 GLY HA3 H 69 3.740 3.762 -0.022 1
1 355 . 3 1 1 A 49 49 GLY H H 70 9.620 8.384 1.236 1
1 356 . 3 1 1 A 49 49 GLY N N 70 114.790 110.291 4.499 1
1 357 . 3 1 1 A 49 49 GLY HA2 H 70 3.850 3.942 -0.092 1
1 358 . 3 1 1 A 49 49 GLY HA3 H 70 3.980 3.947 0.033 1
1 359 . 3 1 1 A 50 50 MET H H 71 8.100 8.288 -0.188 1
1 360 . 3 1 1 A 50 50 MET N N 71 125.230 121.231 3.999 1
1 361 . 3 1 1 A 50 50 MET HA H 71 3.060 4.740 -1.680 1
1 369 . 3 1 1 A 51 51 PRO HA H 72 3.740 4.401 -0.661 1
1 373 . 3 1 1 A 52 52 GLY H H 73 7.670 8.201 -0.531 1
1 374 . 3 1 1 A 52 52 GLY N N 73 103.400 109.061 -5.661 1
1 375 . 3 1 1 A 52 52 GLY HA2 H 73 2.660 4.042 -1.382 1
1 376 . 3 1 1 A 52 52 GLY HA3 H 73 3.060 4.050 -0.990 1
1 377 . 3 1 1 A 53 53 GLY H H 74 7.530 8.965 -1.435 1
1 378 . 3 1 1 A 53 53 GLY N N 74 106.030 109.347 -3.317 1
1 379 . 3 1 1 A 53 53 GLY HA2 H 74 3.370 3.933 -0.563 1
1 380 . 3 1 1 A 53 53 GLY HA3 H 74 3.560 3.934 -0.374 1
1 381 . 3 1 1 A 54 54 ILE H H 75 9.500 8.128 1.372 1
1 382 . 3 1 1 A 54 54 ILE N N 75 124.150 119.098 5.052 1
1 383 . 3 1 1 A 54 54 ILE HA H 75 3.370 3.927 -0.557 1
1 393 . 3 1 1 A 55 55 ALA H H 76 6.620 7.563 -0.943 1
1 394 . 3 1 1 A 55 55 ALA N N 76 113.950 120.429 -6.479 1
1 395 . 3 1 1 A 55 55 ALA HA H 76 4.420 5.117 -0.697 1
1 399 . 3 1 1 A 56 56 LYS H H 77 8.420 8.693 -0.273 1
1 400 . 3 1 1 A 56 56 LYS N N 77 114.790 118.129 -3.339 1
1 401 . 3 1 1 A 56 56 LYS HA H 77 4.320 4.892 -0.572 1
1 407 . 3 1 1 A 57 57 GLY H H 78 8.420 8.728 -0.308 1
1 408 . 3 1 1 A 57 57 GLY N N 78 107.590 109.553 -1.963 1
1 409 . 3 1 1 A 57 57 GLY HA2 H 78 3.640 3.919 -0.279 1
1 410 . 3 1 1 A 57 57 GLY HA3 H 78 3.740 3.921 -0.181 1
1 411 . 3 1 1 A 58 58 ALA H H 79 8.690 8.700 -0.010 1
1 412 . 3 1 1 A 58 58 ALA N N 79 127.150 128.317 -1.167 1
1 413 . 3 1 1 A 58 58 ALA HA H 79 4.040 4.047 -0.007 1
1 417 . 3 1 1 A 59 59 GLU H H 80 8.200 8.112 0.088 1
1 418 . 3 1 1 A 59 59 GLU N N 80 117.910 117.990 -0.080 1
1 419 . 3 1 1 A 59 59 GLU HA H 80 3.890 3.999 -0.109 1
1 424 . 3 1 1 A 60 60 ALA H H 81 6.820 7.864 -1.044 1
1 425 . 3 1 1 A 60 60 ALA N N 81 120.190 120.858 -0.668 1
1 426 . 3 1 1 A 60 60 ALA HA H 81 3.520 4.118 -0.598 1
1 430 . 3 1 1 A 61 61 GLU H H 82 7.940 8.505 -0.565 1
1 431 . 3 1 1 A 61 61 GLU N N 82 114.910 118.596 -3.686 1
1 432 . 3 1 1 A 61 61 GLU HA H 82 3.730 4.070 -0.340 1
1 437 . 3 1 1 A 62 62 ALA H H 83 7.910 8.216 -0.306 1
1 438 . 3 1 1 A 62 62 ALA N N 83 120.670 122.410 -1.740 1
1 439 . 3 1 1 A 62 62 ALA HA H 83 4.190 4.136 0.054 1
1 443 . 3 1 1 A 63 63 VAL H H 84 8.130 8.374 -0.244 1
1 444 . 3 1 1 A 63 63 VAL N N 84 119.230 118.232 0.998 1
1 445 . 3 1 1 A 63 63 VAL HA H 84 3.610 3.758 -0.148 1
1 453 . 3 1 1 A 64 64 ALA H H 85 8.600 8.878 -0.278 1
1 454 . 3 1 1 A 64 64 ALA N N 85 121.750 121.312 0.438 1
1 455 . 3 1 1 A 64 64 ALA HA H 85 4.080 3.961 0.119 1
1 459 . 3 1 1 A 65 65 ALA H H 86 7.690 8.322 -0.632 1
1 460 . 3 1 1 A 65 65 ALA N N 86 117.310 118.813 -1.503 1
1 461 . 3 1 1 A 65 65 ALA HA H 86 3.860 4.050 -0.190 1
1 465 . 3 1 1 A 66 66 TRP H H 87 7.810 8.453 -0.643 1
1 466 . 3 1 1 A 66 66 TRP N N 87 119.230 120.827 -1.597 1
1 467 . 3 1 1 A 66 66 TRP HA H 87 4.180 4.247 -0.067 1
1 476 . 3 1 1 A 67 67 LEU H H 88 9.070 8.910 0.160 1
1 477 . 3 1 1 A 67 67 LEU N N 88 118.630 121.367 -2.737 1
1 478 . 3 1 1 A 67 67 LEU HA H 88 3.760 3.519 0.241 1
1 488 . 3 1 1 A 68 68 ALA H H 89 8.100 8.833 -0.733 1
1 489 . 3 1 1 A 68 68 ALA N N 89 118.030 121.191 -3.161 1
1 490 . 3 1 1 A 68 68 ALA HA H 89 3.780 3.878 -0.098 1
1 494 . 3 1 1 A 69 69 GLU H H 90 6.710 8.112 -1.402 1
1 495 . 3 1 1 A 69 69 GLU N N 90 111.670 118.485 -6.815 1
1 496 . 3 1 1 A 69 69 GLU HA H 90 4.090 4.018 0.072 1
1 501 . 3 1 1 A 70 70 LYS H H 91 7.460 7.805 -0.345 1
1 502 . 3 1 1 A 70 70 LYS N N 91 122.830 119.294 3.536 1
1 503 . 3 1 1 A 70 70 LYS HA H 91 3.980 3.847 0.133 1
1 9 . 4 1 1 A 2 2 ASP H H 23 8.490 8.795 -0.305 1
1 10 . 4 1 1 A 2 2 ASP N N 23 126.550 127.982 -1.432 1
1 11 . 4 1 1 A 2 2 ASP HA H 23 4.480 4.561 -0.081 1
1 14 . 4 1 1 A 3 3 ALA H H 24 8.280 8.635 -0.355 1
1 15 . 4 1 1 A 3 3 ALA N N 24 126.910 128.215 -1.305 1
1 16 . 4 1 1 A 3 3 ALA HA H 24 3.420 3.836 -0.416 1
1 20 . 4 1 1 A 4 4 GLU H H 25 7.590 7.533 0.057 1
1 21 . 4 1 1 A 4 4 GLU N N 25 115.030 116.311 -1.281 1
1 22 . 4 1 1 A 4 4 GLU HA H 25 2.600 2.230 0.370 1
1 27 . 4 1 1 A 5 5 ALA H H 26 7.060 7.454 -0.394 1
1 28 . 4 1 1 A 5 5 ALA N N 26 120.430 122.016 -1.586 1
1 29 . 4 1 1 A 5 5 ALA HA H 26 3.910 3.919 -0.009 1
1 33 . 4 1 1 A 6 6 VAL H H 27 7.550 8.092 -0.542 1
1 34 . 4 1 1 A 6 6 VAL N N 27 118.870 118.234 0.636 1
1 35 . 4 1 1 A 6 6 VAL HA H 27 3.570 3.574 -0.004 1
1 43 . 4 1 1 A 7 7 VAL H H 28 8.090 7.988 0.102 1
1 44 . 4 1 1 A 7 7 VAL N N 28 120.550 119.575 0.975 1
1 45 . 4 1 1 A 7 7 VAL HA H 28 4.010 3.786 0.224 1
1 53 . 4 1 1 A 8 8 GLN H H 29 7.830 8.388 -0.558 1
1 54 . 4 1 1 A 8 8 GLN N N 29 117.070 118.519 -1.449 1
1 55 . 4 1 1 A 8 8 GLN HA H 29 3.860 4.250 -0.390 1
1 63 . 4 1 1 A 9 9 GLN H H 30 7.640 8.231 -0.591 1
1 64 . 4 1 1 A 9 9 GLN N N 30 115.630 119.385 -3.755 1
1 65 . 4 1 1 A 9 9 GLN HA H 30 4.210 4.610 -0.400 1
1 73 . 4 1 1 A 10 10 LYS H H 31 8.760 8.563 0.197 1
1 74 . 4 1 1 A 10 10 LYS N N 31 113.830 117.577 -3.747 1
1 75 . 4 1 1 A 10 10 LYS HA H 31 4.860 4.443 0.417 1
1 83 . 4 1 1 A 11 11 CYS H H 32 8.770 8.219 0.551 1
1 84 . 4 1 1 A 11 11 CYS N N 32 114.980 116.136 -1.156 1
1 85 . 4 1 1 A 11 11 CYS HA H 32 6.040 4.691 1.349 1
1 88 . 4 1 1 A 12 12 ILE H H 33 6.960 8.236 -1.276 1
1 89 . 4 1 1 A 12 12 ILE N N 33 110.470 120.281 -9.811 1
1 90 . 4 1 1 A 12 12 ILE HA H 33 3.200 3.962 -0.762 1
1 97 . 4 1 1 A 13 13 SER H H 34 8.520 7.995 0.525 1
1 98 . 4 1 1 A 13 13 SER N N 34 119.350 117.692 1.658 1
1 99 . 4 1 1 A 13 13 SER HA H 34 3.870 4.118 -0.248 1
1 102 . 4 1 1 A 14 14 CYS H H 35 6.100 8.053 -1.953 1
1 103 . 4 1 1 A 14 14 CYS N N 35 114.670 117.023 -2.353 1
1 104 . 4 1 1 A 14 14 CYS HA H 35 4.370 4.559 -0.189 1
1 107 . 4 1 1 A 15 15 HIS H H 36 6.120 8.162 -2.042 1
1 108 . 4 1 1 A 15 15 HIS N N 36 112.870 116.469 -3.599 1
1 109 . 4 1 1 A 15 15 HIS HA H 36 2.580 4.499 -1.919 1
1 116 . 4 1 1 A 16 16 GLY H H 37 7.080 8.136 -1.056 1
1 117 . 4 1 1 A 16 16 GLY N N 37 106.750 107.688 -0.938 1
1 118 . 4 1 1 A 16 16 GLY HA2 H 37 3.200 3.995 -0.795 1
1 119 . 4 1 1 A 16 16 GLY HA3 H 37 3.920 4.002 -0.082 1
1 120 . 4 1 1 A 17 17 GLY H H 38 8.310 8.853 -0.543 1
1 121 . 4 1 1 A 17 17 GLY N N 38 108.070 110.486 -2.416 1
1 122 . 4 1 1 A 17 17 GLY HA2 H 38 3.440 3.892 -0.452 1
1 123 . 4 1 1 A 17 17 GLY HA3 H 38 3.670 3.900 -0.230 1
1 124 . 4 1 1 A 18 18 ASP H H 39 7.420 7.804 -0.384 1
1 125 . 4 1 1 A 18 18 ASP N N 39 115.870 120.948 -5.078 1
1 126 . 4 1 1 A 18 18 ASP HA H 39 4.460 4.788 -0.328 1
1 129 . 4 1 1 A 19 19 LEU H H 40 7.460 8.284 -0.824 1
1 130 . 4 1 1 A 19 19 LEU N N 40 109.030 116.390 -7.360 1
1 131 . 4 1 1 A 19 19 LEU HA H 40 3.150 4.132 -0.982 1
1 141 . 4 1 1 A 20 20 THR H H 41 7.390 8.179 -0.789 1
1 142 . 4 1 1 A 20 20 THR N N 41 105.670 110.985 -5.315 1
1 143 . 4 1 1 A 20 20 THR HA H 41 3.950 4.340 -0.390 1
1 148 . 4 1 1 A 21 21 GLY H H 42 7.610 8.129 -0.519 1
1 149 . 4 1 1 A 21 21 GLY N N 42 111.310 110.117 1.193 1
1 150 . 4 1 1 A 21 21 GLY HA2 H 42 2.600 4.042 -1.442 1
1 151 . 4 1 1 A 21 21 GLY HA3 H 42 3.980 4.076 -0.096 1
1 152 . 4 1 1 A 22 22 ALA H H 43 7.480 7.965 -0.485 1
1 153 . 4 1 1 A 22 22 ALA N N 43 125.590 122.806 2.784 1
1 154 . 4 1 1 A 22 22 ALA HA H 43 3.980 4.237 -0.257 1
1 158 . 4 1 1 A 23 23 SER H H 44 7.760 8.181 -0.421 1
1 159 . 4 1 1 A 23 23 SER N N 44 118.630 113.587 5.043 1
1 160 . 4 1 1 A 23 23 SER HA H 44 4.080 4.562 -0.482 1
1 163 . 4 1 1 A 24 24 ALA H H 45 7.300 7.581 -0.281 1
1 164 . 4 1 1 A 24 24 ALA N N 45 125.110 121.629 3.481 1
1 165 . 4 1 1 A 24 24 ALA HA H 45 4.170 4.747 -0.577 1
1 169 . 4 1 1 A 25 25 PRO HA H 46 3.910 4.636 -0.726 1
1 176 . 4 1 1 A 26 26 ALA H H 47 7.920 8.369 -0.449 1
1 177 . 4 1 1 A 26 26 ALA N N 47 120.310 124.763 -4.453 1
1 178 . 4 1 1 A 26 26 ALA HA H 47 3.370 4.434 -1.064 1
1 182 . 4 1 1 A 27 27 ILE H H 48 7.770 8.611 -0.841 1
1 183 . 4 1 1 A 27 27 ILE N N 48 112.150 118.899 -6.749 1
1 184 . 4 1 1 A 27 27 ILE HA H 48 4.170 4.585 -0.415 1
1 194 . 4 1 1 A 28 28 ASP H H 49 8.250 8.578 -0.328 1
1 195 . 4 1 1 A 28 28 ASP N N 49 119.980 123.898 -3.918 1
1 196 . 4 1 1 A 28 28 ASP HA H 49 3.600 4.222 -0.622 1
1 199 . 4 1 1 A 29 29 LYS H H 50 7.720 7.709 0.011 1
1 200 . 4 1 1 A 29 29 LYS N N 50 117.430 117.175 0.255 1
1 201 . 4 1 1 A 29 29 LYS HA H 50 4.220 4.328 -0.108 1
1 209 . 4 1 1 A 30 30 ALA H H 51 7.130 8.227 -1.097 1
1 210 . 4 1 1 A 30 30 ALA N N 51 121.030 122.987 -1.957 1
1 211 . 4 1 1 A 30 30 ALA HA H 51 4.240 4.039 0.201 1
1 215 . 4 1 1 A 31 31 GLY H H 52 8.290 8.317 -0.027 1
1 216 . 4 1 1 A 31 31 GLY N N 52 103.990 105.317 -1.327 1
1 217 . 4 1 1 A 31 31 GLY HA2 H 52 3.670 3.756 -0.086 1
1 218 . 4 1 1 A 31 31 GLY HA3 H 52 4.370 3.807 0.563 1
1 219 . 4 1 1 A 32 32 ALA H H 53 7.970 7.957 0.013 1
1 220 . 4 1 1 A 32 32 ALA N N 53 120.670 124.678 -4.008 1
1 221 . 4 1 1 A 32 32 ALA HA H 53 4.160 3.934 0.226 1
1 225 . 4 1 1 A 33 33 ASN H H 54 7.490 7.924 -0.434 1
1 226 . 4 1 1 A 33 33 ASN N N 54 113.350 113.778 -0.428 1
1 227 . 4 1 1 A 33 33 ASN HA H 54 4.590 4.444 0.146 1
1 233 . 4 1 1 A 34 34 TYR H H 55 8.070 7.878 0.192 1
1 234 . 4 1 1 A 34 34 TYR N N 55 118.270 115.541 2.729 1
1 235 . 4 1 1 A 34 34 TYR HA H 55 5.020 5.243 -0.223 1
1 240 . 4 1 1 A 35 35 SER H H 56 9.110 8.987 0.123 1
1 241 . 4 1 1 A 35 35 SER N N 56 114.910 119.227 -4.317 1
1 242 . 4 1 1 A 35 35 SER HA H 56 4.560 4.663 -0.103 1
1 245 . 4 1 1 A 36 36 GLU H H 57 9.020 9.056 -0.036 1
1 246 . 4 1 1 A 36 36 GLU N N 57 121.630 123.518 -1.888 1
1 247 . 4 1 1 A 36 36 GLU HA H 57 3.670 4.051 -0.381 1
1 251 . 4 1 1 A 37 37 GLU H H 58 8.680 8.277 0.403 1
1 252 . 4 1 1 A 37 37 GLU N N 58 116.230 119.407 -3.177 1
1 253 . 4 1 1 A 37 37 GLU HA H 58 3.810 4.101 -0.291 1
1 258 . 4 1 1 A 38 38 GLU H H 59 7.710 8.189 -0.479 1
1 259 . 4 1 1 A 38 38 GLU N N 59 120.070 119.896 0.174 1
1 260 . 4 1 1 A 38 38 GLU HA H 59 3.940 3.964 -0.024 1
1 265 . 4 1 1 A 39 39 ILE H H 60 8.370 7.946 0.424 1
1 266 . 4 1 1 A 39 39 ILE N N 60 119.710 120.769 -1.059 1
1 267 . 4 1 1 A 39 39 ILE HA H 60 3.360 3.643 -0.283 1
1 276 . 4 1 1 A 40 40 LEU H H 61 8.380 8.547 -0.167 1
1 277 . 4 1 1 A 40 40 LEU N N 61 119.710 121.350 -1.640 1
1 278 . 4 1 1 A 40 40 LEU HA H 61 3.690 3.974 -0.284 1
1 288 . 4 1 1 A 41 41 ASP H H 62 7.410 8.529 -1.119 1
1 289 . 4 1 1 A 41 41 ASP N N 62 116.590 117.635 -1.045 1
1 290 . 4 1 1 A 41 41 ASP HA H 62 4.010 4.362 -0.352 1
1 293 . 4 1 1 A 42 42 ILE H H 63 7.240 8.267 -1.027 1
1 294 . 4 1 1 A 42 42 ILE N N 63 120.430 119.264 1.166 1
1 295 . 4 1 1 A 42 42 ILE HA H 63 2.540 3.697 -1.157 1
1 305 . 4 1 1 A 43 43 ILE H H 64 7.550 8.564 -1.014 1
1 306 . 4 1 1 A 43 43 ILE N N 64 116.230 121.149 -4.919 1
1 307 . 4 1 1 A 43 43 ILE HA H 64 2.250 3.545 -1.295 1
1 317 . 4 1 1 A 44 44 LEU H H 65 8.560 8.614 -0.054 1
1 318 . 4 1 1 A 44 44 LEU N N 65 115.630 118.299 -2.669 1
1 319 . 4 1 1 A 44 44 LEU HA H 65 3.700 4.058 -0.358 1
1 329 . 4 1 1 A 45 45 ASN H H 66 8.200 8.639 -0.439 1
1 330 . 4 1 1 A 45 45 ASN N N 66 112.510 115.205 -2.695 1
1 331 . 4 1 1 A 45 45 ASN HA H 66 4.460 4.777 -0.317 1
1 337 . 4 1 1 A 46 46 GLY H H 67 7.480 7.774 -0.294 1
1 338 . 4 1 1 A 46 46 GLY N N 67 111.910 103.798 8.112 1
1 339 . 4 1 1 A 46 46 GLY HA2 H 67 2.060 4.084 -2.024 1
1 340 . 4 1 1 A 46 46 GLY HA3 H 67 3.210 4.092 -0.882 1
1 341 . 4 1 1 A 47 47 GLN H H 68 6.470 7.890 -1.420 1
1 342 . 4 1 1 A 47 47 GLN N N 68 114.550 119.623 -5.073 1
1 343 . 4 1 1 A 47 47 GLN HA H 68 3.730 4.862 -1.132 1
1 351 . 4 1 1 A 48 48 GLY H H 69 8.680 8.869 -0.189 1
1 352 . 4 1 1 A 48 48 GLY N N 69 115.150 112.052 3.098 1
1 353 . 4 1 1 A 48 48 GLY HA2 H 69 3.440 3.776 -0.336 1
1 354 . 4 1 1 A 48 48 GLY HA3 H 69 3.740 3.777 -0.037 1
1 355 . 4 1 1 A 49 49 GLY H H 70 9.620 8.096 1.524 1
1 356 . 4 1 1 A 49 49 GLY N N 70 114.790 108.594 6.196 1
1 357 . 4 1 1 A 49 49 GLY HA2 H 70 3.850 3.938 -0.088 1
1 358 . 4 1 1 A 49 49 GLY HA3 H 70 3.980 3.943 0.037 1
1 359 . 4 1 1 A 50 50 MET H H 71 8.100 8.031 0.069 1
1 360 . 4 1 1 A 50 50 MET N N 71 125.230 120.887 4.343 1
1 361 . 4 1 1 A 50 50 MET HA H 71 3.060 4.743 -1.683 1
1 369 . 4 1 1 A 51 51 PRO HA H 72 3.740 4.401 -0.661 1
1 373 . 4 1 1 A 52 52 GLY H H 73 7.670 8.162 -0.492 1
1 374 . 4 1 1 A 52 52 GLY N N 73 103.400 108.846 -5.446 1
1 375 . 4 1 1 A 52 52 GLY HA2 H 73 2.660 4.056 -1.396 1
1 376 . 4 1 1 A 52 52 GLY HA3 H 73 3.060 4.063 -1.003 1
1 377 . 4 1 1 A 53 53 GLY H H 74 7.530 8.942 -1.412 1
1 378 . 4 1 1 A 53 53 GLY N N 74 106.030 109.714 -3.684 1
1 379 . 4 1 1 A 53 53 GLY HA2 H 74 3.370 3.954 -0.584 1
1 380 . 4 1 1 A 53 53 GLY HA3 H 74 3.560 3.955 -0.395 1
1 381 . 4 1 1 A 54 54 ILE H H 75 9.500 8.086 1.414 1
1 382 . 4 1 1 A 54 54 ILE N N 75 124.150 119.527 4.623 1
1 383 . 4 1 1 A 54 54 ILE HA H 75 3.370 3.865 -0.495 1
1 393 . 4 1 1 A 55 55 ALA H H 76 6.620 7.562 -0.942 1
1 394 . 4 1 1 A 55 55 ALA N N 76 113.950 120.675 -6.725 1
1 395 . 4 1 1 A 55 55 ALA HA H 76 4.420 5.204 -0.784 1
1 399 . 4 1 1 A 56 56 LYS H H 77 8.420 8.851 -0.431 1
1 400 . 4 1 1 A 56 56 LYS N N 77 114.790 120.207 -5.417 1
1 401 . 4 1 1 A 56 56 LYS HA H 77 4.320 4.800 -0.480 1
1 407 . 4 1 1 A 57 57 GLY H H 78 8.420 8.748 -0.328 1
1 408 . 4 1 1 A 57 57 GLY N N 78 107.590 110.061 -2.471 1
1 409 . 4 1 1 A 57 57 GLY HA2 H 78 3.640 3.915 -0.275 1
1 410 . 4 1 1 A 57 57 GLY HA3 H 78 3.740 3.917 -0.177 1
1 411 . 4 1 1 A 58 58 ALA H H 79 8.690 8.722 -0.032 1
1 412 . 4 1 1 A 58 58 ALA N N 79 127.150 128.425 -1.275 1
1 413 . 4 1 1 A 58 58 ALA HA H 79 4.040 4.044 -0.004 1
1 417 . 4 1 1 A 59 59 GLU H H 80 8.200 8.051 0.149 1
1 418 . 4 1 1 A 59 59 GLU N N 80 117.910 118.112 -0.202 1
1 419 . 4 1 1 A 59 59 GLU HA H 80 3.890 3.993 -0.103 1
1 424 . 4 1 1 A 60 60 ALA H H 81 6.820 7.883 -1.063 1
1 425 . 4 1 1 A 60 60 ALA N N 81 120.190 120.842 -0.652 1
1 426 . 4 1 1 A 60 60 ALA HA H 81 3.520 4.119 -0.599 1
1 430 . 4 1 1 A 61 61 GLU H H 82 7.940 8.368 -0.428 1
1 431 . 4 1 1 A 61 61 GLU N N 82 114.910 118.563 -3.653 1
1 432 . 4 1 1 A 61 61 GLU HA H 82 3.730 4.042 -0.312 1
1 437 . 4 1 1 A 62 62 ALA H H 83 7.910 8.253 -0.343 1
1 438 . 4 1 1 A 62 62 ALA N N 83 120.670 122.378 -1.708 1
1 439 . 4 1 1 A 62 62 ALA HA H 83 4.190 4.132 0.058 1
1 443 . 4 1 1 A 63 63 VAL H H 84 8.130 8.327 -0.197 1
1 444 . 4 1 1 A 63 63 VAL N N 84 119.230 118.202 1.028 1
1 445 . 4 1 1 A 63 63 VAL HA H 84 3.610 3.741 -0.131 1
1 453 . 4 1 1 A 64 64 ALA H H 85 8.600 8.862 -0.262 1
1 454 . 4 1 1 A 64 64 ALA N N 85 121.750 121.347 0.403 1
1 455 . 4 1 1 A 64 64 ALA HA H 85 4.080 3.956 0.124 1
1 459 . 4 1 1 A 65 65 ALA H H 86 7.690 8.307 -0.617 1
1 460 . 4 1 1 A 65 65 ALA N N 86 117.310 118.809 -1.499 1
1 461 . 4 1 1 A 65 65 ALA HA H 86 3.860 4.050 -0.190 1
1 465 . 4 1 1 A 66 66 TRP H H 87 7.810 8.344 -0.534 1
1 466 . 4 1 1 A 66 66 TRP N N 87 119.230 120.785 -1.555 1
1 467 . 4 1 1 A 66 66 TRP HA H 87 4.180 4.213 -0.033 1
1 476 . 4 1 1 A 67 67 LEU H H 88 9.070 8.915 0.155 1
1 477 . 4 1 1 A 67 67 LEU N N 88 118.630 121.348 -2.718 1
1 478 . 4 1 1 A 67 67 LEU HA H 88 3.760 3.680 0.080 1
1 488 . 4 1 1 A 68 68 ALA H H 89 8.100 8.715 -0.615 1
1 489 . 4 1 1 A 68 68 ALA N N 89 118.030 120.892 -2.862 1
1 490 . 4 1 1 A 68 68 ALA HA H 89 3.780 3.909 -0.129 1
1 494 . 4 1 1 A 69 69 GLU H H 90 6.710 7.915 -1.205 1
1 495 . 4 1 1 A 69 69 GLU N N 90 111.670 117.562 -5.892 1
1 496 . 4 1 1 A 69 69 GLU HA H 90 4.090 4.021 0.069 1
1 501 . 4 1 1 A 70 70 LYS H H 91 7.460 7.333 0.127 1
1 502 . 4 1 1 A 70 70 LYS N N 91 122.830 117.919 4.911 1
1 503 . 4 1 1 A 70 70 LYS HA H 91 3.980 4.027 -0.047 1
1 9 . 5 1 1 A 2 2 ASP H H 23 8.490 8.660 -0.170 1
1 10 . 5 1 1 A 2 2 ASP N N 23 126.550 126.579 -0.029 1
1 11 . 5 1 1 A 2 2 ASP HA H 23 4.480 4.495 -0.015 1
1 14 . 5 1 1 A 3 3 ALA H H 24 8.280 8.212 0.068 1
1 15 . 5 1 1 A 3 3 ALA N N 24 126.910 128.305 -1.395 1
1 16 . 5 1 1 A 3 3 ALA HA H 24 3.420 3.782 -0.362 1
1 20 . 5 1 1 A 4 4 GLU H H 25 7.590 7.387 0.203 1
1 21 . 5 1 1 A 4 4 GLU N N 25 115.030 116.867 -1.837 1
1 22 . 5 1 1 A 4 4 GLU HA H 25 2.600 2.483 0.117 1
1 27 . 5 1 1 A 5 5 ALA H H 26 7.060 7.418 -0.358 1
1 28 . 5 1 1 A 5 5 ALA N N 26 120.430 121.722 -1.292 1
1 29 . 5 1 1 A 5 5 ALA HA H 26 3.910 3.915 -0.005 1
1 33 . 5 1 1 A 6 6 VAL H H 27 7.550 7.874 -0.324 1
1 34 . 5 1 1 A 6 6 VAL N N 27 118.870 118.478 0.392 1
1 35 . 5 1 1 A 6 6 VAL HA H 27 3.570 3.559 0.011 1
1 43 . 5 1 1 A 7 7 VAL H H 28 8.090 8.353 -0.263 1
1 44 . 5 1 1 A 7 7 VAL N N 28 120.550 119.339 1.211 1
1 45 . 5 1 1 A 7 7 VAL HA H 28 4.010 3.611 0.399 1
1 53 . 5 1 1 A 8 8 GLN H H 29 7.830 8.287 -0.457 1
1 54 . 5 1 1 A 8 8 GLN N N 29 117.070 119.153 -2.083 1
1 55 . 5 1 1 A 8 8 GLN HA H 29 3.860 4.253 -0.393 1
1 63 . 5 1 1 A 9 9 GLN H H 30 7.640 8.199 -0.559 1
1 64 . 5 1 1 A 9 9 GLN N N 30 115.630 118.850 -3.220 1
1 65 . 5 1 1 A 9 9 GLN HA H 30 4.210 4.616 -0.406 1
1 73 . 5 1 1 A 10 10 LYS H H 31 8.760 7.741 1.019 1
1 74 . 5 1 1 A 10 10 LYS N N 31 113.830 118.913 -5.083 1
1 75 . 5 1 1 A 10 10 LYS HA H 31 4.860 4.419 0.441 1
1 83 . 5 1 1 A 11 11 CYS H H 32 8.770 8.337 0.433 1
1 84 . 5 1 1 A 11 11 CYS N N 32 114.980 116.902 -1.922 1
1 85 . 5 1 1 A 11 11 CYS HA H 32 6.040 4.556 1.484 1
1 88 . 5 1 1 A 12 12 ILE H H 33 6.960 8.246 -1.286 1
1 89 . 5 1 1 A 12 12 ILE N N 33 110.470 119.903 -9.433 1
1 90 . 5 1 1 A 12 12 ILE HA H 33 3.200 3.939 -0.739 1
1 97 . 5 1 1 A 13 13 SER H H 34 8.520 8.174 0.346 1
1 98 . 5 1 1 A 13 13 SER N N 34 119.350 116.639 2.711 1
1 99 . 5 1 1 A 13 13 SER HA H 34 3.870 4.103 -0.233 1
1 102 . 5 1 1 A 14 14 CYS H H 35 6.100 8.086 -1.986 1
1 103 . 5 1 1 A 14 14 CYS N N 35 114.670 117.816 -3.146 1
1 104 . 5 1 1 A 14 14 CYS HA H 35 4.370 4.557 -0.187 1
1 107 . 5 1 1 A 15 15 HIS H H 36 6.120 8.229 -2.109 1
1 108 . 5 1 1 A 15 15 HIS N N 36 112.870 116.489 -3.619 1
1 109 . 5 1 1 A 15 15 HIS HA H 36 2.580 4.468 -1.888 1
1 116 . 5 1 1 A 16 16 GLY H H 37 7.080 8.089 -1.009 1
1 117 . 5 1 1 A 16 16 GLY N N 37 106.750 107.594 -0.844 1
1 118 . 5 1 1 A 16 16 GLY HA2 H 37 3.200 3.995 -0.795 1
1 119 . 5 1 1 A 16 16 GLY HA3 H 37 3.920 4.000 -0.080 1
1 120 . 5 1 1 A 17 17 GLY H H 38 8.310 8.871 -0.561 1
1 121 . 5 1 1 A 17 17 GLY N N 38 108.070 110.360 -2.290 1
1 122 . 5 1 1 A 17 17 GLY HA2 H 38 3.440 3.890 -0.450 1
1 123 . 5 1 1 A 17 17 GLY HA3 H 38 3.670 3.901 -0.231 1
1 124 . 5 1 1 A 18 18 ASP H H 39 7.420 7.802 -0.382 1
1 125 . 5 1 1 A 18 18 ASP N N 39 115.870 121.215 -5.345 1
1 126 . 5 1 1 A 18 18 ASP HA H 39 4.460 4.682 -0.222 1
1 129 . 5 1 1 A 19 19 LEU H H 40 7.460 8.175 -0.715 1
1 130 . 5 1 1 A 19 19 LEU N N 40 109.030 116.203 -7.173 1
1 131 . 5 1 1 A 19 19 LEU HA H 40 3.150 4.151 -1.001 1
1 141 . 5 1 1 A 20 20 THR H H 41 7.390 8.174 -0.784 1
1 142 . 5 1 1 A 20 20 THR N N 41 105.670 111.370 -5.700 1
1 143 . 5 1 1 A 20 20 THR HA H 41 3.950 4.317 -0.367 1
1 148 . 5 1 1 A 21 21 GLY H H 42 7.610 8.072 -0.462 1
1 149 . 5 1 1 A 21 21 GLY N N 42 111.310 110.212 1.098 1
1 150 . 5 1 1 A 21 21 GLY HA2 H 42 2.600 4.059 -1.459 1
1 151 . 5 1 1 A 21 21 GLY HA3 H 42 3.980 4.097 -0.117 1
1 152 . 5 1 1 A 22 22 ALA H H 43 7.480 8.064 -0.584 1
1 153 . 5 1 1 A 22 22 ALA N N 43 125.590 123.135 2.455 1
1 154 . 5 1 1 A 22 22 ALA HA H 43 3.980 4.260 -0.280 1
1 158 . 5 1 1 A 23 23 SER H H 44 7.760 8.301 -0.541 1
1 159 . 5 1 1 A 23 23 SER N N 44 118.630 112.147 6.483 1
1 160 . 5 1 1 A 23 23 SER HA H 44 4.080 4.451 -0.371 1
1 163 . 5 1 1 A 24 24 ALA H H 45 7.300 7.572 -0.272 1
1 164 . 5 1 1 A 24 24 ALA N N 45 125.110 121.243 3.867 1
1 165 . 5 1 1 A 24 24 ALA HA H 45 4.170 4.790 -0.620 1
1 169 . 5 1 1 A 25 25 PRO HA H 46 3.910 4.633 -0.723 1
1 176 . 5 1 1 A 26 26 ALA H H 47 7.920 8.383 -0.463 1
1 177 . 5 1 1 A 26 26 ALA N N 47 120.310 124.404 -4.094 1
1 178 . 5 1 1 A 26 26 ALA HA H 47 3.370 4.506 -1.136 1
1 182 . 5 1 1 A 27 27 ILE H H 48 7.770 8.585 -0.815 1
1 183 . 5 1 1 A 27 27 ILE N N 48 112.150 118.935 -6.785 1
1 184 . 5 1 1 A 27 27 ILE HA H 48 4.170 4.535 -0.365 1
1 194 . 5 1 1 A 28 28 ASP H H 49 8.250 8.560 -0.310 1
1 195 . 5 1 1 A 28 28 ASP N N 49 119.980 123.888 -3.908 1
1 196 . 5 1 1 A 28 28 ASP HA H 49 3.600 4.214 -0.614 1
1 199 . 5 1 1 A 29 29 LYS H H 50 7.720 7.785 -0.065 1
1 200 . 5 1 1 A 29 29 LYS N N 50 117.430 117.070 0.360 1
1 201 . 5 1 1 A 29 29 LYS HA H 50 4.220 4.279 -0.059 1
1 209 . 5 1 1 A 30 30 ALA H H 51 7.130 8.182 -1.052 1
1 210 . 5 1 1 A 30 30 ALA N N 51 121.030 122.897 -1.867 1
1 211 . 5 1 1 A 30 30 ALA HA H 51 4.240 3.900 0.340 1
1 215 . 5 1 1 A 31 31 GLY H H 52 8.290 8.273 0.017 1
1 216 . 5 1 1 A 31 31 GLY N N 52 103.990 105.368 -1.378 1
1 217 . 5 1 1 A 31 31 GLY HA2 H 52 3.670 3.762 -0.092 1
1 218 . 5 1 1 A 31 31 GLY HA3 H 52 4.370 3.806 0.564 1
1 219 . 5 1 1 A 32 32 ALA H H 53 7.970 7.995 -0.025 1
1 220 . 5 1 1 A 32 32 ALA N N 53 120.670 124.731 -4.061 1
1 221 . 5 1 1 A 32 32 ALA HA H 53 4.160 3.942 0.218 1
1 225 . 5 1 1 A 33 33 ASN H H 54 7.490 8.090 -0.600 1
1 226 . 5 1 1 A 33 33 ASN N N 54 113.350 114.819 -1.469 1
1 227 . 5 1 1 A 33 33 ASN HA H 54 4.590 4.432 0.158 1
1 233 . 5 1 1 A 34 34 TYR H H 55 8.070 7.997 0.073 1
1 234 . 5 1 1 A 34 34 TYR N N 55 118.270 115.730 2.540 1
1 235 . 5 1 1 A 34 34 TYR HA H 55 5.020 5.079 -0.059 1
1 240 . 5 1 1 A 35 35 SER H H 56 9.110 8.848 0.262 1
1 241 . 5 1 1 A 35 35 SER N N 56 114.910 116.635 -1.725 1
1 242 . 5 1 1 A 35 35 SER HA H 56 4.560 4.825 -0.265 1
1 245 . 5 1 1 A 36 36 GLU H H 57 9.020 9.194 -0.174 1
1 246 . 5 1 1 A 36 36 GLU N N 57 121.630 123.160 -1.530 1
1 247 . 5 1 1 A 36 36 GLU HA H 57 3.670 4.053 -0.383 1
1 251 . 5 1 1 A 37 37 GLU H H 58 8.680 8.288 0.392 1
1 252 . 5 1 1 A 37 37 GLU N N 58 116.230 119.297 -3.067 1
1 253 . 5 1 1 A 37 37 GLU HA H 58 3.810 4.098 -0.288 1
1 258 . 5 1 1 A 38 38 GLU H H 59 7.710 8.420 -0.710 1
1 259 . 5 1 1 A 38 38 GLU N N 59 120.070 119.982 0.088 1
1 260 . 5 1 1 A 38 38 GLU HA H 59 3.940 3.930 0.010 1
1 265 . 5 1 1 A 39 39 ILE H H 60 8.370 8.014 0.356 1
1 266 . 5 1 1 A 39 39 ILE N N 60 119.710 120.813 -1.103 1
1 267 . 5 1 1 A 39 39 ILE HA H 60 3.360 3.663 -0.303 1
1 276 . 5 1 1 A 40 40 LEU H H 61 8.380 8.493 -0.113 1
1 277 . 5 1 1 A 40 40 LEU N N 61 119.710 121.395 -1.685 1
1 278 . 5 1 1 A 40 40 LEU HA H 61 3.690 3.979 -0.289 1
1 288 . 5 1 1 A 41 41 ASP H H 62 7.410 8.523 -1.113 1
1 289 . 5 1 1 A 41 41 ASP N N 62 116.590 118.379 -1.789 1
1 290 . 5 1 1 A 41 41 ASP HA H 62 4.010 4.276 -0.266 1
1 293 . 5 1 1 A 42 42 ILE H H 63 7.240 7.860 -0.620 1
1 294 . 5 1 1 A 42 42 ILE N N 63 120.430 119.210 1.220 1
1 295 . 5 1 1 A 42 42 ILE HA H 63 2.540 3.706 -1.166 1
1 305 . 5 1 1 A 43 43 ILE H H 64 7.550 8.604 -1.054 1
1 306 . 5 1 1 A 43 43 ILE N N 64 116.230 121.504 -5.274 1
1 307 . 5 1 1 A 43 43 ILE HA H 64 2.250 3.530 -1.280 1
1 317 . 5 1 1 A 44 44 LEU H H 65 8.560 8.357 0.203 1
1 318 . 5 1 1 A 44 44 LEU N N 65 115.630 118.479 -2.849 1
1 319 . 5 1 1 A 44 44 LEU HA H 65 3.700 3.922 -0.222 1
1 329 . 5 1 1 A 45 45 ASN H H 66 8.200 8.602 -0.402 1
1 330 . 5 1 1 A 45 45 ASN N N 66 112.510 114.699 -2.189 1
1 331 . 5 1 1 A 45 45 ASN HA H 66 4.460 4.660 -0.200 1
1 337 . 5 1 1 A 46 46 GLY H H 67 7.480 7.959 -0.479 1
1 338 . 5 1 1 A 46 46 GLY N N 67 111.910 104.800 7.110 1
1 339 . 5 1 1 A 46 46 GLY HA2 H 67 2.060 4.086 -2.026 1
1 340 . 5 1 1 A 46 46 GLY HA3 H 67 3.210 4.097 -0.887 1
1 341 . 5 1 1 A 47 47 GLN H H 68 6.470 7.887 -1.417 1
1 342 . 5 1 1 A 47 47 GLN N N 68 114.550 119.328 -4.778 1
1 343 . 5 1 1 A 47 47 GLN HA H 68 3.730 4.703 -0.973 1
1 351 . 5 1 1 A 48 48 GLY H H 69 8.680 8.911 -0.231 1
1 352 . 5 1 1 A 48 48 GLY N N 69 115.150 116.418 -1.268 1
1 353 . 5 1 1 A 48 48 GLY HA2 H 69 3.440 3.866 -0.426 1
1 354 . 5 1 1 A 48 48 GLY HA3 H 69 3.740 3.871 -0.131 1
1 355 . 5 1 1 A 49 49 GLY H H 70 9.620 9.000 0.620 1
1 356 . 5 1 1 A 49 49 GLY N N 70 114.790 115.142 -0.352 1
1 357 . 5 1 1 A 49 49 GLY HA2 H 70 3.850 3.937 -0.087 1
1 358 . 5 1 1 A 49 49 GLY HA3 H 70 3.980 3.941 0.039 1
1 359 . 5 1 1 A 50 50 MET H H 71 8.100 7.982 0.118 1
1 360 . 5 1 1 A 50 50 MET N N 71 125.230 121.358 3.872 1
1 361 . 5 1 1 A 50 50 MET HA H 71 3.060 4.645 -1.585 1
1 369 . 5 1 1 A 51 51 PRO HA H 72 3.740 4.411 -0.671 1
1 373 . 5 1 1 A 52 52 GLY H H 73 7.670 8.298 -0.628 1
1 374 . 5 1 1 A 52 52 GLY N N 73 103.400 109.153 -5.753 1
1 375 . 5 1 1 A 52 52 GLY HA2 H 73 2.660 4.045 -1.385 1
1 376 . 5 1 1 A 52 52 GLY HA3 H 73 3.060 4.054 -0.994 1
1 377 . 5 1 1 A 53 53 GLY H H 74 7.530 8.952 -1.422 1
1 378 . 5 1 1 A 53 53 GLY N N 74 106.030 108.883 -2.853 1
1 379 . 5 1 1 A 53 53 GLY HA2 H 74 3.370 3.940 -0.570 1
1 380 . 5 1 1 A 53 53 GLY HA3 H 74 3.560 3.942 -0.382 1
1 381 . 5 1 1 A 54 54 ILE H H 75 9.500 8.122 1.378 1
1 382 . 5 1 1 A 54 54 ILE N N 75 124.150 119.157 4.993 1
1 383 . 5 1 1 A 54 54 ILE HA H 75 3.370 3.930 -0.560 1
1 393 . 5 1 1 A 55 55 ALA H H 76 6.620 7.602 -0.982 1
1 394 . 5 1 1 A 55 55 ALA N N 76 113.950 120.289 -6.339 1
1 395 . 5 1 1 A 55 55 ALA HA H 76 4.420 5.073 -0.653 1
1 399 . 5 1 1 A 56 56 LYS H H 77 8.420 8.886 -0.466 1
1 400 . 5 1 1 A 56 56 LYS N N 77 114.790 117.370 -2.580 1
1 401 . 5 1 1 A 56 56 LYS HA H 77 4.320 4.898 -0.578 1
1 407 . 5 1 1 A 57 57 GLY H H 78 8.420 8.726 -0.306 1
1 408 . 5 1 1 A 57 57 GLY N N 78 107.590 109.625 -2.035 1
1 409 . 5 1 1 A 57 57 GLY HA2 H 78 3.640 3.917 -0.277 1
1 410 . 5 1 1 A 57 57 GLY HA3 H 78 3.740 3.919 -0.179 1
1 411 . 5 1 1 A 58 58 ALA H H 79 8.690 8.851 -0.161 1
1 412 . 5 1 1 A 58 58 ALA N N 79 127.150 128.712 -1.562 1
1 413 . 5 1 1 A 58 58 ALA HA H 79 4.040 4.105 -0.065 1
1 417 . 5 1 1 A 59 59 GLU H H 80 8.200 7.672 0.528 1
1 418 . 5 1 1 A 59 59 GLU N N 80 117.910 118.227 -0.317 1
1 419 . 5 1 1 A 59 59 GLU HA H 80 3.890 4.083 -0.193 1
1 424 . 5 1 1 A 60 60 ALA H H 81 6.820 7.729 -0.909 1
1 425 . 5 1 1 A 60 60 ALA N N 81 120.190 121.473 -1.283 1
1 426 . 5 1 1 A 60 60 ALA HA H 81 3.520 4.105 -0.585 1
1 430 . 5 1 1 A 61 61 GLU H H 82 7.940 8.573 -0.633 1
1 431 . 5 1 1 A 61 61 GLU N N 82 114.910 118.602 -3.692 1
1 432 . 5 1 1 A 61 61 GLU HA H 82 3.730 4.031 -0.301 1
1 437 . 5 1 1 A 62 62 ALA H H 83 7.910 7.781 0.129 1
1 438 . 5 1 1 A 62 62 ALA N N 83 120.670 122.298 -1.628 1
1 439 . 5 1 1 A 62 62 ALA HA H 83 4.190 4.081 0.109 1
1 443 . 5 1 1 A 63 63 VAL H H 84 8.130 8.226 -0.096 1
1 444 . 5 1 1 A 63 63 VAL N N 84 119.230 118.696 0.534 1
1 445 . 5 1 1 A 63 63 VAL HA H 84 3.610 3.783 -0.173 1
1 453 . 5 1 1 A 64 64 ALA H H 85 8.600 8.777 -0.177 1
1 454 . 5 1 1 A 64 64 ALA N N 85 121.750 121.947 -0.197 1
1 455 . 5 1 1 A 64 64 ALA HA H 85 4.080 3.998 0.082 1
1 459 . 5 1 1 A 65 65 ALA H H 86 7.690 7.956 -0.266 1
1 460 . 5 1 1 A 65 65 ALA N N 86 117.310 119.166 -1.856 1
1 461 . 5 1 1 A 65 65 ALA HA H 86 3.860 4.066 -0.206 1
1 465 . 5 1 1 A 66 66 TRP H H 87 7.810 8.511 -0.701 1
1 466 . 5 1 1 A 66 66 TRP N N 87 119.230 120.673 -1.443 1
1 467 . 5 1 1 A 66 66 TRP HA H 87 4.180 4.254 -0.074 1
1 476 . 5 1 1 A 67 67 LEU H H 88 9.070 8.888 0.182 1
1 477 . 5 1 1 A 67 67 LEU N N 88 118.630 121.011 -2.381 1
1 478 . 5 1 1 A 67 67 LEU HA H 88 3.760 3.508 0.252 1
1 488 . 5 1 1 A 68 68 ALA H H 89 8.100 8.462 -0.362 1
1 489 . 5 1 1 A 68 68 ALA N N 89 118.030 120.867 -2.837 1
1 490 . 5 1 1 A 68 68 ALA HA H 89 3.780 3.941 -0.161 1
1 494 . 5 1 1 A 69 69 GLU H H 90 6.710 8.040 -1.330 1
1 495 . 5 1 1 A 69 69 GLU N N 90 111.670 118.588 -6.918 1
1 496 . 5 1 1 A 69 69 GLU HA H 90 4.090 4.034 0.056 1
1 501 . 5 1 1 A 70 70 LYS H H 91 7.460 7.596 -0.136 1
1 502 . 5 1 1 A 70 70 LYS N N 91 122.830 118.751 4.079 1
1 503 . 5 1 1 A 70 70 LYS HA H 91 3.980 4.024 -0.044 1
1 9 . 6 1 1 A 2 2 ASP H H 23 8.490 8.621 -0.131 1
1 10 . 6 1 1 A 2 2 ASP N N 23 126.550 127.267 -0.717 1
1 11 . 6 1 1 A 2 2 ASP HA H 23 4.480 4.534 -0.054 1
1 14 . 6 1 1 A 3 3 ALA H H 24 8.280 8.507 -0.227 1
1 15 . 6 1 1 A 3 3 ALA N N 24 126.910 128.350 -1.440 1
1 16 . 6 1 1 A 3 3 ALA HA H 24 3.420 3.826 -0.406 1
1 20 . 6 1 1 A 4 4 GLU H H 25 7.590 7.472 0.118 1
1 21 . 6 1 1 A 4 4 GLU N N 25 115.030 115.760 -0.730 1
1 22 . 6 1 1 A 4 4 GLU HA H 25 2.600 2.272 0.328 1
1 27 . 6 1 1 A 5 5 ALA H H 26 7.060 7.637 -0.577 1
1 28 . 6 1 1 A 5 5 ALA N N 26 120.430 121.839 -1.409 1
1 29 . 6 1 1 A 5 5 ALA HA H 26 3.910 3.957 -0.047 1
1 33 . 6 1 1 A 6 6 VAL H H 27 7.550 8.137 -0.587 1
1 34 . 6 1 1 A 6 6 VAL N N 27 118.870 118.258 0.612 1
1 35 . 6 1 1 A 6 6 VAL HA H 27 3.570 3.554 0.016 1
1 43 . 6 1 1 A 7 7 VAL H H 28 8.090 8.088 0.002 1
1 44 . 6 1 1 A 7 7 VAL N N 28 120.550 119.475 1.075 1
1 45 . 6 1 1 A 7 7 VAL HA H 28 4.010 3.673 0.337 1
1 53 . 6 1 1 A 8 8 GLN H H 29 7.830 8.350 -0.520 1
1 54 . 6 1 1 A 8 8 GLN N N 29 117.070 118.953 -1.883 1
1 55 . 6 1 1 A 8 8 GLN HA H 29 3.860 4.237 -0.377 1
1 63 . 6 1 1 A 9 9 GLN H H 30 7.640 8.073 -0.433 1
1 64 . 6 1 1 A 9 9 GLN N N 30 115.630 118.643 -3.013 1
1 65 . 6 1 1 A 9 9 GLN HA H 30 4.210 4.638 -0.428 1
1 73 . 6 1 1 A 10 10 LYS H H 31 8.760 7.942 0.818 1
1 74 . 6 1 1 A 10 10 LYS N N 31 113.830 118.655 -4.825 1
1 75 . 6 1 1 A 10 10 LYS HA H 31 4.860 4.459 0.401 1
1 83 . 6 1 1 A 11 11 CYS H H 32 8.770 8.438 0.332 1
1 84 . 6 1 1 A 11 11 CYS N N 32 114.980 116.514 -1.534 1
1 85 . 6 1 1 A 11 11 CYS HA H 32 6.040 4.617 1.423 1
1 88 . 6 1 1 A 12 12 ILE H H 33 6.960 8.167 -1.207 1
1 89 . 6 1 1 A 12 12 ILE N N 33 110.470 120.144 -9.674 1
1 90 . 6 1 1 A 12 12 ILE HA H 33 3.200 3.940 -0.740 1
1 97 . 6 1 1 A 13 13 SER H H 34 8.520 8.210 0.310 1
1 98 . 6 1 1 A 13 13 SER N N 34 119.350 116.771 2.579 1
1 99 . 6 1 1 A 13 13 SER HA H 34 3.870 4.107 -0.237 1
1 102 . 6 1 1 A 14 14 CYS H H 35 6.100 8.155 -2.055 1
1 103 . 6 1 1 A 14 14 CYS N N 35 114.670 117.862 -3.192 1
1 104 . 6 1 1 A 14 14 CYS HA H 35 4.370 4.572 -0.202 1
1 107 . 6 1 1 A 15 15 HIS H H 36 6.120 8.289 -2.169 1
1 108 . 6 1 1 A 15 15 HIS N N 36 112.870 116.305 -3.435 1
1 109 . 6 1 1 A 15 15 HIS HA H 36 2.580 4.547 -1.967 1
1 116 . 6 1 1 A 16 16 GLY H H 37 7.080 8.134 -1.054 1
1 117 . 6 1 1 A 16 16 GLY N N 37 106.750 107.815 -1.065 1
1 118 . 6 1 1 A 16 16 GLY HA2 H 37 3.200 3.992 -0.792 1
1 119 . 6 1 1 A 16 16 GLY HA3 H 37 3.920 3.998 -0.078 1
1 120 . 6 1 1 A 17 17 GLY H H 38 8.310 8.830 -0.520 1
1 121 . 6 1 1 A 17 17 GLY N N 38 108.070 110.584 -2.514 1
1 122 . 6 1 1 A 17 17 GLY HA2 H 38 3.440 3.886 -0.446 1
1 123 . 6 1 1 A 17 17 GLY HA3 H 38 3.670 3.897 -0.227 1
1 124 . 6 1 1 A 18 18 ASP H H 39 7.420 7.730 -0.310 1
1 125 . 6 1 1 A 18 18 ASP N N 39 115.870 120.364 -4.494 1
1 126 . 6 1 1 A 18 18 ASP HA H 39 4.460 4.791 -0.331 1
1 129 . 6 1 1 A 19 19 LEU H H 40 7.460 8.208 -0.748 1
1 130 . 6 1 1 A 19 19 LEU N N 40 109.030 116.464 -7.434 1
1 131 . 6 1 1 A 19 19 LEU HA H 40 3.150 4.128 -0.978 1
1 141 . 6 1 1 A 20 20 THR H H 41 7.390 8.159 -0.769 1
1 142 . 6 1 1 A 20 20 THR N N 41 105.670 111.230 -5.560 1
1 143 . 6 1 1 A 20 20 THR HA H 41 3.950 4.306 -0.356 1
1 148 . 6 1 1 A 21 21 GLY H H 42 7.610 8.228 -0.618 1
1 149 . 6 1 1 A 21 21 GLY N N 42 111.310 110.039 1.271 1
1 150 . 6 1 1 A 21 21 GLY HA2 H 42 2.600 4.100 -1.500 1
1 151 . 6 1 1 A 21 21 GLY HA3 H 42 3.980 4.137 -0.157 1
1 152 . 6 1 1 A 22 22 ALA H H 43 7.480 8.044 -0.564 1
1 153 . 6 1 1 A 22 22 ALA N N 43 125.590 124.832 0.758 1
1 154 . 6 1 1 A 22 22 ALA HA H 43 3.980 4.540 -0.560 1
1 158 . 6 1 1 A 23 23 SER H H 44 7.760 8.324 -0.564 1
1 159 . 6 1 1 A 23 23 SER N N 44 118.630 112.062 6.568 1
1 160 . 6 1 1 A 23 23 SER HA H 44 4.080 4.452 -0.372 1
1 163 . 6 1 1 A 24 24 ALA H H 45 7.300 7.567 -0.267 1
1 164 . 6 1 1 A 24 24 ALA N N 45 125.110 121.264 3.846 1
1 165 . 6 1 1 A 24 24 ALA HA H 45 4.170 4.800 -0.630 1
1 169 . 6 1 1 A 25 25 PRO HA H 46 3.910 4.627 -0.717 1
1 176 . 6 1 1 A 26 26 ALA H H 47 7.920 8.380 -0.460 1
1 177 . 6 1 1 A 26 26 ALA N N 47 120.310 124.690 -4.380 1
1 178 . 6 1 1 A 26 26 ALA HA H 47 3.370 4.524 -1.154 1
1 182 . 6 1 1 A 27 27 ILE H H 48 7.770 8.521 -0.751 1
1 183 . 6 1 1 A 27 27 ILE N N 48 112.150 118.833 -6.683 1
1 184 . 6 1 1 A 27 27 ILE HA H 48 4.170 4.516 -0.346 1
1 194 . 6 1 1 A 28 28 ASP H H 49 8.250 8.316 -0.066 1
1 195 . 6 1 1 A 28 28 ASP N N 49 119.980 123.917 -3.937 1
1 196 . 6 1 1 A 28 28 ASP HA H 49 3.600 4.249 -0.649 1
1 199 . 6 1 1 A 29 29 LYS H H 50 7.720 7.831 -0.111 1
1 200 . 6 1 1 A 29 29 LYS N N 50 117.430 117.448 -0.018 1
1 201 . 6 1 1 A 29 29 LYS HA H 50 4.220 4.321 -0.101 1
1 209 . 6 1 1 A 30 30 ALA H H 51 7.130 8.166 -1.036 1
1 210 . 6 1 1 A 30 30 ALA N N 51 121.030 122.857 -1.827 1
1 211 . 6 1 1 A 30 30 ALA HA H 51 4.240 3.859 0.381 1
1 215 . 6 1 1 A 31 31 GLY H H 52 8.290 8.282 0.008 1
1 216 . 6 1 1 A 31 31 GLY N N 52 103.990 105.354 -1.364 1
1 217 . 6 1 1 A 31 31 GLY HA2 H 52 3.670 3.761 -0.091 1
1 218 . 6 1 1 A 31 31 GLY HA3 H 52 4.370 3.805 0.565 1
1 219 . 6 1 1 A 32 32 ALA H H 53 7.970 8.081 -0.111 1
1 220 . 6 1 1 A 32 32 ALA N N 53 120.670 124.686 -4.016 1
1 221 . 6 1 1 A 32 32 ALA HA H 53 4.160 3.929 0.231 1
1 225 . 6 1 1 A 33 33 ASN H H 54 7.490 7.882 -0.392 1
1 226 . 6 1 1 A 33 33 ASN N N 54 113.350 114.035 -0.685 1
1 227 . 6 1 1 A 33 33 ASN HA H 54 4.590 4.512 0.078 1
1 233 . 6 1 1 A 34 34 TYR H H 55 8.070 7.867 0.203 1
1 234 . 6 1 1 A 34 34 TYR N N 55 118.270 115.495 2.775 1
1 235 . 6 1 1 A 34 34 TYR HA H 55 5.020 5.204 -0.184 1
1 240 . 6 1 1 A 35 35 SER H H 56 9.110 8.912 0.198 1
1 241 . 6 1 1 A 35 35 SER N N 56 114.910 118.420 -3.510 1
1 242 . 6 1 1 A 35 35 SER HA H 56 4.560 4.797 -0.237 1
1 245 . 6 1 1 A 36 36 GLU H H 57 9.020 9.086 -0.066 1
1 246 . 6 1 1 A 36 36 GLU N N 57 121.630 123.181 -1.551 1
1 247 . 6 1 1 A 36 36 GLU HA H 57 3.670 4.051 -0.381 1
1 251 . 6 1 1 A 37 37 GLU H H 58 8.680 8.324 0.356 1
1 252 . 6 1 1 A 37 37 GLU N N 58 116.230 119.242 -3.012 1
1 253 . 6 1 1 A 37 37 GLU HA H 58 3.810 4.091 -0.281 1
1 258 . 6 1 1 A 38 38 GLU H H 59 7.710 7.800 -0.090 1
1 259 . 6 1 1 A 38 38 GLU N N 59 120.070 119.642 0.428 1
1 260 . 6 1 1 A 38 38 GLU HA H 59 3.940 4.030 -0.090 1
1 265 . 6 1 1 A 39 39 ILE H H 60 8.370 8.009 0.361 1
1 266 . 6 1 1 A 39 39 ILE N N 60 119.710 121.005 -1.295 1
1 267 . 6 1 1 A 39 39 ILE HA H 60 3.360 3.667 -0.307 1
1 276 . 6 1 1 A 40 40 LEU H H 61 8.380 8.544 -0.164 1
1 277 . 6 1 1 A 40 40 LEU N N 61 119.710 121.404 -1.694 1
1 278 . 6 1 1 A 40 40 LEU HA H 61 3.690 3.988 -0.298 1
1 288 . 6 1 1 A 41 41 ASP H H 62 7.410 8.270 -0.860 1
1 289 . 6 1 1 A 41 41 ASP N N 62 116.590 118.150 -1.560 1
1 290 . 6 1 1 A 41 41 ASP HA H 62 4.010 4.277 -0.267 1
1 293 . 6 1 1 A 42 42 ILE H H 63 7.240 8.170 -0.930 1
1 294 . 6 1 1 A 42 42 ILE N N 63 120.430 118.888 1.542 1
1 295 . 6 1 1 A 42 42 ILE HA H 63 2.540 3.710 -1.170 1
1 305 . 6 1 1 A 43 43 ILE H H 64 7.550 8.593 -1.043 1
1 306 . 6 1 1 A 43 43 ILE N N 64 116.230 121.525 -5.295 1
1 307 . 6 1 1 A 43 43 ILE HA H 64 2.250 3.557 -1.307 1
1 317 . 6 1 1 A 44 44 LEU H H 65 8.560 8.468 0.092 1
1 318 . 6 1 1 A 44 44 LEU N N 65 115.630 118.424 -2.794 1
1 319 . 6 1 1 A 44 44 LEU HA H 65 3.700 3.990 -0.290 1
1 329 . 6 1 1 A 45 45 ASN H H 66 8.200 8.687 -0.487 1
1 330 . 6 1 1 A 45 45 ASN N N 66 112.510 115.094 -2.584 1
1 331 . 6 1 1 A 45 45 ASN HA H 66 4.460 4.713 -0.253 1
1 337 . 6 1 1 A 46 46 GLY H H 67 7.480 7.842 -0.362 1
1 338 . 6 1 1 A 46 46 GLY N N 67 111.910 103.995 7.915 1
1 339 . 6 1 1 A 46 46 GLY HA2 H 67 2.060 4.128 -2.068 1
1 340 . 6 1 1 A 46 46 GLY HA3 H 67 3.210 4.139 -0.929 1
1 341 . 6 1 1 A 47 47 GLN H H 68 6.470 8.346 -1.876 1
1 342 . 6 1 1 A 47 47 GLN N N 68 114.550 119.102 -4.552 1
1 343 . 6 1 1 A 47 47 GLN HA H 68 3.730 4.723 -0.993 1
1 351 . 6 1 1 A 48 48 GLY H H 69 8.680 8.815 -0.135 1
1 352 . 6 1 1 A 48 48 GLY N N 69 115.150 112.838 2.312 1
1 353 . 6 1 1 A 48 48 GLY HA2 H 69 3.440 3.831 -0.391 1
1 354 . 6 1 1 A 48 48 GLY HA3 H 69 3.740 3.835 -0.095 1
1 355 . 6 1 1 A 49 49 GLY H H 70 9.620 8.543 1.077 1
1 356 . 6 1 1 A 49 49 GLY N N 70 114.790 114.045 0.745 1
1 357 . 6 1 1 A 49 49 GLY HA2 H 70 3.850 3.952 -0.102 1
1 358 . 6 1 1 A 49 49 GLY HA3 H 70 3.980 3.957 0.023 1
1 359 . 6 1 1 A 50 50 MET H H 71 8.100 8.373 -0.273 1
1 360 . 6 1 1 A 50 50 MET N N 71 125.230 121.680 3.550 1
1 361 . 6 1 1 A 50 50 MET HA H 71 3.060 4.745 -1.685 1
1 369 . 6 1 1 A 51 51 PRO HA H 72 3.740 4.367 -0.627 1
1 373 . 6 1 1 A 52 52 GLY H H 73 7.670 8.168 -0.498 1
1 374 . 6 1 1 A 52 52 GLY N N 73 103.400 108.858 -5.458 1
1 375 . 6 1 1 A 52 52 GLY HA2 H 73 2.660 4.067 -1.407 1
1 376 . 6 1 1 A 52 52 GLY HA3 H 73 3.060 4.076 -1.016 1
1 377 . 6 1 1 A 53 53 GLY H H 74 7.530 9.023 -1.493 1
1 378 . 6 1 1 A 53 53 GLY N N 74 106.030 109.609 -3.579 1
1 379 . 6 1 1 A 53 53 GLY HA2 H 74 3.370 3.947 -0.577 1
1 380 . 6 1 1 A 53 53 GLY HA3 H 74 3.560 3.949 -0.389 1
1 381 . 6 1 1 A 54 54 ILE H H 75 9.500 8.119 1.381 1
1 382 . 6 1 1 A 54 54 ILE N N 75 124.150 119.097 5.053 1
1 383 . 6 1 1 A 54 54 ILE HA H 75 3.370 3.929 -0.559 1
1 393 . 6 1 1 A 55 55 ALA H H 76 6.620 7.555 -0.935 1
1 394 . 6 1 1 A 55 55 ALA N N 76 113.950 120.710 -6.760 1
1 395 . 6 1 1 A 55 55 ALA HA H 76 4.420 4.818 -0.398 1
1 399 . 6 1 1 A 56 56 LYS H H 77 8.420 8.883 -0.463 1
1 400 . 6 1 1 A 56 56 LYS N N 77 114.790 119.563 -4.773 1
1 401 . 6 1 1 A 56 56 LYS HA H 77 4.320 4.818 -0.498 1
1 407 . 6 1 1 A 57 57 GLY H H 78 8.420 8.752 -0.332 1
1 408 . 6 1 1 A 57 57 GLY N N 78 107.590 110.016 -2.426 1
1 409 . 6 1 1 A 57 57 GLY HA2 H 78 3.640 3.915 -0.275 1
1 410 . 6 1 1 A 57 57 GLY HA3 H 78 3.740 3.917 -0.177 1
1 411 . 6 1 1 A 58 58 ALA H H 79 8.690 8.706 -0.016 1
1 412 . 6 1 1 A 58 58 ALA N N 79 127.150 128.325 -1.175 1
1 413 . 6 1 1 A 58 58 ALA HA H 79 4.040 4.046 -0.006 1
1 417 . 6 1 1 A 59 59 GLU H H 80 8.200 8.066 0.134 1
1 418 . 6 1 1 A 59 59 GLU N N 80 117.910 118.166 -0.256 1
1 419 . 6 1 1 A 59 59 GLU HA H 80 3.890 4.001 -0.111 1
1 424 . 6 1 1 A 60 60 ALA H H 81 6.820 7.924 -1.104 1
1 425 . 6 1 1 A 60 60 ALA N N 81 120.190 120.777 -0.587 1
1 426 . 6 1 1 A 60 60 ALA HA H 81 3.520 4.122 -0.602 1
1 430 . 6 1 1 A 61 61 GLU H H 82 7.940 8.421 -0.481 1
1 431 . 6 1 1 A 61 61 GLU N N 82 114.910 118.535 -3.625 1
1 432 . 6 1 1 A 61 61 GLU HA H 82 3.730 4.047 -0.317 1
1 437 . 6 1 1 A 62 62 ALA H H 83 7.910 8.153 -0.243 1
1 438 . 6 1 1 A 62 62 ALA N N 83 120.670 122.255 -1.585 1
1 439 . 6 1 1 A 62 62 ALA HA H 83 4.190 4.118 0.072 1
1 443 . 6 1 1 A 63 63 VAL H H 84 8.130 8.213 -0.083 1
1 444 . 6 1 1 A 63 63 VAL N N 84 119.230 118.362 0.868 1
1 445 . 6 1 1 A 63 63 VAL HA H 84 3.610 3.764 -0.154 1
1 453 . 6 1 1 A 64 64 ALA H H 85 8.600 8.823 -0.223 1
1 454 . 6 1 1 A 64 64 ALA N N 85 121.750 121.605 0.145 1
1 455 . 6 1 1 A 64 64 ALA HA H 85 4.080 3.972 0.108 1
1 459 . 6 1 1 A 65 65 ALA H H 86 7.690 8.189 -0.499 1
1 460 . 6 1 1 A 65 65 ALA N N 86 117.310 119.175 -1.865 1
1 461 . 6 1 1 A 65 65 ALA HA H 86 3.860 4.046 -0.186 1
1 465 . 6 1 1 A 66 66 TRP H H 87 7.810 8.307 -0.497 1
1 466 . 6 1 1 A 66 66 TRP N N 87 119.230 120.915 -1.685 1
1 467 . 6 1 1 A 66 66 TRP HA H 87 4.180 4.306 -0.126 1
1 476 . 6 1 1 A 67 67 LEU H H 88 9.070 8.920 0.150 1
1 477 . 6 1 1 A 67 67 LEU N N 88 118.630 121.112 -2.482 1
1 478 . 6 1 1 A 67 67 LEU HA H 88 3.760 3.566 0.194 1
1 488 . 6 1 1 A 68 68 ALA H H 89 8.100 8.663 -0.563 1
1 489 . 6 1 1 A 68 68 ALA N N 89 118.030 121.081 -3.051 1
1 490 . 6 1 1 A 68 68 ALA HA H 89 3.780 3.935 -0.155 1
1 494 . 6 1 1 A 69 69 GLU H H 90 6.710 8.260 -1.550 1
1 495 . 6 1 1 A 69 69 GLU N N 90 111.670 118.452 -6.782 1
1 496 . 6 1 1 A 69 69 GLU HA H 90 4.090 4.072 0.018 1
1 501 . 6 1 1 A 70 70 LYS H H 91 7.460 7.492 -0.032 1
1 502 . 6 1 1 A 70 70 LYS N N 91 122.830 118.353 4.477 1
1 503 . 6 1 1 A 70 70 LYS HA H 91 3.980 4.084 -0.104 1
1 9 . 7 1 1 A 2 2 ASP H H 23 8.490 8.860 -0.370 1
1 10 . 7 1 1 A 2 2 ASP N N 23 126.550 128.434 -1.884 1
1 11 . 7 1 1 A 2 2 ASP HA H 23 4.480 4.578 -0.098 1
1 14 . 7 1 1 A 3 3 ALA H H 24 8.280 8.146 0.134 1
1 15 . 7 1 1 A 3 3 ALA N N 24 126.910 128.399 -1.489 1
1 16 . 7 1 1 A 3 3 ALA HA H 24 3.420 3.840 -0.420 1
1 20 . 7 1 1 A 4 4 GLU H H 25 7.590 7.639 -0.049 1
1 21 . 7 1 1 A 4 4 GLU N N 25 115.030 115.834 -0.804 1
1 22 . 7 1 1 A 4 4 GLU HA H 25 2.600 2.570 0.030 1
1 27 . 7 1 1 A 5 5 ALA H H 26 7.060 7.713 -0.653 1
1 28 . 7 1 1 A 5 5 ALA N N 26 120.430 121.863 -1.433 1
1 29 . 7 1 1 A 5 5 ALA HA H 26 3.910 3.943 -0.033 1
1 33 . 7 1 1 A 6 6 VAL H H 27 7.550 8.144 -0.594 1
1 34 . 7 1 1 A 6 6 VAL N N 27 118.870 118.291 0.579 1
1 35 . 7 1 1 A 6 6 VAL HA H 27 3.570 3.567 0.003 1
1 43 . 7 1 1 A 7 7 VAL H H 28 8.090 7.730 0.360 1
1 44 . 7 1 1 A 7 7 VAL N N 28 120.550 119.413 1.137 1
1 45 . 7 1 1 A 7 7 VAL HA H 28 4.010 3.730 0.280 1
1 53 . 7 1 1 A 8 8 GLN H H 29 7.830 8.351 -0.521 1
1 54 . 7 1 1 A 8 8 GLN N N 29 117.070 118.236 -1.166 1
1 55 . 7 1 1 A 8 8 GLN HA H 29 3.860 4.244 -0.384 1
1 63 . 7 1 1 A 9 9 GLN H H 30 7.640 8.285 -0.645 1
1 64 . 7 1 1 A 9 9 GLN N N 30 115.630 119.678 -4.048 1
1 65 . 7 1 1 A 9 9 GLN HA H 30 4.210 4.655 -0.445 1
1 73 . 7 1 1 A 10 10 LYS H H 31 8.760 8.460 0.300 1
1 74 . 7 1 1 A 10 10 LYS N N 31 113.830 118.279 -4.449 1
1 75 . 7 1 1 A 10 10 LYS HA H 31 4.860 4.499 0.361 1
1 83 . 7 1 1 A 11 11 CYS H H 32 8.770 8.264 0.506 1
1 84 . 7 1 1 A 11 11 CYS N N 32 114.980 116.398 -1.418 1
1 85 . 7 1 1 A 11 11 CYS HA H 32 6.040 4.689 1.351 1
1 88 . 7 1 1 A 12 12 ILE H H 33 6.960 8.236 -1.276 1
1 89 . 7 1 1 A 12 12 ILE N N 33 110.470 120.232 -9.762 1
1 90 . 7 1 1 A 12 12 ILE HA H 33 3.200 3.960 -0.760 1
1 97 . 7 1 1 A 13 13 SER H H 34 8.520 8.321 0.199 1
1 98 . 7 1 1 A 13 13 SER N N 34 119.350 116.625 2.725 1
1 99 . 7 1 1 A 13 13 SER HA H 34 3.870 4.045 -0.175 1
1 102 . 7 1 1 A 14 14 CYS H H 35 6.100 7.951 -1.851 1
1 103 . 7 1 1 A 14 14 CYS N N 35 114.670 117.990 -3.320 1
1 104 . 7 1 1 A 14 14 CYS HA H 35 4.370 4.563 -0.193 1
1 107 . 7 1 1 A 15 15 HIS H H 36 6.120 8.126 -2.006 1
1 108 . 7 1 1 A 15 15 HIS N N 36 112.870 116.677 -3.807 1
1 109 . 7 1 1 A 15 15 HIS HA H 36 2.580 4.514 -1.934 1
1 116 . 7 1 1 A 16 16 GLY H H 37 7.080 8.147 -1.067 1
1 117 . 7 1 1 A 16 16 GLY N N 37 106.750 107.687 -0.937 1
1 118 . 7 1 1 A 16 16 GLY HA2 H 37 3.200 3.995 -0.795 1
1 119 . 7 1 1 A 16 16 GLY HA3 H 37 3.920 4.003 -0.083 1
1 120 . 7 1 1 A 17 17 GLY H H 38 8.310 8.853 -0.543 1
1 121 . 7 1 1 A 17 17 GLY N N 38 108.070 110.514 -2.444 1
1 122 . 7 1 1 A 17 17 GLY HA2 H 38 3.440 3.888 -0.448 1
1 123 . 7 1 1 A 17 17 GLY HA3 H 38 3.670 3.895 -0.225 1
1 124 . 7 1 1 A 18 18 ASP H H 39 7.420 7.792 -0.372 1
1 125 . 7 1 1 A 18 18 ASP N N 39 115.870 121.028 -5.158 1
1 126 . 7 1 1 A 18 18 ASP HA H 39 4.460 4.729 -0.269 1
1 129 . 7 1 1 A 19 19 LEU H H 40 7.460 8.241 -0.781 1
1 130 . 7 1 1 A 19 19 LEU N N 40 109.030 116.511 -7.481 1
1 131 . 7 1 1 A 19 19 LEU HA H 40 3.150 4.167 -1.017 1
1 141 . 7 1 1 A 20 20 THR H H 41 7.390 8.178 -0.788 1
1 142 . 7 1 1 A 20 20 THR N N 41 105.670 111.005 -5.335 1
1 143 . 7 1 1 A 20 20 THR HA H 41 3.950 4.353 -0.403 1
1 148 . 7 1 1 A 21 21 GLY H H 42 7.610 8.069 -0.459 1
1 149 . 7 1 1 A 21 21 GLY N N 42 111.310 110.290 1.020 1
1 150 . 7 1 1 A 21 21 GLY HA2 H 42 2.600 4.041 -1.441 1
1 151 . 7 1 1 A 21 21 GLY HA3 H 42 3.980 4.079 -0.099 1
1 152 . 7 1 1 A 22 22 ALA H H 43 7.480 7.972 -0.492 1
1 153 . 7 1 1 A 22 22 ALA N N 43 125.590 122.804 2.786 1
1 154 . 7 1 1 A 22 22 ALA HA H 43 3.980 4.235 -0.255 1
1 158 . 7 1 1 A 23 23 SER H H 44 7.760 8.187 -0.427 1
1 159 . 7 1 1 A 23 23 SER N N 44 118.630 113.458 5.172 1
1 160 . 7 1 1 A 23 23 SER HA H 44 4.080 4.574 -0.494 1
1 163 . 7 1 1 A 24 24 ALA H H 45 7.300 7.599 -0.299 1
1 164 . 7 1 1 A 24 24 ALA N N 45 125.110 121.448 3.662 1
1 165 . 7 1 1 A 24 24 ALA HA H 45 4.170 4.698 -0.528 1
1 169 . 7 1 1 A 25 25 PRO HA H 46 3.910 4.632 -0.722 1
1 176 . 7 1 1 A 26 26 ALA H H 47 7.920 8.398 -0.478 1
1 177 . 7 1 1 A 26 26 ALA N N 47 120.310 124.630 -4.320 1
1 178 . 7 1 1 A 26 26 ALA HA H 47 3.370 4.450 -1.080 1
1 182 . 7 1 1 A 27 27 ILE H H 48 7.770 8.454 -0.684 1
1 183 . 7 1 1 A 27 27 ILE N N 48 112.150 118.832 -6.682 1
1 184 . 7 1 1 A 27 27 ILE HA H 48 4.170 4.476 -0.306 1
1 194 . 7 1 1 A 28 28 ASP H H 49 8.250 8.341 -0.091 1
1 195 . 7 1 1 A 28 28 ASP N N 49 119.980 123.982 -4.002 1
1 196 . 7 1 1 A 28 28 ASP HA H 49 3.600 4.341 -0.741 1
1 199 . 7 1 1 A 29 29 LYS H H 50 7.720 8.043 -0.323 1
1 200 . 7 1 1 A 29 29 LYS N N 50 117.430 118.296 -0.866 1
1 201 . 7 1 1 A 29 29 LYS HA H 50 4.220 4.210 0.010 1
1 209 . 7 1 1 A 30 30 ALA H H 51 7.130 8.156 -1.026 1
1 210 . 7 1 1 A 30 30 ALA N N 51 121.030 124.280 -3.250 1
1 211 . 7 1 1 A 30 30 ALA HA H 51 4.240 4.043 0.197 1
1 215 . 7 1 1 A 31 31 GLY H H 52 8.290 8.296 -0.006 1
1 216 . 7 1 1 A 31 31 GLY N N 52 103.990 105.743 -1.753 1
1 217 . 7 1 1 A 31 31 GLY HA2 H 52 3.670 3.790 -0.120 1
1 218 . 7 1 1 A 31 31 GLY HA3 H 52 4.370 3.840 0.530 1
1 219 . 7 1 1 A 32 32 ALA H H 53 7.970 8.197 -0.227 1
1 220 . 7 1 1 A 32 32 ALA N N 53 120.670 124.649 -3.979 1
1 221 . 7 1 1 A 32 32 ALA HA H 53 4.160 3.925 0.235 1
1 225 . 7 1 1 A 33 33 ASN H H 54 7.490 7.478 0.012 1
1 226 . 7 1 1 A 33 33 ASN N N 54 113.350 113.907 -0.557 1
1 227 . 7 1 1 A 33 33 ASN HA H 54 4.590 4.461 0.129 1
1 233 . 7 1 1 A 34 34 TYR H H 55 8.070 7.937 0.133 1
1 234 . 7 1 1 A 34 34 TYR N N 55 118.270 115.756 2.514 1
1 235 . 7 1 1 A 34 34 TYR HA H 55 5.020 5.298 -0.278 1
1 240 . 7 1 1 A 35 35 SER H H 56 9.110 9.606 -0.496 1
1 241 . 7 1 1 A 35 35 SER N N 56 114.910 119.213 -4.303 1
1 242 . 7 1 1 A 35 35 SER HA H 56 4.560 4.699 -0.139 1
1 245 . 7 1 1 A 36 36 GLU H H 57 9.020 8.987 0.033 1
1 246 . 7 1 1 A 36 36 GLU N N 57 121.630 123.278 -1.648 1
1 247 . 7 1 1 A 36 36 GLU HA H 57 3.670 4.062 -0.392 1
1 251 . 7 1 1 A 37 37 GLU H H 58 8.680 8.384 0.296 1
1 252 . 7 1 1 A 37 37 GLU N N 58 116.230 119.366 -3.136 1
1 253 . 7 1 1 A 37 37 GLU HA H 58 3.810 4.097 -0.287 1
1 258 . 7 1 1 A 38 38 GLU H H 59 7.710 7.758 -0.048 1
1 259 . 7 1 1 A 38 38 GLU N N 59 120.070 119.587 0.483 1
1 260 . 7 1 1 A 38 38 GLU HA H 59 3.940 4.017 -0.077 1
1 265 . 7 1 1 A 39 39 ILE H H 60 8.370 8.182 0.188 1
1 266 . 7 1 1 A 39 39 ILE N N 60 119.710 120.994 -1.284 1
1 267 . 7 1 1 A 39 39 ILE HA H 60 3.360 3.605 -0.245 1
1 276 . 7 1 1 A 40 40 LEU H H 61 8.380 8.571 -0.191 1
1 277 . 7 1 1 A 40 40 LEU N N 61 119.710 121.401 -1.691 1
1 278 . 7 1 1 A 40 40 LEU HA H 61 3.690 3.961 -0.271 1
1 288 . 7 1 1 A 41 41 ASP H H 62 7.410 8.084 -0.674 1
1 289 . 7 1 1 A 41 41 ASP N N 62 116.590 118.311 -1.721 1
1 290 . 7 1 1 A 41 41 ASP HA H 62 4.010 4.253 -0.243 1
1 293 . 7 1 1 A 42 42 ILE H H 63 7.240 8.216 -0.976 1
1 294 . 7 1 1 A 42 42 ILE N N 63 120.430 118.565 1.865 1
1 295 . 7 1 1 A 42 42 ILE HA H 63 2.540 3.658 -1.118 1
1 305 . 7 1 1 A 43 43 ILE H H 64 7.550 8.532 -0.982 1
1 306 . 7 1 1 A 43 43 ILE N N 64 116.230 120.991 -4.761 1
1 307 . 7 1 1 A 43 43 ILE HA H 64 2.250 3.545 -1.295 1
1 317 . 7 1 1 A 44 44 LEU H H 65 8.560 8.527 0.033 1
1 318 . 7 1 1 A 44 44 LEU N N 65 115.630 118.386 -2.756 1
1 319 . 7 1 1 A 44 44 LEU HA H 65 3.700 3.958 -0.258 1
1 329 . 7 1 1 A 45 45 ASN H H 66 8.200 8.627 -0.427 1
1 330 . 7 1 1 A 45 45 ASN N N 66 112.510 114.819 -2.309 1
1 331 . 7 1 1 A 45 45 ASN HA H 66 4.460 4.671 -0.211 1
1 337 . 7 1 1 A 46 46 GLY H H 67 7.480 7.736 -0.256 1
1 338 . 7 1 1 A 46 46 GLY N N 67 111.910 103.538 8.372 1
1 339 . 7 1 1 A 46 46 GLY HA2 H 67 2.060 4.093 -2.033 1
1 340 . 7 1 1 A 46 46 GLY HA3 H 67 3.210 4.103 -0.893 1
1 341 . 7 1 1 A 47 47 GLN H H 68 6.470 8.029 -1.559 1
1 342 . 7 1 1 A 47 47 GLN N N 68 114.550 119.499 -4.949 1
1 343 . 7 1 1 A 47 47 GLN HA H 68 3.730 4.756 -1.026 1
1 351 . 7 1 1 A 48 48 GLY H H 69 8.680 8.771 -0.091 1
1 352 . 7 1 1 A 48 48 GLY N N 69 115.150 112.315 2.835 1
1 353 . 7 1 1 A 48 48 GLY HA2 H 69 3.440 3.766 -0.326 1
1 354 . 7 1 1 A 48 48 GLY HA3 H 69 3.740 3.770 -0.030 1
1 355 . 7 1 1 A 49 49 GLY H H 70 9.620 8.334 1.286 1
1 356 . 7 1 1 A 49 49 GLY N N 70 114.790 111.802 2.988 1
1 357 . 7 1 1 A 49 49 GLY HA2 H 70 3.850 3.924 -0.074 1
1 358 . 7 1 1 A 49 49 GLY HA3 H 70 3.980 3.928 0.052 1
1 359 . 7 1 1 A 50 50 MET H H 71 8.100 8.045 0.055 1
1 360 . 7 1 1 A 50 50 MET N N 71 125.230 120.692 4.538 1
1 361 . 7 1 1 A 50 50 MET HA H 71 3.060 4.758 -1.698 1
1 369 . 7 1 1 A 51 51 PRO HA H 72 3.740 4.410 -0.670 1
1 373 . 7 1 1 A 52 52 GLY H H 73 7.670 8.298 -0.628 1
1 374 . 7 1 1 A 52 52 GLY N N 73 103.400 109.094 -5.694 1
1 375 . 7 1 1 A 52 52 GLY HA2 H 73 2.660 4.043 -1.383 1
1 376 . 7 1 1 A 52 52 GLY HA3 H 73 3.060 4.051 -0.991 1
1 377 . 7 1 1 A 53 53 GLY H H 74 7.530 8.989 -1.459 1
1 378 . 7 1 1 A 53 53 GLY N N 74 106.030 109.427 -3.397 1
1 379 . 7 1 1 A 53 53 GLY HA2 H 74 3.370 3.946 -0.576 1
1 380 . 7 1 1 A 53 53 GLY HA3 H 74 3.560 3.948 -0.388 1
1 381 . 7 1 1 A 54 54 ILE H H 75 9.500 8.122 1.378 1
1 382 . 7 1 1 A 54 54 ILE N N 75 124.150 119.053 5.097 1
1 383 . 7 1 1 A 54 54 ILE HA H 75 3.370 3.927 -0.557 1
1 393 . 7 1 1 A 55 55 ALA H H 76 6.620 7.584 -0.964 1
1 394 . 7 1 1 A 55 55 ALA N N 76 113.950 120.414 -6.464 1
1 395 . 7 1 1 A 55 55 ALA HA H 76 4.420 5.059 -0.639 1
1 399 . 7 1 1 A 56 56 LYS H H 77 8.420 8.140 0.280 1
1 400 . 7 1 1 A 56 56 LYS N N 77 114.790 119.333 -4.543 1
1 401 . 7 1 1 A 56 56 LYS HA H 77 4.320 4.765 -0.445 1
1 407 . 7 1 1 A 57 57 GLY H H 78 8.420 8.729 -0.309 1
1 408 . 7 1 1 A 57 57 GLY N N 78 107.590 110.058 -2.468 1
1 409 . 7 1 1 A 57 57 GLY HA2 H 78 3.640 3.918 -0.278 1
1 410 . 7 1 1 A 57 57 GLY HA3 H 78 3.740 3.919 -0.179 1
1 411 . 7 1 1 A 58 58 ALA H H 79 8.690 8.735 -0.045 1
1 412 . 7 1 1 A 58 58 ALA N N 79 127.150 128.413 -1.263 1
1 413 . 7 1 1 A 58 58 ALA HA H 79 4.040 4.182 -0.142 1
1 417 . 7 1 1 A 59 59 GLU H H 80 8.200 7.927 0.273 1
1 418 . 7 1 1 A 59 59 GLU N N 80 117.910 118.453 -0.543 1
1 419 . 7 1 1 A 59 59 GLU HA H 80 3.890 3.993 -0.103 1
1 424 . 7 1 1 A 60 60 ALA H H 81 6.820 7.971 -1.151 1
1 425 . 7 1 1 A 60 60 ALA N N 81 120.190 121.172 -0.982 1
1 426 . 7 1 1 A 60 60 ALA HA H 81 3.520 4.125 -0.605 1
1 430 . 7 1 1 A 61 61 GLU H H 82 7.940 8.378 -0.438 1
1 431 . 7 1 1 A 61 61 GLU N N 82 114.910 118.577 -3.667 1
1 432 . 7 1 1 A 61 61 GLU HA H 82 3.730 4.067 -0.337 1
1 437 . 7 1 1 A 62 62 ALA H H 83 7.910 8.253 -0.343 1
1 438 . 7 1 1 A 62 62 ALA N N 83 120.670 122.396 -1.726 1
1 439 . 7 1 1 A 62 62 ALA HA H 83 4.190 4.133 0.057 1
1 443 . 7 1 1 A 63 63 VAL H H 84 8.130 8.357 -0.227 1
1 444 . 7 1 1 A 63 63 VAL N N 84 119.230 118.158 1.072 1
1 445 . 7 1 1 A 63 63 VAL HA H 84 3.610 3.836 -0.226 1
1 453 . 7 1 1 A 64 64 ALA H H 85 8.600 8.862 -0.262 1
1 454 . 7 1 1 A 64 64 ALA N N 85 121.750 121.511 0.239 1
1 455 . 7 1 1 A 64 64 ALA HA H 85 4.080 3.941 0.139 1
1 459 . 7 1 1 A 65 65 ALA H H 86 7.690 8.231 -0.541 1
1 460 . 7 1 1 A 65 65 ALA N N 86 117.310 118.876 -1.566 1
1 461 . 7 1 1 A 65 65 ALA HA H 86 3.860 4.106 -0.246 1
1 465 . 7 1 1 A 66 66 TRP H H 87 7.810 8.171 -0.361 1
1 466 . 7 1 1 A 66 66 TRP N N 87 119.230 120.739 -1.509 1
1 467 . 7 1 1 A 66 66 TRP HA H 87 4.180 4.213 -0.033 1
1 476 . 7 1 1 A 67 67 LEU H H 88 9.070 8.466 0.604 1
1 477 . 7 1 1 A 67 67 LEU N N 88 118.630 120.639 -2.009 1
1 478 . 7 1 1 A 67 67 LEU HA H 88 3.760 3.351 0.409 1
1 488 . 7 1 1 A 68 68 ALA H H 89 8.100 8.206 -0.106 1
1 489 . 7 1 1 A 68 68 ALA N N 89 118.030 121.308 -3.278 1
1 490 . 7 1 1 A 68 68 ALA HA H 89 3.780 3.994 -0.214 1
1 494 . 7 1 1 A 69 69 GLU H H 90 6.710 7.718 -1.008 1
1 495 . 7 1 1 A 69 69 GLU N N 90 111.670 118.304 -6.634 1
1 496 . 7 1 1 A 69 69 GLU HA H 90 4.090 3.990 0.100 1
1 501 . 7 1 1 A 70 70 LYS H H 91 7.460 7.325 0.135 1
1 502 . 7 1 1 A 70 70 LYS N N 91 122.830 118.830 4.000 1
1 503 . 7 1 1 A 70 70 LYS HA H 91 3.980 3.924 0.056 1
1 9 . 8 1 1 A 2 2 ASP H H 23 8.490 8.818 -0.328 1
1 10 . 8 1 1 A 2 2 ASP N N 23 126.550 128.353 -1.803 1
1 11 . 8 1 1 A 2 2 ASP HA H 23 4.480 4.546 -0.066 1
1 14 . 8 1 1 A 3 3 ALA H H 24 8.280 8.530 -0.250 1
1 15 . 8 1 1 A 3 3 ALA N N 24 126.910 127.897 -0.987 1
1 16 . 8 1 1 A 3 3 ALA HA H 24 3.420 3.753 -0.333 1
1 20 . 8 1 1 A 4 4 GLU H H 25 7.590 7.439 0.151 1
1 21 . 8 1 1 A 4 4 GLU N N 25 115.030 116.029 -0.999 1
1 22 . 8 1 1 A 4 4 GLU HA H 25 2.600 2.422 0.178 1
1 27 . 8 1 1 A 5 5 ALA H H 26 7.060 7.492 -0.432 1
1 28 . 8 1 1 A 5 5 ALA N N 26 120.430 121.953 -1.523 1
1 29 . 8 1 1 A 5 5 ALA HA H 26 3.910 3.913 -0.003 1
1 33 . 8 1 1 A 6 6 VAL H H 27 7.550 8.083 -0.533 1
1 34 . 8 1 1 A 6 6 VAL N N 27 118.870 118.836 0.034 1
1 35 . 8 1 1 A 6 6 VAL HA H 27 3.570 3.570 0.000 1
1 43 . 8 1 1 A 7 7 VAL H H 28 8.090 7.975 0.115 1
1 44 . 8 1 1 A 7 7 VAL N N 28 120.550 119.524 1.026 1
1 45 . 8 1 1 A 7 7 VAL HA H 28 4.010 3.755 0.255 1
1 53 . 8 1 1 A 8 8 GLN H H 29 7.830 8.345 -0.515 1
1 54 . 8 1 1 A 8 8 GLN N N 29 117.070 117.801 -0.731 1
1 55 . 8 1 1 A 8 8 GLN HA H 29 3.860 4.262 -0.402 1
1 63 . 8 1 1 A 9 9 GLN H H 30 7.640 8.449 -0.809 1
1 64 . 8 1 1 A 9 9 GLN N N 30 115.630 119.776 -4.146 1
1 65 . 8 1 1 A 9 9 GLN HA H 30 4.210 4.714 -0.504 1
1 73 . 8 1 1 A 10 10 LYS H H 31 8.760 8.383 0.377 1
1 74 . 8 1 1 A 10 10 LYS N N 31 113.830 117.302 -3.472 1
1 75 . 8 1 1 A 10 10 LYS HA H 31 4.860 4.485 0.375 1
1 83 . 8 1 1 A 11 11 CYS H H 32 8.770 8.404 0.366 1
1 84 . 8 1 1 A 11 11 CYS N N 32 114.980 116.464 -1.484 1
1 85 . 8 1 1 A 11 11 CYS HA H 32 6.040 4.666 1.374 1
1 88 . 8 1 1 A 12 12 ILE H H 33 6.960 8.253 -1.293 1
1 89 . 8 1 1 A 12 12 ILE N N 33 110.470 120.162 -9.692 1
1 90 . 8 1 1 A 12 12 ILE HA H 33 3.200 3.958 -0.758 1
1 97 . 8 1 1 A 13 13 SER H H 34 8.520 8.197 0.323 1
1 98 . 8 1 1 A 13 13 SER N N 34 119.350 116.801 2.549 1
1 99 . 8 1 1 A 13 13 SER HA H 34 3.870 4.106 -0.236 1
1 102 . 8 1 1 A 14 14 CYS H H 35 6.100 8.200 -2.100 1
1 103 . 8 1 1 A 14 14 CYS N N 35 114.670 117.811 -3.141 1
1 104 . 8 1 1 A 14 14 CYS HA H 35 4.370 4.557 -0.187 1
1 107 . 8 1 1 A 15 15 HIS H H 36 6.120 8.289 -2.169 1
1 108 . 8 1 1 A 15 15 HIS N N 36 112.870 116.650 -3.780 1
1 109 . 8 1 1 A 15 15 HIS HA H 36 2.580 4.519 -1.939 1
1 116 . 8 1 1 A 16 16 GLY H H 37 7.080 8.130 -1.050 1
1 117 . 8 1 1 A 16 16 GLY N N 37 106.750 107.792 -1.042 1
1 118 . 8 1 1 A 16 16 GLY HA2 H 37 3.200 3.989 -0.789 1
1 119 . 8 1 1 A 16 16 GLY HA3 H 37 3.920 3.996 -0.076 1
1 120 . 8 1 1 A 17 17 GLY H H 38 8.310 8.868 -0.558 1
1 121 . 8 1 1 A 17 17 GLY N N 38 108.070 110.353 -2.283 1
1 122 . 8 1 1 A 17 17 GLY HA2 H 38 3.440 3.888 -0.448 1
1 123 . 8 1 1 A 17 17 GLY HA3 H 38 3.670 3.897 -0.227 1
1 124 . 8 1 1 A 18 18 ASP H H 39 7.420 7.845 -0.425 1
1 125 . 8 1 1 A 18 18 ASP N N 39 115.870 121.082 -5.212 1
1 126 . 8 1 1 A 18 18 ASP HA H 39 4.460 4.760 -0.300 1
1 129 . 8 1 1 A 19 19 LEU H H 40 7.460 8.236 -0.776 1
1 130 . 8 1 1 A 19 19 LEU N N 40 109.030 116.491 -7.461 1
1 131 . 8 1 1 A 19 19 LEU HA H 40 3.150 4.144 -0.994 1
1 141 . 8 1 1 A 20 20 THR H H 41 7.390 8.206 -0.816 1
1 142 . 8 1 1 A 20 20 THR N N 41 105.670 111.357 -5.687 1
1 143 . 8 1 1 A 20 20 THR HA H 41 3.950 4.309 -0.359 1
1 148 . 8 1 1 A 21 21 GLY H H 42 7.610 8.231 -0.621 1
1 149 . 8 1 1 A 21 21 GLY N N 42 111.310 110.541 0.769 1
1 150 . 8 1 1 A 21 21 GLY HA2 H 42 2.600 4.096 -1.496 1
1 151 . 8 1 1 A 21 21 GLY HA3 H 42 3.980 4.128 -0.148 1
1 152 . 8 1 1 A 22 22 ALA H H 43 7.480 7.970 -0.490 1
1 153 . 8 1 1 A 22 22 ALA N N 43 125.590 125.741 -0.151 1
1 154 . 8 1 1 A 22 22 ALA HA H 43 3.980 4.463 -0.483 1
1 158 . 8 1 1 A 23 23 SER H H 44 7.760 8.288 -0.528 1
1 159 . 8 1 1 A 23 23 SER N N 44 118.630 112.378 6.252 1
1 160 . 8 1 1 A 23 23 SER HA H 44 4.080 4.577 -0.497 1
1 163 . 8 1 1 A 24 24 ALA H H 45 7.300 7.571 -0.271 1
1 164 . 8 1 1 A 24 24 ALA N N 45 125.110 121.428 3.682 1
1 165 . 8 1 1 A 24 24 ALA HA H 45 4.170 4.740 -0.570 1
1 169 . 8 1 1 A 25 25 PRO HA H 46 3.910 4.638 -0.728 1
1 176 . 8 1 1 A 26 26 ALA H H 47 7.920 8.393 -0.473 1
1 177 . 8 1 1 A 26 26 ALA N N 47 120.310 124.510 -4.200 1
1 178 . 8 1 1 A 26 26 ALA HA H 47 3.370 4.515 -1.145 1
1 182 . 8 1 1 A 27 27 ILE H H 48 7.770 8.623 -0.853 1
1 183 . 8 1 1 A 27 27 ILE N N 48 112.150 118.858 -6.708 1
1 184 . 8 1 1 A 27 27 ILE HA H 48 4.170 4.585 -0.415 1
1 194 . 8 1 1 A 28 28 ASP H H 49 8.250 8.455 -0.205 1
1 195 . 8 1 1 A 28 28 ASP N N 49 119.980 123.897 -3.917 1
1 196 . 8 1 1 A 28 28 ASP HA H 49 3.600 4.224 -0.624 1
1 199 . 8 1 1 A 29 29 LYS H H 50 7.720 7.804 -0.084 1
1 200 . 8 1 1 A 29 29 LYS N N 50 117.430 117.406 0.024 1
1 201 . 8 1 1 A 29 29 LYS HA H 50 4.220 4.271 -0.051 1
1 209 . 8 1 1 A 30 30 ALA H H 51 7.130 8.016 -0.886 1
1 210 . 8 1 1 A 30 30 ALA N N 51 121.030 122.821 -1.791 1
1 211 . 8 1 1 A 30 30 ALA HA H 51 4.240 3.653 0.587 1
1 215 . 8 1 1 A 31 31 GLY H H 52 8.290 8.273 0.017 1
1 216 . 8 1 1 A 31 31 GLY N N 52 103.990 105.314 -1.324 1
1 217 . 8 1 1 A 31 31 GLY HA2 H 52 3.670 3.726 -0.056 1
1 218 . 8 1 1 A 31 31 GLY HA3 H 52 4.370 3.768 0.602 1
1 219 . 8 1 1 A 32 32 ALA H H 53 7.970 7.927 0.043 1
1 220 . 8 1 1 A 32 32 ALA N N 53 120.670 124.616 -3.946 1
1 221 . 8 1 1 A 32 32 ALA HA H 53 4.160 3.958 0.202 1
1 225 . 8 1 1 A 33 33 ASN H H 54 7.490 7.905 -0.415 1
1 226 . 8 1 1 A 33 33 ASN N N 54 113.350 114.976 -1.626 1
1 227 . 8 1 1 A 33 33 ASN HA H 54 4.590 4.382 0.208 1
1 233 . 8 1 1 A 34 34 TYR H H 55 8.070 7.929 0.141 1
1 234 . 8 1 1 A 34 34 TYR N N 55 118.270 115.568 2.702 1
1 235 . 8 1 1 A 34 34 TYR HA H 55 5.020 5.056 -0.036 1
1 240 . 8 1 1 A 35 35 SER H H 56 9.110 8.849 0.261 1
1 241 . 8 1 1 A 35 35 SER N N 56 114.910 116.624 -1.714 1
1 242 . 8 1 1 A 35 35 SER HA H 56 4.560 4.927 -0.367 1
1 245 . 8 1 1 A 36 36 GLU H H 57 9.020 9.231 -0.211 1
1 246 . 8 1 1 A 36 36 GLU N N 57 121.630 123.944 -2.314 1
1 247 . 8 1 1 A 36 36 GLU HA H 57 3.670 4.052 -0.382 1
1 251 . 8 1 1 A 37 37 GLU H H 58 8.680 8.366 0.314 1
1 252 . 8 1 1 A 37 37 GLU N N 58 116.230 119.561 -3.331 1
1 253 . 8 1 1 A 37 37 GLU HA H 58 3.810 4.104 -0.294 1
1 258 . 8 1 1 A 38 38 GLU H H 59 7.710 7.729 -0.019 1
1 259 . 8 1 1 A 38 38 GLU N N 59 120.070 119.637 0.433 1
1 260 . 8 1 1 A 38 38 GLU HA H 59 3.940 4.062 -0.122 1
1 265 . 8 1 1 A 39 39 ILE H H 60 8.370 8.283 0.087 1
1 266 . 8 1 1 A 39 39 ILE N N 60 119.710 121.008 -1.298 1
1 267 . 8 1 1 A 39 39 ILE HA H 60 3.360 3.644 -0.284 1
1 276 . 8 1 1 A 40 40 LEU H H 61 8.380 8.550 -0.170 1
1 277 . 8 1 1 A 40 40 LEU N N 61 119.710 121.286 -1.576 1
1 278 . 8 1 1 A 40 40 LEU HA H 61 3.690 3.968 -0.278 1
1 288 . 8 1 1 A 41 41 ASP H H 62 7.410 8.325 -0.915 1
1 289 . 8 1 1 A 41 41 ASP N N 62 116.590 118.320 -1.730 1
1 290 . 8 1 1 A 41 41 ASP HA H 62 4.010 4.259 -0.249 1
1 293 . 8 1 1 A 42 42 ILE H H 63 7.240 8.358 -1.118 1
1 294 . 8 1 1 A 42 42 ILE N N 63 120.430 118.437 1.993 1
1 295 . 8 1 1 A 42 42 ILE HA H 63 2.540 3.724 -1.184 1
1 305 . 8 1 1 A 43 43 ILE H H 64 7.550 8.524 -0.974 1
1 306 . 8 1 1 A 43 43 ILE N N 64 116.230 120.818 -4.588 1
1 307 . 8 1 1 A 43 43 ILE HA H 64 2.250 3.551 -1.301 1
1 317 . 8 1 1 A 44 44 LEU H H 65 8.560 8.579 -0.019 1
1 318 . 8 1 1 A 44 44 LEU N N 65 115.630 118.528 -2.898 1
1 319 . 8 1 1 A 44 44 LEU HA H 65 3.700 3.970 -0.270 1
1 329 . 8 1 1 A 45 45 ASN H H 66 8.200 8.534 -0.334 1
1 330 . 8 1 1 A 45 45 ASN N N 66 112.510 114.676 -2.166 1
1 331 . 8 1 1 A 45 45 ASN HA H 66 4.460 4.584 -0.124 1
1 337 . 8 1 1 A 46 46 GLY H H 67 7.480 7.937 -0.457 1
1 338 . 8 1 1 A 46 46 GLY N N 67 111.910 104.078 7.832 1
1 339 . 8 1 1 A 46 46 GLY HA2 H 67 2.060 4.131 -2.071 1
1 340 . 8 1 1 A 46 46 GLY HA3 H 67 3.210 4.140 -0.930 1
1 341 . 8 1 1 A 47 47 GLN H H 68 6.470 8.082 -1.612 1
1 342 . 8 1 1 A 47 47 GLN N N 68 114.550 119.424 -4.874 1
1 343 . 8 1 1 A 47 47 GLN HA H 68 3.730 4.880 -1.150 1
1 351 . 8 1 1 A 48 48 GLY H H 69 8.680 8.914 -0.234 1
1 352 . 8 1 1 A 48 48 GLY N N 69 115.150 113.001 2.149 1
1 353 . 8 1 1 A 48 48 GLY HA2 H 69 3.440 3.808 -0.368 1
1 354 . 8 1 1 A 48 48 GLY HA3 H 69 3.740 3.808 -0.068 1
1 355 . 8 1 1 A 49 49 GLY H H 70 9.620 8.129 1.491 1
1 356 . 8 1 1 A 49 49 GLY N N 70 114.790 108.141 6.649 1
1 357 . 8 1 1 A 49 49 GLY HA2 H 70 3.850 3.967 -0.117 1
1 358 . 8 1 1 A 49 49 GLY HA3 H 70 3.980 3.970 0.010 1
1 359 . 8 1 1 A 50 50 MET H H 71 8.100 7.970 0.130 1
1 360 . 8 1 1 A 50 50 MET N N 71 125.230 119.292 5.938 1
1 361 . 8 1 1 A 50 50 MET HA H 71 3.060 4.976 -1.916 1
1 369 . 8 1 1 A 51 51 PRO HA H 72 3.740 4.413 -0.673 1
1 373 . 8 1 1 A 52 52 GLY H H 73 7.670 8.230 -0.560 1
1 374 . 8 1 1 A 52 52 GLY N N 73 103.400 109.035 -5.635 1
1 375 . 8 1 1 A 52 52 GLY HA2 H 73 2.660 4.042 -1.382 1
1 376 . 8 1 1 A 52 52 GLY HA3 H 73 3.060 4.051 -0.991 1
1 377 . 8 1 1 A 53 53 GLY H H 74 7.530 8.940 -1.410 1
1 378 . 8 1 1 A 53 53 GLY N N 74 106.030 108.814 -2.784 1
1 379 . 8 1 1 A 53 53 GLY HA2 H 74 3.370 3.944 -0.574 1
1 380 . 8 1 1 A 53 53 GLY HA3 H 74 3.560 3.946 -0.386 1
1 381 . 8 1 1 A 54 54 ILE H H 75 9.500 8.115 1.385 1
1 382 . 8 1 1 A 54 54 ILE N N 75 124.150 119.202 4.948 1
1 383 . 8 1 1 A 54 54 ILE HA H 75 3.370 3.908 -0.538 1
1 393 . 8 1 1 A 55 55 ALA H H 76 6.620 7.588 -0.968 1
1 394 . 8 1 1 A 55 55 ALA N N 76 113.950 120.303 -6.353 1
1 395 . 8 1 1 A 55 55 ALA HA H 76 4.420 5.016 -0.596 1
1 399 . 8 1 1 A 56 56 LYS H H 77 8.420 8.508 -0.088 1
1 400 . 8 1 1 A 56 56 LYS N N 77 114.790 118.118 -3.328 1
1 401 . 8 1 1 A 56 56 LYS HA H 77 4.320 4.884 -0.564 1
1 407 . 8 1 1 A 57 57 GLY H H 78 8.420 8.724 -0.304 1
1 408 . 8 1 1 A 57 57 GLY N N 78 107.590 109.487 -1.897 1
1 409 . 8 1 1 A 57 57 GLY HA2 H 78 3.640 3.913 -0.273 1
1 410 . 8 1 1 A 57 57 GLY HA3 H 78 3.740 3.915 -0.175 1
1 411 . 8 1 1 A 58 58 ALA H H 79 8.690 8.690 0.000 1
1 412 . 8 1 1 A 58 58 ALA N N 79 127.150 128.253 -1.103 1
1 413 . 8 1 1 A 58 58 ALA HA H 79 4.040 4.046 -0.006 1
1 417 . 8 1 1 A 59 59 GLU H H 80 8.200 8.026 0.174 1
1 418 . 8 1 1 A 59 59 GLU N N 80 117.910 118.053 -0.143 1
1 419 . 8 1 1 A 59 59 GLU HA H 80 3.890 3.963 -0.073 1
1 424 . 8 1 1 A 60 60 ALA H H 81 6.820 7.779 -0.959 1
1 425 . 8 1 1 A 60 60 ALA N N 81 120.190 121.182 -0.992 1
1 426 . 8 1 1 A 60 60 ALA HA H 81 3.520 4.066 -0.546 1
1 430 . 8 1 1 A 61 61 GLU H H 82 7.940 8.544 -0.604 1
1 431 . 8 1 1 A 61 61 GLU N N 82 114.910 118.378 -3.468 1
1 432 . 8 1 1 A 61 61 GLU HA H 82 3.730 4.058 -0.328 1
1 437 . 8 1 1 A 62 62 ALA H H 83 7.910 8.156 -0.246 1
1 438 . 8 1 1 A 62 62 ALA N N 83 120.670 122.147 -1.477 1
1 439 . 8 1 1 A 62 62 ALA HA H 83 4.190 4.131 0.059 1
1 443 . 8 1 1 A 63 63 VAL H H 84 8.130 8.306 -0.176 1
1 444 . 8 1 1 A 63 63 VAL N N 84 119.230 118.238 0.992 1
1 445 . 8 1 1 A 63 63 VAL HA H 84 3.610 3.764 -0.154 1
1 453 . 8 1 1 A 64 64 ALA H H 85 8.600 8.883 -0.283 1
1 454 . 8 1 1 A 64 64 ALA N N 85 121.750 121.564 0.186 1
1 455 . 8 1 1 A 64 64 ALA HA H 85 4.080 3.993 0.087 1
1 459 . 8 1 1 A 65 65 ALA H H 86 7.690 7.847 -0.157 1
1 460 . 8 1 1 A 65 65 ALA N N 86 117.310 119.164 -1.854 1
1 461 . 8 1 1 A 65 65 ALA HA H 86 3.860 4.046 -0.186 1
1 465 . 8 1 1 A 66 66 TRP H H 87 7.810 8.103 -0.293 1
1 466 . 8 1 1 A 66 66 TRP N N 87 119.230 120.842 -1.612 1
1 467 . 8 1 1 A 66 66 TRP HA H 87 4.180 4.204 -0.024 1
1 476 . 8 1 1 A 67 67 LEU H H 88 9.070 8.717 0.353 1
1 477 . 8 1 1 A 67 67 LEU N N 88 118.630 120.986 -2.356 1
1 478 . 8 1 1 A 67 67 LEU HA H 88 3.760 3.538 0.222 1
1 488 . 8 1 1 A 68 68 ALA H H 89 8.100 8.670 -0.570 1
1 489 . 8 1 1 A 68 68 ALA N N 89 118.030 120.884 -2.854 1
1 490 . 8 1 1 A 68 68 ALA HA H 89 3.780 3.856 -0.076 1
1 494 . 8 1 1 A 69 69 GLU H H 90 6.710 7.887 -1.177 1
1 495 . 8 1 1 A 69 69 GLU N N 90 111.670 117.986 -6.316 1
1 496 . 8 1 1 A 69 69 GLU HA H 90 4.090 4.030 0.060 1
1 501 . 8 1 1 A 70 70 LYS H H 91 7.460 7.430 0.030 1
1 502 . 8 1 1 A 70 70 LYS N N 91 122.830 117.500 5.330 1
1 503 . 8 1 1 A 70 70 LYS HA H 91 3.980 4.029 -0.049 1
1 9 . 9 1 1 A 2 2 ASP H H 23 8.490 8.826 -0.336 1
1 10 . 9 1 1 A 2 2 ASP N N 23 126.550 128.358 -1.808 1
1 11 . 9 1 1 A 2 2 ASP HA H 23 4.480 4.546 -0.066 1
1 14 . 9 1 1 A 3 3 ALA H H 24 8.280 8.477 -0.197 1
1 15 . 9 1 1 A 3 3 ALA N N 24 126.910 127.996 -1.086 1
1 16 . 9 1 1 A 3 3 ALA HA H 24 3.420 3.797 -0.377 1
1 20 . 9 1 1 A 4 4 GLU H H 25 7.590 7.494 0.096 1
1 21 . 9 1 1 A 4 4 GLU N N 25 115.030 115.608 -0.578 1
1 22 . 9 1 1 A 4 4 GLU HA H 25 2.600 2.276 0.324 1
1 27 . 9 1 1 A 5 5 ALA H H 26 7.060 7.497 -0.437 1
1 28 . 9 1 1 A 5 5 ALA N N 26 120.430 121.787 -1.357 1
1 29 . 9 1 1 A 5 5 ALA HA H 26 3.910 3.907 0.003 1
1 33 . 9 1 1 A 6 6 VAL H H 27 7.550 8.067 -0.517 1
1 34 . 9 1 1 A 6 6 VAL N N 27 118.870 118.834 0.036 1
1 35 . 9 1 1 A 6 6 VAL HA H 27 3.570 3.564 0.006 1
1 43 . 9 1 1 A 7 7 VAL H H 28 8.090 7.913 0.177 1
1 44 . 9 1 1 A 7 7 VAL N N 28 120.550 119.255 1.295 1
1 45 . 9 1 1 A 7 7 VAL HA H 28 4.010 3.744 0.266 1
1 53 . 9 1 1 A 8 8 GLN H H 29 7.830 8.397 -0.567 1
1 54 . 9 1 1 A 8 8 GLN N N 29 117.070 118.101 -1.031 1
1 55 . 9 1 1 A 8 8 GLN HA H 29 3.860 4.233 -0.373 1
1 63 . 9 1 1 A 9 9 GLN H H 30 7.640 8.278 -0.638 1
1 64 . 9 1 1 A 9 9 GLN N N 30 115.630 119.540 -3.910 1
1 65 . 9 1 1 A 9 9 GLN HA H 30 4.210 4.677 -0.467 1
1 73 . 9 1 1 A 10 10 LYS H H 31 8.760 8.701 0.059 1
1 74 . 9 1 1 A 10 10 LYS N N 31 113.830 118.285 -4.455 1
1 75 . 9 1 1 A 10 10 LYS HA H 31 4.860 4.307 0.553 1
1 83 . 9 1 1 A 11 11 CYS H H 32 8.770 8.041 0.729 1
1 84 . 9 1 1 A 11 11 CYS N N 32 114.980 116.810 -1.830 1
1 85 . 9 1 1 A 11 11 CYS HA H 32 6.040 4.616 1.424 1
1 88 . 9 1 1 A 12 12 ILE H H 33 6.960 8.121 -1.161 1
1 89 . 9 1 1 A 12 12 ILE N N 33 110.470 120.209 -9.739 1
1 90 . 9 1 1 A 12 12 ILE HA H 33 3.200 3.941 -0.741 1
1 97 . 9 1 1 A 13 13 SER H H 34 8.520 8.359 0.161 1
1 98 . 9 1 1 A 13 13 SER N N 34 119.350 116.741 2.609 1
1 99 . 9 1 1 A 13 13 SER HA H 34 3.870 4.050 -0.180 1
1 102 . 9 1 1 A 14 14 CYS H H 35 6.100 8.078 -1.978 1
1 103 . 9 1 1 A 14 14 CYS N N 35 114.670 117.963 -3.293 1
1 104 . 9 1 1 A 14 14 CYS HA H 35 4.370 4.535 -0.165 1
1 107 . 9 1 1 A 15 15 HIS H H 36 6.120 8.176 -2.056 1
1 108 . 9 1 1 A 15 15 HIS N N 36 112.870 116.462 -3.592 1
1 109 . 9 1 1 A 15 15 HIS HA H 36 2.580 4.498 -1.918 1
1 116 . 9 1 1 A 16 16 GLY H H 37 7.080 8.158 -1.078 1
1 117 . 9 1 1 A 16 16 GLY N N 37 106.750 107.895 -1.145 1
1 118 . 9 1 1 A 16 16 GLY HA2 H 37 3.200 3.993 -0.793 1
1 119 . 9 1 1 A 16 16 GLY HA3 H 37 3.920 4.000 -0.080 1
1 120 . 9 1 1 A 17 17 GLY H H 38 8.310 8.851 -0.541 1
1 121 . 9 1 1 A 17 17 GLY N N 38 108.070 110.472 -2.402 1
1 122 . 9 1 1 A 17 17 GLY HA2 H 38 3.440 3.891 -0.451 1
1 123 . 9 1 1 A 17 17 GLY HA3 H 38 3.670 3.900 -0.230 1
1 124 . 9 1 1 A 18 18 ASP H H 39 7.420 7.839 -0.419 1
1 125 . 9 1 1 A 18 18 ASP N N 39 115.870 120.984 -5.114 1
1 126 . 9 1 1 A 18 18 ASP HA H 39 4.460 4.793 -0.333 1
1 129 . 9 1 1 A 19 19 LEU H H 40 7.460 8.281 -0.821 1
1 130 . 9 1 1 A 19 19 LEU N N 40 109.030 116.382 -7.352 1
1 131 . 9 1 1 A 19 19 LEU HA H 40 3.150 4.122 -0.972 1
1 141 . 9 1 1 A 20 20 THR H H 41 7.390 8.174 -0.784 1
1 142 . 9 1 1 A 20 20 THR N N 41 105.670 111.021 -5.351 1
1 143 . 9 1 1 A 20 20 THR HA H 41 3.950 4.329 -0.379 1
1 148 . 9 1 1 A 21 21 GLY H H 42 7.610 8.073 -0.463 1
1 149 . 9 1 1 A 21 21 GLY N N 42 111.310 110.110 1.200 1
1 150 . 9 1 1 A 21 21 GLY HA2 H 42 2.600 4.044 -1.444 1
1 151 . 9 1 1 A 21 21 GLY HA3 H 42 3.980 4.087 -0.107 1
1 152 . 9 1 1 A 22 22 ALA H H 43 7.480 8.120 -0.640 1
1 153 . 9 1 1 A 22 22 ALA N N 43 125.590 122.403 3.187 1
1 154 . 9 1 1 A 22 22 ALA HA H 43 3.980 4.235 -0.255 1
1 158 . 9 1 1 A 23 23 SER H H 44 7.760 8.341 -0.581 1
1 159 . 9 1 1 A 23 23 SER N N 44 118.630 111.800 6.830 1
1 160 . 9 1 1 A 23 23 SER HA H 44 4.080 4.465 -0.385 1
1 163 . 9 1 1 A 24 24 ALA H H 45 7.300 7.579 -0.279 1
1 164 . 9 1 1 A 24 24 ALA N N 45 125.110 121.537 3.573 1
1 165 . 9 1 1 A 24 24 ALA HA H 45 4.170 4.764 -0.594 1
1 169 . 9 1 1 A 25 25 PRO HA H 46 3.910 4.634 -0.724 1
1 176 . 9 1 1 A 26 26 ALA H H 47 7.920 8.385 -0.465 1
1 177 . 9 1 1 A 26 26 ALA N N 47 120.310 124.400 -4.090 1
1 178 . 9 1 1 A 26 26 ALA HA H 47 3.370 4.428 -1.058 1
1 182 . 9 1 1 A 27 27 ILE H H 48 7.770 8.536 -0.766 1
1 183 . 9 1 1 A 27 27 ILE N N 48 112.150 118.913 -6.763 1
1 184 . 9 1 1 A 27 27 ILE HA H 48 4.170 4.501 -0.331 1
1 194 . 9 1 1 A 28 28 ASP H H 49 8.250 8.636 -0.386 1
1 195 . 9 1 1 A 28 28 ASP N N 49 119.980 123.822 -3.842 1
1 196 . 9 1 1 A 28 28 ASP HA H 49 3.600 4.199 -0.599 1
1 199 . 9 1 1 A 29 29 LYS H H 50 7.720 7.703 0.017 1
1 200 . 9 1 1 A 29 29 LYS N N 50 117.430 117.359 0.071 1
1 201 . 9 1 1 A 29 29 LYS HA H 50 4.220 4.289 -0.069 1
1 209 . 9 1 1 A 30 30 ALA H H 51 7.130 8.152 -1.022 1
1 210 . 9 1 1 A 30 30 ALA N N 51 121.030 122.669 -1.639 1
1 211 . 9 1 1 A 30 30 ALA HA H 51 4.240 3.977 0.263 1
1 215 . 9 1 1 A 31 31 GLY H H 52 8.290 8.283 0.007 1
1 216 . 9 1 1 A 31 31 GLY N N 52 103.990 105.566 -1.576 1
1 217 . 9 1 1 A 31 31 GLY HA2 H 52 3.670 3.766 -0.096 1
1 218 . 9 1 1 A 31 31 GLY HA3 H 52 4.370 3.813 0.557 1
1 219 . 9 1 1 A 32 32 ALA H H 53 7.970 8.086 -0.116 1
1 220 . 9 1 1 A 32 32 ALA N N 53 120.670 124.739 -4.069 1
1 221 . 9 1 1 A 32 32 ALA HA H 53 4.160 3.927 0.233 1
1 225 . 9 1 1 A 33 33 ASN H H 54 7.490 7.815 -0.325 1
1 226 . 9 1 1 A 33 33 ASN N N 54 113.350 113.709 -0.359 1
1 227 . 9 1 1 A 33 33 ASN HA H 54 4.590 4.488 0.102 1
1 233 . 9 1 1 A 34 34 TYR H H 55 8.070 7.959 0.111 1
1 234 . 9 1 1 A 34 34 TYR N N 55 118.270 115.786 2.484 1
1 235 . 9 1 1 A 34 34 TYR HA H 55 5.020 5.207 -0.187 1
1 240 . 9 1 1 A 35 35 SER H H 56 9.110 8.951 0.159 1
1 241 . 9 1 1 A 35 35 SER N N 56 114.910 118.900 -3.990 1
1 242 . 9 1 1 A 35 35 SER HA H 56 4.560 4.743 -0.183 1
1 245 . 9 1 1 A 36 36 GLU H H 57 9.020 9.051 -0.031 1
1 246 . 9 1 1 A 36 36 GLU N N 57 121.630 122.957 -1.327 1
1 247 . 9 1 1 A 36 36 GLU HA H 57 3.670 4.038 -0.368 1
1 251 . 9 1 1 A 37 37 GLU H H 58 8.680 8.250 0.430 1
1 252 . 9 1 1 A 37 37 GLU N N 58 116.230 119.271 -3.041 1
1 253 . 9 1 1 A 37 37 GLU HA H 58 3.810 4.090 -0.280 1
1 258 . 9 1 1 A 38 38 GLU H H 59 7.710 8.316 -0.606 1
1 259 . 9 1 1 A 38 38 GLU N N 59 120.070 119.738 0.332 1
1 260 . 9 1 1 A 38 38 GLU HA H 59 3.940 3.934 0.006 1
1 265 . 9 1 1 A 39 39 ILE H H 60 8.370 7.981 0.389 1
1 266 . 9 1 1 A 39 39 ILE N N 60 119.710 120.848 -1.138 1
1 267 . 9 1 1 A 39 39 ILE HA H 60 3.360 3.662 -0.302 1
1 276 . 9 1 1 A 40 40 LEU H H 61 8.380 8.522 -0.142 1
1 277 . 9 1 1 A 40 40 LEU N N 61 119.710 121.396 -1.686 1
1 278 . 9 1 1 A 40 40 LEU HA H 61 3.690 3.962 -0.272 1
1 288 . 9 1 1 A 41 41 ASP H H 62 7.410 8.619 -1.209 1
1 289 . 9 1 1 A 41 41 ASP N N 62 116.590 117.907 -1.317 1
1 290 . 9 1 1 A 41 41 ASP HA H 62 4.010 4.338 -0.328 1
1 293 . 9 1 1 A 42 42 ILE H H 63 7.240 8.177 -0.937 1
1 294 . 9 1 1 A 42 42 ILE N N 63 120.430 119.471 0.959 1
1 295 . 9 1 1 A 42 42 ILE HA H 63 2.540 3.662 -1.122 1
1 305 . 9 1 1 A 43 43 ILE H H 64 7.550 8.465 -0.915 1
1 306 . 9 1 1 A 43 43 ILE N N 64 116.230 121.515 -5.285 1
1 307 . 9 1 1 A 43 43 ILE HA H 64 2.250 3.543 -1.293 1
1 317 . 9 1 1 A 44 44 LEU H H 65 8.560 8.615 -0.055 1
1 318 . 9 1 1 A 44 44 LEU N N 65 115.630 118.314 -2.684 1
1 319 . 9 1 1 A 44 44 LEU HA H 65 3.700 3.952 -0.252 1
1 329 . 9 1 1 A 45 45 ASN H H 66 8.200 8.439 -0.239 1
1 330 . 9 1 1 A 45 45 ASN N N 66 112.510 114.607 -2.097 1
1 331 . 9 1 1 A 45 45 ASN HA H 66 4.460 4.587 -0.127 1
1 337 . 9 1 1 A 46 46 GLY H H 67 7.480 7.991 -0.511 1
1 338 . 9 1 1 A 46 46 GLY N N 67 111.910 105.062 6.848 1
1 339 . 9 1 1 A 46 46 GLY HA2 H 67 2.060 4.074 -2.014 1
1 340 . 9 1 1 A 46 46 GLY HA3 H 67 3.210 4.083 -0.873 1
1 341 . 9 1 1 A 47 47 GLN H H 68 6.470 8.531 -2.061 1
1 342 . 9 1 1 A 47 47 GLN N N 68 114.550 124.146 -9.596 1
1 343 . 9 1 1 A 47 47 GLN HA H 68 3.730 4.157 -0.427 1
1 351 . 9 1 1 A 48 48 GLY H H 69 8.680 8.778 -0.098 1
1 352 . 9 1 1 A 48 48 GLY N N 69 115.150 111.067 4.083 1
1 353 . 9 1 1 A 48 48 GLY HA2 H 69 3.440 3.800 -0.360 1
1 354 . 9 1 1 A 48 48 GLY HA3 H 69 3.740 3.802 -0.062 1
1 355 . 9 1 1 A 49 49 GLY H H 70 9.620 8.350 1.270 1
1 356 . 9 1 1 A 49 49 GLY N N 70 114.790 108.228 6.562 1
1 357 . 9 1 1 A 49 49 GLY HA2 H 70 3.850 3.954 -0.104 1
1 358 . 9 1 1 A 49 49 GLY HA3 H 70 3.980 3.955 0.025 1
1 359 . 9 1 1 A 50 50 MET H H 71 8.100 8.048 0.052 1
1 360 . 9 1 1 A 50 50 MET N N 71 125.230 119.689 5.541 1
1 361 . 9 1 1 A 50 50 MET HA H 71 3.060 4.996 -1.936 1
1 369 . 9 1 1 A 51 51 PRO HA H 72 3.740 4.660 -0.920 1
1 373 . 9 1 1 A 52 52 GLY H H 73 7.670 8.495 -0.825 1
1 374 . 9 1 1 A 52 52 GLY N N 73 103.400 108.053 -4.653 1
1 375 . 9 1 1 A 52 52 GLY HA2 H 73 2.660 4.158 -1.498 1
1 376 . 9 1 1 A 52 52 GLY HA3 H 73 3.060 4.166 -1.106 1
1 377 . 9 1 1 A 53 53 GLY H H 74 7.530 9.059 -1.529 1
1 378 . 9 1 1 A 53 53 GLY N N 74 106.030 107.904 -1.874 1
1 379 . 9 1 1 A 53 53 GLY HA2 H 74 3.370 3.954 -0.584 1
1 380 . 9 1 1 A 53 53 GLY HA3 H 74 3.560 3.956 -0.396 1
1 381 . 9 1 1 A 54 54 ILE H H 75 9.500 8.106 1.394 1
1 382 . 9 1 1 A 54 54 ILE N N 75 124.150 119.691 4.459 1
1 383 . 9 1 1 A 54 54 ILE HA H 75 3.370 3.917 -0.547 1
1 393 . 9 1 1 A 55 55 ALA H H 76 6.620 7.537 -0.917 1
1 394 . 9 1 1 A 55 55 ALA N N 76 113.950 120.850 -6.900 1
1 395 . 9 1 1 A 55 55 ALA HA H 76 4.420 5.071 -0.651 1
1 399 . 9 1 1 A 56 56 LYS H H 77 8.420 8.111 0.309 1
1 400 . 9 1 1 A 56 56 LYS N N 77 114.790 119.951 -5.161 1
1 401 . 9 1 1 A 56 56 LYS HA H 77 4.320 4.762 -0.442 1
1 407 . 9 1 1 A 57 57 GLY H H 78 8.420 8.750 -0.330 1
1 408 . 9 1 1 A 57 57 GLY N N 78 107.590 110.097 -2.507 1
1 409 . 9 1 1 A 57 57 GLY HA2 H 78 3.640 3.912 -0.272 1
1 410 . 9 1 1 A 57 57 GLY HA3 H 78 3.740 3.914 -0.174 1
1 411 . 9 1 1 A 58 58 ALA H H 79 8.690 8.749 -0.059 1
1 412 . 9 1 1 A 58 58 ALA N N 79 127.150 128.400 -1.250 1
1 413 . 9 1 1 A 58 58 ALA HA H 79 4.040 4.058 -0.018 1
1 417 . 9 1 1 A 59 59 GLU H H 80 8.200 8.100 0.100 1
1 418 . 9 1 1 A 59 59 GLU N N 80 117.910 118.362 -0.452 1
1 419 . 9 1 1 A 59 59 GLU HA H 80 3.890 3.997 -0.107 1
1 424 . 9 1 1 A 60 60 ALA H H 81 6.820 7.774 -0.954 1
1 425 . 9 1 1 A 60 60 ALA N N 81 120.190 121.057 -0.867 1
1 426 . 9 1 1 A 60 60 ALA HA H 81 3.520 4.065 -0.545 1
1 430 . 9 1 1 A 61 61 GLU H H 82 7.940 8.539 -0.599 1
1 431 . 9 1 1 A 61 61 GLU N N 82 114.910 118.303 -3.393 1
1 432 . 9 1 1 A 61 61 GLU HA H 82 3.730 4.061 -0.331 1
1 437 . 9 1 1 A 62 62 ALA H H 83 7.910 8.165 -0.255 1
1 438 . 9 1 1 A 62 62 ALA N N 83 120.670 122.175 -1.505 1
1 439 . 9 1 1 A 62 62 ALA HA H 83 4.190 4.123 0.067 1
1 443 . 9 1 1 A 63 63 VAL H H 84 8.130 8.362 -0.232 1
1 444 . 9 1 1 A 63 63 VAL N N 84 119.230 118.231 0.999 1
1 445 . 9 1 1 A 63 63 VAL HA H 84 3.610 3.768 -0.158 1
1 453 . 9 1 1 A 64 64 ALA H H 85 8.600 8.806 -0.206 1
1 454 . 9 1 1 A 64 64 ALA N N 85 121.750 121.512 0.238 1
1 455 . 9 1 1 A 64 64 ALA HA H 85 4.080 3.938 0.142 1
1 459 . 9 1 1 A 65 65 ALA H H 86 7.690 7.967 -0.277 1
1 460 . 9 1 1 A 65 65 ALA N N 86 117.310 118.972 -1.662 1
1 461 . 9 1 1 A 65 65 ALA HA H 86 3.860 4.035 -0.175 1
1 465 . 9 1 1 A 66 66 TRP H H 87 7.810 8.185 -0.375 1
1 466 . 9 1 1 A 66 66 TRP N N 87 119.230 120.653 -1.423 1
1 467 . 9 1 1 A 66 66 TRP HA H 87 4.180 4.311 -0.131 1
1 476 . 9 1 1 A 67 67 LEU H H 88 9.070 8.599 0.471 1
1 477 . 9 1 1 A 67 67 LEU N N 88 118.630 121.152 -2.522 1
1 478 . 9 1 1 A 67 67 LEU HA H 88 3.760 3.489 0.271 1
1 488 . 9 1 1 A 68 68 ALA H H 89 8.100 8.684 -0.584 1
1 489 . 9 1 1 A 68 68 ALA N N 89 118.030 121.040 -3.010 1
1 490 . 9 1 1 A 68 68 ALA HA H 89 3.780 3.988 -0.208 1
1 494 . 9 1 1 A 69 69 GLU H H 90 6.710 8.430 -1.720 1
1 495 . 9 1 1 A 69 69 GLU N N 90 111.670 117.860 -6.190 1
1 496 . 9 1 1 A 69 69 GLU HA H 90 4.090 4.127 -0.037 1
1 501 . 9 1 1 A 70 70 LYS H H 91 7.460 7.428 0.032 1
1 502 . 9 1 1 A 70 70 LYS N N 91 122.830 119.052 3.778 1
1 503 . 9 1 1 A 70 70 LYS HA H 91 3.980 3.864 0.116 1
1 9 . 10 1 1 A 2 2 ASP H H 23 8.490 8.715 -0.225 1
1 10 . 10 1 1 A 2 2 ASP N N 23 126.550 127.559 -1.009 1
1 11 . 10 1 1 A 2 2 ASP HA H 23 4.480 4.565 -0.085 1
1 14 . 10 1 1 A 3 3 ALA H H 24 8.280 8.661 -0.381 1
1 15 . 10 1 1 A 3 3 ALA N N 24 126.910 128.072 -1.162 1
1 16 . 10 1 1 A 3 3 ALA HA H 24 3.420 3.843 -0.423 1
1 20 . 10 1 1 A 4 4 GLU H H 25 7.590 7.718 -0.128 1
1 21 . 10 1 1 A 4 4 GLU N N 25 115.030 115.850 -0.820 1
1 22 . 10 1 1 A 4 4 GLU HA H 25 2.600 2.674 -0.074 1
1 27 . 10 1 1 A 5 5 ALA H H 26 7.060 7.501 -0.441 1
1 28 . 10 1 1 A 5 5 ALA N N 26 120.430 121.928 -1.498 1
1 29 . 10 1 1 A 5 5 ALA HA H 26 3.910 3.921 -0.011 1
1 33 . 10 1 1 A 6 6 VAL H H 27 7.550 8.102 -0.552 1
1 34 . 10 1 1 A 6 6 VAL N N 27 118.870 118.229 0.641 1
1 35 . 10 1 1 A 6 6 VAL HA H 27 3.570 3.552 0.018 1
1 43 . 10 1 1 A 7 7 VAL H H 28 8.090 7.880 0.210 1
1 44 . 10 1 1 A 7 7 VAL N N 28 120.550 119.551 0.999 1
1 45 . 10 1 1 A 7 7 VAL HA H 28 4.010 3.659 0.351 1
1 53 . 10 1 1 A 8 8 GLN H H 29 7.830 8.342 -0.512 1
1 54 . 10 1 1 A 8 8 GLN N N 29 117.070 118.003 -0.933 1
1 55 . 10 1 1 A 8 8 GLN HA H 29 3.860 4.222 -0.362 1
1 63 . 10 1 1 A 9 9 GLN H H 30 7.640 8.126 -0.486 1
1 64 . 10 1 1 A 9 9 GLN N N 30 115.630 118.696 -3.066 1
1 65 . 10 1 1 A 9 9 GLN HA H 30 4.210 4.617 -0.407 1
1 73 . 10 1 1 A 10 10 LYS H H 31 8.760 8.581 0.179 1
1 74 . 10 1 1 A 10 10 LYS N N 31 113.830 118.428 -4.598 1
1 75 . 10 1 1 A 10 10 LYS HA H 31 4.860 4.427 0.433 1
1 83 . 10 1 1 A 11 11 CYS H H 32 8.770 8.214 0.556 1
1 84 . 10 1 1 A 11 11 CYS N N 32 114.980 115.940 -0.960 1
1 85 . 10 1 1 A 11 11 CYS HA H 32 6.040 4.665 1.375 1
1 88 . 10 1 1 A 12 12 ILE H H 33 6.960 8.182 -1.222 1
1 89 . 10 1 1 A 12 12 ILE N N 33 110.470 120.208 -9.738 1
1 90 . 10 1 1 A 12 12 ILE HA H 33 3.200 3.954 -0.754 1
1 97 . 10 1 1 A 13 13 SER H H 34 8.520 8.320 0.200 1
1 98 . 10 1 1 A 13 13 SER N N 34 119.350 116.640 2.710 1
1 99 . 10 1 1 A 13 13 SER HA H 34 3.870 4.061 -0.191 1
1 102 . 10 1 1 A 14 14 CYS H H 35 6.100 8.033 -1.933 1
1 103 . 10 1 1 A 14 14 CYS N N 35 114.670 117.921 -3.251 1
1 104 . 10 1 1 A 14 14 CYS HA H 35 4.370 4.574 -0.204 1
1 107 . 10 1 1 A 15 15 HIS H H 36 6.120 8.183 -2.063 1
1 108 . 10 1 1 A 15 15 HIS N N 36 112.870 116.470 -3.600 1
1 109 . 10 1 1 A 15 15 HIS HA H 36 2.580 4.498 -1.918 1
1 116 . 10 1 1 A 16 16 GLY H H 37 7.080 8.093 -1.013 1
1 117 . 10 1 1 A 16 16 GLY N N 37 106.750 107.593 -0.843 1
1 118 . 10 1 1 A 16 16 GLY HA2 H 37 3.200 4.013 -0.813 1
1 119 . 10 1 1 A 16 16 GLY HA3 H 37 3.920 4.020 -0.100 1
1 120 . 10 1 1 A 17 17 GLY H H 38 8.310 8.846 -0.536 1
1 121 . 10 1 1 A 17 17 GLY N N 38 108.070 110.084 -2.014 1
1 122 . 10 1 1 A 17 17 GLY HA2 H 38 3.440 3.901 -0.461 1
1 123 . 10 1 1 A 17 17 GLY HA3 H 38 3.670 3.905 -0.235 1
1 124 . 10 1 1 A 18 18 ASP H H 39 7.420 7.835 -0.415 1
1 125 . 10 1 1 A 18 18 ASP N N 39 115.870 121.093 -5.223 1
1 126 . 10 1 1 A 18 18 ASP HA H 39 4.460 4.783 -0.323 1
1 129 . 10 1 1 A 19 19 LEU H H 40 7.460 8.258 -0.798 1
1 130 . 10 1 1 A 19 19 LEU N N 40 109.030 116.503 -7.473 1
1 131 . 10 1 1 A 19 19 LEU HA H 40 3.150 4.138 -0.988 1
1 141 . 10 1 1 A 20 20 THR H H 41 7.390 8.186 -0.796 1
1 142 . 10 1 1 A 20 20 THR N N 41 105.670 111.075 -5.405 1
1 143 . 10 1 1 A 20 20 THR HA H 41 3.950 4.327 -0.377 1
1 148 . 10 1 1 A 21 21 GLY H H 42 7.610 8.038 -0.428 1
1 149 . 10 1 1 A 21 21 GLY N N 42 111.310 110.119 1.191 1
1 150 . 10 1 1 A 21 21 GLY HA2 H 42 2.600 4.046 -1.446 1
1 151 . 10 1 1 A 21 21 GLY HA3 H 42 3.980 4.086 -0.106 1
1 152 . 10 1 1 A 22 22 ALA H H 43 7.480 8.127 -0.647 1
1 153 . 10 1 1 A 22 22 ALA N N 43 125.590 122.721 2.869 1
1 154 . 10 1 1 A 22 22 ALA HA H 43 3.980 4.235 -0.255 1
1 158 . 10 1 1 A 23 23 SER H H 44 7.760 8.187 -0.427 1
1 159 . 10 1 1 A 23 23 SER N N 44 118.630 113.533 5.097 1
1 160 . 10 1 1 A 23 23 SER HA H 44 4.080 4.570 -0.490 1
1 163 . 10 1 1 A 24 24 ALA H H 45 7.300 7.571 -0.271 1
1 164 . 10 1 1 A 24 24 ALA N N 45 125.110 121.423 3.687 1
1 165 . 10 1 1 A 24 24 ALA HA H 45 4.170 4.783 -0.613 1
1 169 . 10 1 1 A 25 25 PRO HA H 46 3.910 4.639 -0.729 1
1 176 . 10 1 1 A 26 26 ALA H H 47 7.920 8.396 -0.476 1
1 177 . 10 1 1 A 26 26 ALA N N 47 120.310 124.652 -4.342 1
1 178 . 10 1 1 A 26 26 ALA HA H 47 3.370 4.490 -1.120 1
1 182 . 10 1 1 A 27 27 ILE H H 48 7.770 8.502 -0.732 1
1 183 . 10 1 1 A 27 27 ILE N N 48 112.150 118.933 -6.783 1
1 184 . 10 1 1 A 27 27 ILE HA H 48 4.170 4.480 -0.310 1
1 194 . 10 1 1 A 28 28 ASP H H 49 8.250 8.636 -0.386 1
1 195 . 10 1 1 A 28 28 ASP N N 49 119.980 123.335 -3.355 1
1 196 . 10 1 1 A 28 28 ASP HA H 49 3.600 4.216 -0.616 1
1 199 . 10 1 1 A 29 29 LYS H H 50 7.720 7.736 -0.016 1
1 200 . 10 1 1 A 29 29 LYS N N 50 117.430 117.277 0.153 1
1 201 . 10 1 1 A 29 29 LYS HA H 50 4.220 4.292 -0.072 1
1 209 . 10 1 1 A 30 30 ALA H H 51 7.130 8.263 -1.133 1
1 210 . 10 1 1 A 30 30 ALA N N 51 121.030 122.871 -1.841 1
1 211 . 10 1 1 A 30 30 ALA HA H 51 4.240 4.016 0.224 1
1 215 . 10 1 1 A 31 31 GLY H H 52 8.290 8.270 0.020 1
1 216 . 10 1 1 A 31 31 GLY N N 52 103.990 105.607 -1.617 1
1 217 . 10 1 1 A 31 31 GLY HA2 H 52 3.670 3.763 -0.093 1
1 218 . 10 1 1 A 31 31 GLY HA3 H 52 4.370 3.817 0.553 1
1 219 . 10 1 1 A 32 32 ALA H H 53 7.970 8.018 -0.048 1
1 220 . 10 1 1 A 32 32 ALA N N 53 120.670 124.722 -4.052 1
1 221 . 10 1 1 A 32 32 ALA HA H 53 4.160 3.926 0.234 1
1 225 . 10 1 1 A 33 33 ASN H H 54 7.490 7.938 -0.448 1
1 226 . 10 1 1 A 33 33 ASN N N 54 113.350 113.712 -0.362 1
1 227 . 10 1 1 A 33 33 ASN HA H 54 4.590 4.469 0.121 1
1 233 . 10 1 1 A 34 34 TYR H H 55 8.070 7.983 0.087 1
1 234 . 10 1 1 A 34 34 TYR N N 55 118.270 115.775 2.495 1
1 235 . 10 1 1 A 34 34 TYR HA H 55 5.020 5.198 -0.178 1
1 240 . 10 1 1 A 35 35 SER H H 56 9.110 8.937 0.173 1
1 241 . 10 1 1 A 35 35 SER N N 56 114.910 119.161 -4.251 1
1 242 . 10 1 1 A 35 35 SER HA H 56 4.560 4.680 -0.120 1
1 245 . 10 1 1 A 36 36 GLU H H 57 9.020 8.989 0.031 1
1 246 . 10 1 1 A 36 36 GLU N N 57 121.630 123.234 -1.604 1
1 247 . 10 1 1 A 36 36 GLU HA H 57 3.670 4.070 -0.400 1
1 251 . 10 1 1 A 37 37 GLU H H 58 8.680 8.290 0.390 1
1 252 . 10 1 1 A 37 37 GLU N N 58 116.230 119.607 -3.377 1
1 253 . 10 1 1 A 37 37 GLU HA H 58 3.810 4.095 -0.285 1
1 258 . 10 1 1 A 38 38 GLU H H 59 7.710 8.376 -0.666 1
1 259 . 10 1 1 A 38 38 GLU N N 59 120.070 119.968 0.102 1
1 260 . 10 1 1 A 38 38 GLU HA H 59 3.940 3.918 0.022 1
1 265 . 10 1 1 A 39 39 ILE H H 60 8.370 8.033 0.337 1
1 266 . 10 1 1 A 39 39 ILE N N 60 119.710 120.837 -1.127 1
1 267 . 10 1 1 A 39 39 ILE HA H 60 3.360 3.642 -0.282 1
1 276 . 10 1 1 A 40 40 LEU H H 61 8.380 8.526 -0.146 1
1 277 . 10 1 1 A 40 40 LEU N N 61 119.710 121.408 -1.698 1
1 278 . 10 1 1 A 40 40 LEU HA H 61 3.690 3.975 -0.285 1
1 288 . 10 1 1 A 41 41 ASP H H 62 7.410 8.408 -0.998 1
1 289 . 10 1 1 A 41 41 ASP N N 62 116.590 118.425 -1.835 1
1 290 . 10 1 1 A 41 41 ASP HA H 62 4.010 4.258 -0.248 1
1 293 . 10 1 1 A 42 42 ILE H H 63 7.240 8.300 -1.060 1
1 294 . 10 1 1 A 42 42 ILE N N 63 120.430 118.780 1.650 1
1 295 . 10 1 1 A 42 42 ILE HA H 63 2.540 3.644 -1.104 1
1 305 . 10 1 1 A 43 43 ILE H H 64 7.550 8.425 -0.875 1
1 306 . 10 1 1 A 43 43 ILE N N 64 116.230 121.570 -5.340 1
1 307 . 10 1 1 A 43 43 ILE HA H 64 2.250 3.536 -1.286 1
1 317 . 10 1 1 A 44 44 LEU H H 65 8.560 8.459 0.101 1
1 318 . 10 1 1 A 44 44 LEU N N 65 115.630 118.415 -2.785 1
1 319 . 10 1 1 A 44 44 LEU HA H 65 3.700 3.974 -0.274 1
1 329 . 10 1 1 A 45 45 ASN H H 66 8.200 8.366 -0.166 1
1 330 . 10 1 1 A 45 45 ASN N N 66 112.510 114.260 -1.750 1
1 331 . 10 1 1 A 45 45 ASN HA H 66 4.460 4.666 -0.206 1
1 337 . 10 1 1 A 46 46 GLY H H 67 7.480 8.288 -0.808 1
1 338 . 10 1 1 A 46 46 GLY N N 67 111.910 105.321 6.589 1
1 339 . 10 1 1 A 46 46 GLY HA2 H 67 2.060 3.994 -1.934 1
1 340 . 10 1 1 A 46 46 GLY HA3 H 67 3.210 4.002 -0.792 1
1 341 . 10 1 1 A 47 47 GLN H H 68 6.470 8.430 -1.960 1
1 342 . 10 1 1 A 47 47 GLN N N 68 114.550 123.097 -8.547 1
1 343 . 10 1 1 A 47 47 GLN HA H 68 3.730 4.205 -0.475 1
1 351 . 10 1 1 A 48 48 GLY H H 69 8.680 8.751 -0.071 1
1 352 . 10 1 1 A 48 48 GLY N N 69 115.150 111.586 3.564 1
1 353 . 10 1 1 A 48 48 GLY HA2 H 69 3.440 3.824 -0.384 1
1 354 . 10 1 1 A 48 48 GLY HA3 H 69 3.740 3.826 -0.086 1
1 355 . 10 1 1 A 49 49 GLY H H 70 9.620 8.106 1.514 1
1 356 . 10 1 1 A 49 49 GLY N N 70 114.790 108.372 6.418 1
1 357 . 10 1 1 A 49 49 GLY HA2 H 70 3.850 3.980 -0.130 1
1 358 . 10 1 1 A 49 49 GLY HA3 H 70 3.980 3.982 -0.002 1
1 359 . 10 1 1 A 50 50 MET H H 71 8.100 8.159 -0.059 1
1 360 . 10 1 1 A 50 50 MET N N 71 125.230 120.613 4.617 1
1 361 . 10 1 1 A 50 50 MET HA H 71 3.060 4.765 -1.705 1
1 369 . 10 1 1 A 51 51 PRO HA H 72 3.740 4.574 -0.834 1
1 373 . 10 1 1 A 52 52 GLY H H 73 7.670 8.504 -0.834 1
1 374 . 10 1 1 A 52 52 GLY N N 73 103.400 108.601 -5.201 1
1 375 . 10 1 1 A 52 52 GLY HA2 H 73 2.660 4.044 -1.384 1
1 376 . 10 1 1 A 52 52 GLY HA3 H 73 3.060 4.050 -0.990 1
1 377 . 10 1 1 A 53 53 GLY H H 74 7.530 9.129 -1.599 1
1 378 . 10 1 1 A 53 53 GLY N N 74 106.030 112.162 -6.132 1
1 379 . 10 1 1 A 53 53 GLY HA2 H 74 3.370 3.968 -0.598 1
1 380 . 10 1 1 A 53 53 GLY HA3 H 74 3.560 3.969 -0.409 1
1 381 . 10 1 1 A 54 54 ILE H H 75 9.500 8.108 1.392 1
1 382 . 10 1 1 A 54 54 ILE N N 75 124.150 119.431 4.719 1
1 383 . 10 1 1 A 54 54 ILE HA H 75 3.370 3.880 -0.510 1
1 393 . 10 1 1 A 55 55 ALA H H 76 6.620 7.606 -0.986 1
1 394 . 10 1 1 A 55 55 ALA N N 76 113.950 120.303 -6.353 1
1 395 . 10 1 1 A 55 55 ALA HA H 76 4.420 5.071 -0.651 1
1 399 . 10 1 1 A 56 56 LYS H H 77 8.420 8.385 0.035 1
1 400 . 10 1 1 A 56 56 LYS N N 77 114.790 119.859 -5.069 1
1 401 . 10 1 1 A 56 56 LYS HA H 77 4.320 4.784 -0.464 1
1 407 . 10 1 1 A 57 57 GLY H H 78 8.420 8.765 -0.345 1
1 408 . 10 1 1 A 57 57 GLY N N 78 107.590 110.134 -2.544 1
1 409 . 10 1 1 A 57 57 GLY HA2 H 78 3.640 3.920 -0.280 1
1 410 . 10 1 1 A 57 57 GLY HA3 H 78 3.740 3.922 -0.182 1
1 411 . 10 1 1 A 58 58 ALA H H 79 8.690 8.749 -0.059 1
1 412 . 10 1 1 A 58 58 ALA N N 79 127.150 128.408 -1.258 1
1 413 . 10 1 1 A 58 58 ALA HA H 79 4.040 4.046 -0.006 1
1 417 . 10 1 1 A 59 59 GLU H H 80 8.200 8.074 0.126 1
1 418 . 10 1 1 A 59 59 GLU N N 80 117.910 118.335 -0.425 1
1 419 . 10 1 1 A 59 59 GLU HA H 80 3.890 3.983 -0.093 1
1 424 . 10 1 1 A 60 60 ALA H H 81 6.820 7.789 -0.969 1
1 425 . 10 1 1 A 60 60 ALA N N 81 120.190 120.888 -0.698 1
1 426 . 10 1 1 A 60 60 ALA HA H 81 3.520 4.122 -0.602 1
1 430 . 10 1 1 A 61 61 GLU H H 82 7.940 8.446 -0.506 1
1 431 . 10 1 1 A 61 61 GLU N N 82 114.910 118.579 -3.669 1
1 432 . 10 1 1 A 61 61 GLU HA H 82 3.730 4.040 -0.310 1
1 437 . 10 1 1 A 62 62 ALA H H 83 7.910 8.268 -0.358 1
1 438 . 10 1 1 A 62 62 ALA N N 83 120.670 122.508 -1.838 1
1 439 . 10 1 1 A 62 62 ALA HA H 83 4.190 4.137 0.053 1
1 443 . 10 1 1 A 63 63 VAL H H 84 8.130 8.260 -0.130 1
1 444 . 10 1 1 A 63 63 VAL N N 84 119.230 118.140 1.090 1
1 445 . 10 1 1 A 63 63 VAL HA H 84 3.610 3.753 -0.143 1
1 453 . 10 1 1 A 64 64 ALA H H 85 8.600 8.902 -0.302 1
1 454 . 10 1 1 A 64 64 ALA N N 85 121.750 121.582 0.168 1
1 455 . 10 1 1 A 64 64 ALA HA H 85 4.080 3.992 0.088 1
1 459 . 10 1 1 A 65 65 ALA H H 86 7.690 8.244 -0.554 1
1 460 . 10 1 1 A 65 65 ALA N N 86 117.310 119.123 -1.813 1
1 461 . 10 1 1 A 65 65 ALA HA H 86 3.860 4.042 -0.182 1
1 465 . 10 1 1 A 66 66 TRP H H 87 7.810 8.153 -0.343 1
1 466 . 10 1 1 A 66 66 TRP N N 87 119.230 121.024 -1.794 1
1 467 . 10 1 1 A 66 66 TRP HA H 87 4.180 4.307 -0.127 1
1 476 . 10 1 1 A 67 67 LEU H H 88 9.070 9.166 -0.096 1
1 477 . 10 1 1 A 67 67 LEU N N 88 118.630 120.811 -2.181 1
1 478 . 10 1 1 A 67 67 LEU HA H 88 3.760 3.152 0.608 1
1 488 . 10 1 1 A 68 68 ALA H H 89 8.100 8.468 -0.368 1
1 489 . 10 1 1 A 68 68 ALA N N 89 118.030 121.577 -3.547 1
1 490 . 10 1 1 A 68 68 ALA HA H 89 3.780 4.031 -0.251 1
1 494 . 10 1 1 A 69 69 GLU H H 90 6.710 8.579 -1.869 1
1 495 . 10 1 1 A 69 69 GLU N N 90 111.670 116.437 -4.767 1
1 496 . 10 1 1 A 69 69 GLU HA H 90 4.090 4.138 -0.048 1
1 501 . 10 1 1 A 70 70 LYS H H 91 7.460 7.647 -0.187 1
1 502 . 10 1 1 A 70 70 LYS N N 91 122.830 120.694 2.136 1
1 503 . 10 1 1 A 70 70 LYS HA H 91 3.980 3.848 0.132 1
1 9 . 11 1 1 A 2 2 ASP H H 23 8.490 8.652 -0.162 1
1 10 . 11 1 1 A 2 2 ASP N N 23 126.550 127.266 -0.716 1
1 11 . 11 1 1 A 2 2 ASP HA H 23 4.480 4.527 -0.047 1
1 14 . 11 1 1 A 3 3 ALA H H 24 8.280 8.126 0.154 1
1 15 . 11 1 1 A 3 3 ALA N N 24 126.910 128.338 -1.428 1
1 16 . 11 1 1 A 3 3 ALA HA H 24 3.420 3.814 -0.394 1
1 20 . 11 1 1 A 4 4 GLU H H 25 7.590 7.441 0.149 1
1 21 . 11 1 1 A 4 4 GLU N N 25 115.030 115.735 -0.705 1
1 22 . 11 1 1 A 4 4 GLU HA H 25 2.600 2.418 0.182 1
1 27 . 11 1 1 A 5 5 ALA H H 26 7.060 7.634 -0.574 1
1 28 . 11 1 1 A 5 5 ALA N N 26 120.430 121.727 -1.297 1
1 29 . 11 1 1 A 5 5 ALA HA H 26 3.910 3.968 -0.058 1
1 33 . 11 1 1 A 6 6 VAL H H 27 7.550 8.092 -0.542 1
1 34 . 11 1 1 A 6 6 VAL N N 27 118.870 118.350 0.520 1
1 35 . 11 1 1 A 6 6 VAL HA H 27 3.570 3.575 -0.005 1
1 43 . 11 1 1 A 7 7 VAL H H 28 8.090 8.100 -0.010 1
1 44 . 11 1 1 A 7 7 VAL N N 28 120.550 119.536 1.014 1
1 45 . 11 1 1 A 7 7 VAL HA H 28 4.010 3.749 0.261 1
1 53 . 11 1 1 A 8 8 GLN H H 29 7.830 8.366 -0.536 1
1 54 . 11 1 1 A 8 8 GLN N N 29 117.070 119.477 -2.407 1
1 55 . 11 1 1 A 8 8 GLN HA H 29 3.860 4.210 -0.350 1
1 63 . 11 1 1 A 9 9 GLN H H 30 7.640 8.152 -0.512 1
1 64 . 11 1 1 A 9 9 GLN N N 30 115.630 119.147 -3.517 1
1 65 . 11 1 1 A 9 9 GLN HA H 30 4.210 4.650 -0.440 1
1 73 . 11 1 1 A 10 10 LYS H H 31 8.760 8.109 0.651 1
1 74 . 11 1 1 A 10 10 LYS N N 31 113.830 117.929 -4.099 1
1 75 . 11 1 1 A 10 10 LYS HA H 31 4.860 4.447 0.413 1
1 83 . 11 1 1 A 11 11 CYS H H 32 8.770 8.575 0.195 1
1 84 . 11 1 1 A 11 11 CYS N N 32 114.980 115.658 -0.678 1
1 85 . 11 1 1 A 11 11 CYS HA H 32 6.040 4.656 1.384 1
1 88 . 11 1 1 A 12 12 ILE H H 33 6.960 8.010 -1.050 1
1 89 . 11 1 1 A 12 12 ILE N N 33 110.470 119.993 -9.523 1
1 90 . 11 1 1 A 12 12 ILE HA H 33 3.200 3.939 -0.739 1
1 97 . 11 1 1 A 13 13 SER H H 34 8.520 8.039 0.481 1
1 98 . 11 1 1 A 13 13 SER N N 34 119.350 117.620 1.730 1
1 99 . 11 1 1 A 13 13 SER HA H 34 3.870 4.114 -0.244 1
1 102 . 11 1 1 A 14 14 CYS H H 35 6.100 8.150 -2.050 1
1 103 . 11 1 1 A 14 14 CYS N N 35 114.670 117.089 -2.419 1
1 104 . 11 1 1 A 14 14 CYS HA H 35 4.370 4.544 -0.174 1
1 107 . 11 1 1 A 15 15 HIS H H 36 6.120 8.292 -2.172 1
1 108 . 11 1 1 A 15 15 HIS N N 36 112.870 116.639 -3.769 1
1 109 . 11 1 1 A 15 15 HIS HA H 36 2.580 4.536 -1.956 1
1 116 . 11 1 1 A 16 16 GLY H H 37 7.080 8.138 -1.058 1
1 117 . 11 1 1 A 16 16 GLY N N 37 106.750 107.800 -1.050 1
1 118 . 11 1 1 A 16 16 GLY HA2 H 37 3.200 4.001 -0.801 1
1 119 . 11 1 1 A 16 16 GLY HA3 H 37 3.920 4.006 -0.086 1
1 120 . 11 1 1 A 17 17 GLY H H 38 8.310 8.816 -0.506 1
1 121 . 11 1 1 A 17 17 GLY N N 38 108.070 110.372 -2.302 1
1 122 . 11 1 1 A 17 17 GLY HA2 H 38 3.440 3.888 -0.448 1
1 123 . 11 1 1 A 17 17 GLY HA3 H 38 3.670 3.897 -0.227 1
1 124 . 11 1 1 A 18 18 ASP H H 39 7.420 7.836 -0.416 1
1 125 . 11 1 1 A 18 18 ASP N N 39 115.870 120.870 -5.000 1
1 126 . 11 1 1 A 18 18 ASP HA H 39 4.460 4.787 -0.327 1
1 129 . 11 1 1 A 19 19 LEU H H 40 7.460 8.249 -0.789 1
1 130 . 11 1 1 A 19 19 LEU N N 40 109.030 116.370 -7.340 1
1 131 . 11 1 1 A 19 19 LEU HA H 40 3.150 4.115 -0.965 1
1 141 . 11 1 1 A 20 20 THR H H 41 7.390 8.162 -0.772 1
1 142 . 11 1 1 A 20 20 THR N N 41 105.670 110.968 -5.298 1
1 143 . 11 1 1 A 20 20 THR HA H 41 3.950 4.307 -0.357 1
1 148 . 11 1 1 A 21 21 GLY H H 42 7.610 8.275 -0.665 1
1 149 . 11 1 1 A 21 21 GLY N N 42 111.310 110.513 0.797 1
1 150 . 11 1 1 A 21 21 GLY HA2 H 42 2.600 4.094 -1.494 1
1 151 . 11 1 1 A 21 21 GLY HA3 H 42 3.980 4.127 -0.147 1
1 152 . 11 1 1 A 22 22 ALA H H 43 7.480 8.034 -0.554 1
1 153 . 11 1 1 A 22 22 ALA N N 43 125.590 126.163 -0.573 1
1 154 . 11 1 1 A 22 22 ALA HA H 43 3.980 4.467 -0.487 1
1 158 . 11 1 1 A 23 23 SER H H 44 7.760 8.227 -0.467 1
1 159 . 11 1 1 A 23 23 SER N N 44 118.630 112.578 6.052 1
1 160 . 11 1 1 A 23 23 SER HA H 44 4.080 4.563 -0.483 1
1 163 . 11 1 1 A 24 24 ALA H H 45 7.300 7.143 0.157 1
1 164 . 11 1 1 A 24 24 ALA N N 45 125.110 121.452 3.658 1
1 165 . 11 1 1 A 24 24 ALA HA H 45 4.170 4.720 -0.550 1
1 169 . 11 1 1 A 25 25 PRO HA H 46 3.910 4.623 -0.713 1
1 176 . 11 1 1 A 26 26 ALA H H 47 7.920 8.348 -0.428 1
1 177 . 11 1 1 A 26 26 ALA N N 47 120.310 124.580 -4.270 1
1 178 . 11 1 1 A 26 26 ALA HA H 47 3.370 4.415 -1.045 1
1 182 . 11 1 1 A 27 27 ILE H H 48 7.770 8.621 -0.851 1
1 183 . 11 1 1 A 27 27 ILE N N 48 112.150 118.979 -6.829 1
1 184 . 11 1 1 A 27 27 ILE HA H 48 4.170 4.498 -0.328 1
1 194 . 11 1 1 A 28 28 ASP H H 49 8.250 8.681 -0.431 1
1 195 . 11 1 1 A 28 28 ASP N N 49 119.980 123.529 -3.549 1
1 196 . 11 1 1 A 28 28 ASP HA H 49 3.600 4.183 -0.583 1
1 199 . 11 1 1 A 29 29 LYS H H 50 7.720 7.659 0.061 1
1 200 . 11 1 1 A 29 29 LYS N N 50 117.430 118.149 -0.719 1
1 201 . 11 1 1 A 29 29 LYS HA H 50 4.220 4.299 -0.079 1
1 209 . 11 1 1 A 30 30 ALA H H 51 7.130 8.241 -1.111 1
1 210 . 11 1 1 A 30 30 ALA N N 51 121.030 122.658 -1.628 1
1 211 . 11 1 1 A 30 30 ALA HA H 51 4.240 3.827 0.413 1
1 215 . 11 1 1 A 31 31 GLY H H 52 8.290 8.204 0.086 1
1 216 . 11 1 1 A 31 31 GLY N N 52 103.990 105.289 -1.299 1
1 217 . 11 1 1 A 31 31 GLY HA2 H 52 3.670 3.755 -0.085 1
1 218 . 11 1 1 A 31 31 GLY HA3 H 52 4.370 3.800 0.570 1
1 219 . 11 1 1 A 32 32 ALA H H 53 7.970 8.037 -0.067 1
1 220 . 11 1 1 A 32 32 ALA N N 53 120.670 124.660 -3.990 1
1 221 . 11 1 1 A 32 32 ALA HA H 53 4.160 3.958 0.202 1
1 225 . 11 1 1 A 33 33 ASN H H 54 7.490 8.000 -0.510 1
1 226 . 11 1 1 A 33 33 ASN N N 54 113.350 114.704 -1.354 1
1 227 . 11 1 1 A 33 33 ASN HA H 54 4.590 4.506 0.084 1
1 233 . 11 1 1 A 34 34 TYR H H 55 8.070 8.000 0.070 1
1 234 . 11 1 1 A 34 34 TYR N N 55 118.270 115.439 2.831 1
1 235 . 11 1 1 A 34 34 TYR HA H 55 5.020 5.282 -0.262 1
1 240 . 11 1 1 A 35 35 SER H H 56 9.110 9.232 -0.122 1
1 241 . 11 1 1 A 35 35 SER N N 56 114.910 116.473 -1.563 1
1 242 . 11 1 1 A 35 35 SER HA H 56 4.560 4.885 -0.325 1
1 245 . 11 1 1 A 36 36 GLU H H 57 9.020 9.133 -0.113 1
1 246 . 11 1 1 A 36 36 GLU N N 57 121.630 123.849 -2.219 1
1 247 . 11 1 1 A 36 36 GLU HA H 57 3.670 4.052 -0.382 1
1 251 . 11 1 1 A 37 37 GLU H H 58 8.680 8.255 0.425 1
1 252 . 11 1 1 A 37 37 GLU N N 58 116.230 119.460 -3.230 1
1 253 . 11 1 1 A 37 37 GLU HA H 58 3.810 4.097 -0.287 1
1 258 . 11 1 1 A 38 38 GLU H H 59 7.710 8.142 -0.432 1
1 259 . 11 1 1 A 38 38 GLU N N 59 120.070 119.651 0.419 1
1 260 . 11 1 1 A 38 38 GLU HA H 59 3.940 4.013 -0.073 1
1 265 . 11 1 1 A 39 39 ILE H H 60 8.370 8.262 0.108 1
1 266 . 11 1 1 A 39 39 ILE N N 60 119.710 121.062 -1.352 1
1 267 . 11 1 1 A 39 39 ILE HA H 60 3.360 3.640 -0.280 1
1 276 . 11 1 1 A 40 40 LEU H H 61 8.380 8.558 -0.178 1
1 277 . 11 1 1 A 40 40 LEU N N 61 119.710 121.444 -1.734 1
1 278 . 11 1 1 A 40 40 LEU HA H 61 3.690 3.965 -0.275 1
1 288 . 11 1 1 A 41 41 ASP H H 62 7.410 8.442 -1.032 1
1 289 . 11 1 1 A 41 41 ASP N N 62 116.590 118.334 -1.744 1
1 290 . 11 1 1 A 41 41 ASP HA H 62 4.010 4.260 -0.250 1
1 293 . 11 1 1 A 42 42 ILE H H 63 7.240 8.472 -1.232 1
1 294 . 11 1 1 A 42 42 ILE N N 63 120.430 118.539 1.891 1
1 295 . 11 1 1 A 42 42 ILE HA H 63 2.540 3.639 -1.099 1
1 305 . 11 1 1 A 43 43 ILE H H 64 7.550 8.416 -0.866 1
1 306 . 11 1 1 A 43 43 ILE N N 64 116.230 121.102 -4.872 1
1 307 . 11 1 1 A 43 43 ILE HA H 64 2.250 3.562 -1.312 1
1 317 . 11 1 1 A 44 44 LEU H H 65 8.560 8.664 -0.104 1
1 318 . 11 1 1 A 44 44 LEU N N 65 115.630 118.306 -2.676 1
1 319 . 11 1 1 A 44 44 LEU HA H 65 3.700 4.081 -0.381 1
1 329 . 11 1 1 A 45 45 ASN H H 66 8.200 8.251 -0.051 1
1 330 . 11 1 1 A 45 45 ASN N N 66 112.510 115.037 -2.527 1
1 331 . 11 1 1 A 45 45 ASN HA H 66 4.460 4.750 -0.290 1
1 337 . 11 1 1 A 46 46 GLY H H 67 7.480 7.988 -0.508 1
1 338 . 11 1 1 A 46 46 GLY N N 67 111.910 105.054 6.856 1
1 339 . 11 1 1 A 46 46 GLY HA2 H 67 2.060 4.086 -2.026 1
1 340 . 11 1 1 A 46 46 GLY HA3 H 67 3.210 4.096 -0.886 1
1 341 . 11 1 1 A 47 47 GLN H H 68 6.470 8.572 -2.102 1
1 342 . 11 1 1 A 47 47 GLN N N 68 114.550 124.033 -9.483 1
1 343 . 11 1 1 A 47 47 GLN HA H 68 3.730 4.189 -0.459 1
1 351 . 11 1 1 A 48 48 GLY H H 69 8.680 8.745 -0.065 1
1 352 . 11 1 1 A 48 48 GLY N N 69 115.150 111.485 3.665 1
1 353 . 11 1 1 A 48 48 GLY HA2 H 69 3.440 3.825 -0.385 1
1 354 . 11 1 1 A 48 48 GLY HA3 H 69 3.740 3.827 -0.087 1
1 355 . 11 1 1 A 49 49 GLY H H 70 9.620 8.115 1.505 1
1 356 . 11 1 1 A 49 49 GLY N N 70 114.790 108.172 6.618 1
1 357 . 11 1 1 A 49 49 GLY HA2 H 70 3.850 3.945 -0.095 1
1 358 . 11 1 1 A 49 49 GLY HA3 H 70 3.980 3.946 0.034 1
1 359 . 11 1 1 A 50 50 MET H H 71 8.100 7.951 0.149 1
1 360 . 11 1 1 A 50 50 MET N N 71 125.230 119.830 5.400 1
1 361 . 11 1 1 A 50 50 MET HA H 71 3.060 4.824 -1.764 1
1 369 . 11 1 1 A 51 51 PRO HA H 72 3.740 4.392 -0.652 1
1 373 . 11 1 1 A 52 52 GLY H H 73 7.670 8.303 -0.633 1
1 374 . 11 1 1 A 52 52 GLY N N 73 103.400 109.159 -5.759 1
1 375 . 11 1 1 A 52 52 GLY HA2 H 73 2.660 4.064 -1.404 1
1 376 . 11 1 1 A 52 52 GLY HA3 H 73 3.060 4.073 -1.013 1
1 377 . 11 1 1 A 53 53 GLY H H 74 7.530 9.109 -1.579 1
1 378 . 11 1 1 A 53 53 GLY N N 74 106.030 109.468 -3.438 1
1 379 . 11 1 1 A 53 53 GLY HA2 H 74 3.370 3.930 -0.560 1
1 380 . 11 1 1 A 53 53 GLY HA3 H 74 3.560 3.932 -0.372 1
1 381 . 11 1 1 A 54 54 ILE H H 75 9.500 8.130 1.370 1
1 382 . 11 1 1 A 54 54 ILE N N 75 124.150 118.665 5.485 1
1 383 . 11 1 1 A 54 54 ILE HA H 75 3.370 3.932 -0.562 1
1 393 . 11 1 1 A 55 55 ALA H H 76 6.620 7.591 -0.971 1
1 394 . 11 1 1 A 55 55 ALA N N 76 113.950 120.400 -6.450 1
1 395 . 11 1 1 A 55 55 ALA HA H 76 4.420 5.041 -0.621 1
1 399 . 11 1 1 A 56 56 LYS H H 77 8.420 8.849 -0.429 1
1 400 . 11 1 1 A 56 56 LYS N N 77 114.790 119.867 -5.077 1
1 401 . 11 1 1 A 56 56 LYS HA H 77 4.320 4.791 -0.471 1
1 407 . 11 1 1 A 57 57 GLY H H 78 8.420 8.730 -0.310 1
1 408 . 11 1 1 A 57 57 GLY N N 78 107.590 110.030 -2.440 1
1 409 . 11 1 1 A 57 57 GLY HA2 H 78 3.640 3.922 -0.282 1
1 410 . 11 1 1 A 57 57 GLY HA3 H 78 3.740 3.924 -0.184 1
1 411 . 11 1 1 A 58 58 ALA H H 79 8.690 8.719 -0.029 1
1 412 . 11 1 1 A 58 58 ALA N N 79 127.150 128.181 -1.031 1
1 413 . 11 1 1 A 58 58 ALA HA H 79 4.040 4.035 0.005 1
1 417 . 11 1 1 A 59 59 GLU H H 80 8.200 7.996 0.204 1
1 418 . 11 1 1 A 59 59 GLU N N 80 117.910 117.897 0.013 1
1 419 . 11 1 1 A 59 59 GLU HA H 80 3.890 4.006 -0.116 1
1 424 . 11 1 1 A 60 60 ALA H H 81 6.820 7.793 -0.973 1
1 425 . 11 1 1 A 60 60 ALA N N 81 120.190 120.820 -0.630 1
1 426 . 11 1 1 A 60 60 ALA HA H 81 3.520 4.095 -0.575 1
1 430 . 11 1 1 A 61 61 GLU H H 82 7.940 8.485 -0.545 1
1 431 . 11 1 1 A 61 61 GLU N N 82 114.910 118.632 -3.722 1
1 432 . 11 1 1 A 61 61 GLU HA H 82 3.730 4.056 -0.326 1
1 437 . 11 1 1 A 62 62 ALA H H 83 7.910 8.082 -0.172 1
1 438 . 11 1 1 A 62 62 ALA N N 83 120.670 122.206 -1.536 1
1 439 . 11 1 1 A 62 62 ALA HA H 83 4.190 4.146 0.044 1
1 443 . 11 1 1 A 63 63 VAL H H 84 8.130 8.309 -0.179 1
1 444 . 11 1 1 A 63 63 VAL N N 84 119.230 118.222 1.008 1
1 445 . 11 1 1 A 63 63 VAL HA H 84 3.610 3.787 -0.177 1
1 453 . 11 1 1 A 64 64 ALA H H 85 8.600 8.867 -0.267 1
1 454 . 11 1 1 A 64 64 ALA N N 85 121.750 121.587 0.163 1
1 455 . 11 1 1 A 64 64 ALA HA H 85 4.080 3.975 0.105 1
1 459 . 11 1 1 A 65 65 ALA H H 86 7.690 7.937 -0.247 1
1 460 . 11 1 1 A 65 65 ALA N N 86 117.310 119.252 -1.942 1
1 461 . 11 1 1 A 65 65 ALA HA H 86 3.860 4.050 -0.190 1
1 465 . 11 1 1 A 66 66 TRP H H 87 7.810 8.431 -0.621 1
1 466 . 11 1 1 A 66 66 TRP N N 87 119.230 121.137 -1.907 1
1 467 . 11 1 1 A 66 66 TRP HA H 87 4.180 4.211 -0.031 1
1 476 . 11 1 1 A 67 67 LEU H H 88 9.070 8.906 0.164 1
1 477 . 11 1 1 A 67 67 LEU N N 88 118.630 120.896 -2.266 1
1 478 . 11 1 1 A 67 67 LEU HA H 88 3.760 3.416 0.344 1
1 488 . 11 1 1 A 68 68 ALA H H 89 8.100 8.327 -0.227 1
1 489 . 11 1 1 A 68 68 ALA N N 89 118.030 120.402 -2.372 1
1 490 . 11 1 1 A 68 68 ALA HA H 89 3.780 3.991 -0.211 1
1 494 . 11 1 1 A 69 69 GLU H H 90 6.710 7.672 -0.962 1
1 495 . 11 1 1 A 69 69 GLU N N 90 111.670 118.079 -6.409 1
1 496 . 11 1 1 A 69 69 GLU HA H 90 4.090 4.055 0.035 1
1 501 . 11 1 1 A 70 70 LYS H H 91 7.460 7.640 -0.180 1
1 502 . 11 1 1 A 70 70 LYS N N 91 122.830 119.267 3.563 1
1 503 . 11 1 1 A 70 70 LYS HA H 91 3.980 3.867 0.113 1
1 9 . 12 1 1 A 2 2 ASP H H 23 8.490 8.829 -0.339 1
1 10 . 12 1 1 A 2 2 ASP N N 23 126.550 128.017 -1.467 1
1 11 . 12 1 1 A 2 2 ASP HA H 23 4.480 4.543 -0.063 1
1 14 . 12 1 1 A 3 3 ALA H H 24 8.280 8.131 0.149 1
1 15 . 12 1 1 A 3 3 ALA N N 24 126.910 128.078 -1.168 1
1 16 . 12 1 1 A 3 3 ALA HA H 24 3.420 3.826 -0.406 1
1 20 . 12 1 1 A 4 4 GLU H H 25 7.590 7.522 0.068 1
1 21 . 12 1 1 A 4 4 GLU N N 25 115.030 116.323 -1.293 1
1 22 . 12 1 1 A 4 4 GLU HA H 25 2.600 2.334 0.266 1
1 27 . 12 1 1 A 5 5 ALA H H 26 7.060 7.667 -0.607 1
1 28 . 12 1 1 A 5 5 ALA N N 26 120.430 121.996 -1.566 1
1 29 . 12 1 1 A 5 5 ALA HA H 26 3.910 3.977 -0.067 1
1 33 . 12 1 1 A 6 6 VAL H H 27 7.550 8.032 -0.482 1
1 34 . 12 1 1 A 6 6 VAL N N 27 118.870 118.487 0.383 1
1 35 . 12 1 1 A 6 6 VAL HA H 27 3.570 3.576 -0.006 1
1 43 . 12 1 1 A 7 7 VAL H H 28 8.090 7.902 0.188 1
1 44 . 12 1 1 A 7 7 VAL N N 28 120.550 119.363 1.187 1
1 45 . 12 1 1 A 7 7 VAL HA H 28 4.010 4.180 -0.170 1
1 53 . 12 1 1 A 8 8 GLN H H 29 7.830 8.029 -0.199 1
1 54 . 12 1 1 A 8 8 GLN N N 29 117.070 119.762 -2.692 1
1 55 . 12 1 1 A 8 8 GLN HA H 29 3.860 4.364 -0.504 1
1 63 . 12 1 1 A 9 9 GLN H H 30 7.640 7.942 -0.302 1
1 64 . 12 1 1 A 9 9 GLN N N 30 115.630 118.766 -3.136 1
1 65 . 12 1 1 A 9 9 GLN HA H 30 4.210 4.612 -0.402 1
1 73 . 12 1 1 A 10 10 LYS H H 31 8.760 8.570 0.190 1
1 74 . 12 1 1 A 10 10 LYS N N 31 113.830 117.584 -3.754 1
1 75 . 12 1 1 A 10 10 LYS HA H 31 4.860 4.412 0.448 1
1 83 . 12 1 1 A 11 11 CYS H H 32 8.770 8.108 0.662 1
1 84 . 12 1 1 A 11 11 CYS N N 32 114.980 116.235 -1.255 1
1 85 . 12 1 1 A 11 11 CYS HA H 32 6.040 4.689 1.351 1
1 88 . 12 1 1 A 12 12 ILE H H 33 6.960 8.132 -1.172 1
1 89 . 12 1 1 A 12 12 ILE N N 33 110.470 120.242 -9.772 1
1 90 . 12 1 1 A 12 12 ILE HA H 33 3.200 3.956 -0.756 1
1 97 . 12 1 1 A 13 13 SER H H 34 8.520 8.239 0.281 1
1 98 . 12 1 1 A 13 13 SER N N 34 119.350 116.631 2.719 1
1 99 . 12 1 1 A 13 13 SER HA H 34 3.870 3.997 -0.127 1
1 102 . 12 1 1 A 14 14 CYS H H 35 6.100 7.858 -1.758 1
1 103 . 12 1 1 A 14 14 CYS N N 35 114.670 117.762 -3.092 1
1 104 . 12 1 1 A 14 14 CYS HA H 35 4.370 4.539 -0.169 1
1 107 . 12 1 1 A 15 15 HIS H H 36 6.120 8.140 -2.020 1
1 108 . 12 1 1 A 15 15 HIS N N 36 112.870 116.479 -3.609 1
1 109 . 12 1 1 A 15 15 HIS HA H 36 2.580 4.485 -1.905 1
1 116 . 12 1 1 A 16 16 GLY H H 37 7.080 8.117 -1.037 1
1 117 . 12 1 1 A 16 16 GLY N N 37 106.750 107.554 -0.804 1
1 118 . 12 1 1 A 16 16 GLY HA2 H 37 3.200 3.996 -0.796 1
1 119 . 12 1 1 A 16 16 GLY HA3 H 37 3.920 4.003 -0.083 1
1 120 . 12 1 1 A 17 17 GLY H H 38 8.310 8.853 -0.543 1
1 121 . 12 1 1 A 17 17 GLY N N 38 108.070 109.960 -1.890 1
1 122 . 12 1 1 A 17 17 GLY HA2 H 38 3.440 3.889 -0.449 1
1 123 . 12 1 1 A 17 17 GLY HA3 H 38 3.670 3.897 -0.227 1
1 124 . 12 1 1 A 18 18 ASP H H 39 7.420 7.822 -0.402 1
1 125 . 12 1 1 A 18 18 ASP N N 39 115.870 120.927 -5.057 1
1 126 . 12 1 1 A 18 18 ASP HA H 39 4.460 4.792 -0.332 1
1 129 . 12 1 1 A 19 19 LEU H H 40 7.460 8.254 -0.794 1
1 130 . 12 1 1 A 19 19 LEU N N 40 109.030 116.294 -7.264 1
1 131 . 12 1 1 A 19 19 LEU HA H 40 3.150 4.106 -0.956 1
1 141 . 12 1 1 A 20 20 THR H H 41 7.390 8.177 -0.787 1
1 142 . 12 1 1 A 20 20 THR N N 41 105.670 111.010 -5.340 1
1 143 . 12 1 1 A 20 20 THR HA H 41 3.950 4.330 -0.380 1
1 148 . 12 1 1 A 21 21 GLY H H 42 7.610 8.084 -0.474 1
1 149 . 12 1 1 A 21 21 GLY N N 42 111.310 110.046 1.264 1
1 150 . 12 1 1 A 21 21 GLY HA2 H 42 2.600 4.041 -1.441 1
1 151 . 12 1 1 A 21 21 GLY HA3 H 42 3.980 4.080 -0.100 1
1 152 . 12 1 1 A 22 22 ALA H H 43 7.480 8.068 -0.588 1
1 153 . 12 1 1 A 22 22 ALA N N 43 125.590 122.211 3.379 1
1 154 . 12 1 1 A 22 22 ALA HA H 43 3.980 4.174 -0.194 1
1 158 . 12 1 1 A 23 23 SER H H 44 7.760 8.361 -0.601 1
1 159 . 12 1 1 A 23 23 SER N N 44 118.630 111.814 6.816 1
1 160 . 12 1 1 A 23 23 SER HA H 44 4.080 4.461 -0.381 1
1 163 . 12 1 1 A 24 24 ALA H H 45 7.300 7.575 -0.275 1
1 164 . 12 1 1 A 24 24 ALA N N 45 125.110 121.257 3.853 1
1 165 . 12 1 1 A 24 24 ALA HA H 45 4.170 4.797 -0.627 1
1 169 . 12 1 1 A 25 25 PRO HA H 46 3.910 4.621 -0.711 1
1 176 . 12 1 1 A 26 26 ALA H H 47 7.920 8.351 -0.431 1
1 177 . 12 1 1 A 26 26 ALA N N 47 120.310 124.832 -4.522 1
1 178 . 12 1 1 A 26 26 ALA HA H 47 3.370 4.446 -1.076 1
1 182 . 12 1 1 A 27 27 ILE H H 48 7.770 8.593 -0.823 1
1 183 . 12 1 1 A 27 27 ILE N N 48 112.150 119.345 -7.195 1
1 184 . 12 1 1 A 27 27 ILE HA H 48 4.170 4.528 -0.358 1
1 194 . 12 1 1 A 28 28 ASP H H 49 8.250 8.358 -0.108 1
1 195 . 12 1 1 A 28 28 ASP N N 49 119.980 123.918 -3.938 1
1 196 . 12 1 1 A 28 28 ASP HA H 49 3.600 4.261 -0.661 1
1 199 . 12 1 1 A 29 29 LYS H H 50 7.720 7.551 0.169 1
1 200 . 12 1 1 A 29 29 LYS N N 50 117.430 118.236 -0.806 1
1 201 . 12 1 1 A 29 29 LYS HA H 50 4.220 4.283 -0.063 1
1 209 . 12 1 1 A 30 30 ALA H H 51 7.130 8.162 -1.032 1
1 210 . 12 1 1 A 30 30 ALA N N 51 121.030 122.699 -1.669 1
1 211 . 12 1 1 A 30 30 ALA HA H 51 4.240 3.846 0.394 1
1 215 . 12 1 1 A 31 31 GLY H H 52 8.290 8.293 -0.003 1
1 216 . 12 1 1 A 31 31 GLY N N 52 103.990 105.255 -1.265 1
1 217 . 12 1 1 A 31 31 GLY HA2 H 52 3.670 3.757 -0.087 1
1 218 . 12 1 1 A 31 31 GLY HA3 H 52 4.370 3.806 0.564 1
1 219 . 12 1 1 A 32 32 ALA H H 53 7.970 8.041 -0.071 1
1 220 . 12 1 1 A 32 32 ALA N N 53 120.670 124.588 -3.918 1
1 221 . 12 1 1 A 32 32 ALA HA H 53 4.160 3.951 0.209 1
1 225 . 12 1 1 A 33 33 ASN H H 54 7.490 7.733 -0.243 1
1 226 . 12 1 1 A 33 33 ASN N N 54 113.350 114.198 -0.848 1
1 227 . 12 1 1 A 33 33 ASN HA H 54 4.590 4.569 0.021 1
1 233 . 12 1 1 A 34 34 TYR H H 55 8.070 8.033 0.037 1
1 234 . 12 1 1 A 34 34 TYR N N 55 118.270 115.405 2.865 1
1 235 . 12 1 1 A 34 34 TYR HA H 55 5.020 5.426 -0.406 1
1 240 . 12 1 1 A 35 35 SER H H 56 9.110 9.500 -0.390 1
1 241 . 12 1 1 A 35 35 SER N N 56 114.910 118.698 -3.788 1
1 242 . 12 1 1 A 35 35 SER HA H 56 4.560 4.753 -0.193 1
1 245 . 12 1 1 A 36 36 GLU H H 57 9.020 9.064 -0.044 1
1 246 . 12 1 1 A 36 36 GLU N N 57 121.630 123.296 -1.666 1
1 247 . 12 1 1 A 36 36 GLU HA H 57 3.670 4.059 -0.389 1
1 251 . 12 1 1 A 37 37 GLU H H 58 8.680 8.388 0.292 1
1 252 . 12 1 1 A 37 37 GLU N N 58 116.230 119.379 -3.149 1
1 253 . 12 1 1 A 37 37 GLU HA H 58 3.810 4.101 -0.291 1
1 258 . 12 1 1 A 38 38 GLU H H 59 7.710 7.902 -0.192 1
1 259 . 12 1 1 A 38 38 GLU N N 59 120.070 119.621 0.449 1
1 260 . 12 1 1 A 38 38 GLU HA H 59 3.940 4.031 -0.091 1
1 265 . 12 1 1 A 39 39 ILE H H 60 8.370 8.144 0.226 1
1 266 . 12 1 1 A 39 39 ILE N N 60 119.710 121.096 -1.386 1
1 267 . 12 1 1 A 39 39 ILE HA H 60 3.360 3.652 -0.292 1
1 276 . 12 1 1 A 40 40 LEU H H 61 8.380 8.550 -0.170 1
1 277 . 12 1 1 A 40 40 LEU N N 61 119.710 121.416 -1.706 1
1 278 . 12 1 1 A 40 40 LEU HA H 61 3.690 3.966 -0.276 1
1 288 . 12 1 1 A 41 41 ASP H H 62 7.410 8.269 -0.859 1
1 289 . 12 1 1 A 41 41 ASP N N 62 116.590 118.315 -1.725 1
1 290 . 12 1 1 A 41 41 ASP HA H 62 4.010 4.256 -0.246 1
1 293 . 12 1 1 A 42 42 ILE H H 63 7.240 8.414 -1.174 1
1 294 . 12 1 1 A 42 42 ILE N N 63 120.430 118.385 2.045 1
1 295 . 12 1 1 A 42 42 ILE HA H 63 2.540 3.676 -1.136 1
1 305 . 12 1 1 A 43 43 ILE H H 64 7.550 8.430 -0.880 1
1 306 . 12 1 1 A 43 43 ILE N N 64 116.230 121.080 -4.850 1
1 307 . 12 1 1 A 43 43 ILE HA H 64 2.250 3.570 -1.320 1
1 317 . 12 1 1 A 44 44 LEU H H 65 8.560 8.463 0.097 1
1 318 . 12 1 1 A 44 44 LEU N N 65 115.630 119.051 -3.421 1
1 319 . 12 1 1 A 44 44 LEU HA H 65 3.700 3.998 -0.298 1
1 329 . 12 1 1 A 45 45 ASN H H 66 8.200 8.487 -0.287 1
1 330 . 12 1 1 A 45 45 ASN N N 66 112.510 114.521 -2.011 1
1 331 . 12 1 1 A 45 45 ASN HA H 66 4.460 4.717 -0.257 1
1 337 . 12 1 1 A 46 46 GLY H H 67 7.480 8.144 -0.664 1
1 338 . 12 1 1 A 46 46 GLY N N 67 111.910 105.691 6.219 1
1 339 . 12 1 1 A 46 46 GLY HA2 H 67 2.060 4.038 -1.978 1
1 340 . 12 1 1 A 46 46 GLY HA3 H 67 3.210 4.047 -0.837 1
1 341 . 12 1 1 A 47 47 GLN H H 68 6.470 8.334 -1.864 1
1 342 . 12 1 1 A 47 47 GLN N N 68 114.550 119.675 -5.125 1
1 343 . 12 1 1 A 47 47 GLN HA H 68 3.730 4.968 -1.238 1
1 351 . 12 1 1 A 48 48 GLY H H 69 8.680 8.913 -0.233 1
1 352 . 12 1 1 A 48 48 GLY N N 69 115.150 111.964 3.186 1
1 353 . 12 1 1 A 48 48 GLY HA2 H 69 3.440 3.786 -0.346 1
1 354 . 12 1 1 A 48 48 GLY HA3 H 69 3.740 3.789 -0.049 1
1 355 . 12 1 1 A 49 49 GLY H H 70 9.620 8.121 1.499 1
1 356 . 12 1 1 A 49 49 GLY N N 70 114.790 108.529 6.261 1
1 357 . 12 1 1 A 49 49 GLY HA2 H 70 3.850 3.939 -0.089 1
1 358 . 12 1 1 A 49 49 GLY HA3 H 70 3.980 3.942 0.038 1
1 359 . 12 1 1 A 50 50 MET H H 71 8.100 8.084 0.016 1
1 360 . 12 1 1 A 50 50 MET N N 71 125.230 119.798 5.432 1
1 361 . 12 1 1 A 50 50 MET HA H 71 3.060 4.979 -1.919 1
1 369 . 12 1 1 A 51 51 PRO HA H 72 3.740 4.506 -0.766 1
1 373 . 12 1 1 A 52 52 GLY H H 73 7.670 8.667 -0.997 1
1 374 . 12 1 1 A 52 52 GLY N N 73 103.400 107.913 -4.513 1
1 375 . 12 1 1 A 52 52 GLY HA2 H 73 2.660 4.183 -1.523 1
1 376 . 12 1 1 A 52 52 GLY HA3 H 73 3.060 4.190 -1.130 1
1 377 . 12 1 1 A 53 53 GLY H H 74 7.530 8.909 -1.379 1
1 378 . 12 1 1 A 53 53 GLY N N 74 106.030 112.203 -6.173 1
1 379 . 12 1 1 A 53 53 GLY HA2 H 74 3.370 4.044 -0.674 1
1 380 . 12 1 1 A 53 53 GLY HA3 H 74 3.560 4.046 -0.486 1
1 381 . 12 1 1 A 54 54 ILE H H 75 9.500 8.121 1.379 1
1 382 . 12 1 1 A 54 54 ILE N N 75 124.150 119.515 4.635 1
1 383 . 12 1 1 A 54 54 ILE HA H 75 3.370 3.874 -0.504 1
1 393 . 12 1 1 A 55 55 ALA H H 76 6.620 7.556 -0.936 1
1 394 . 12 1 1 A 55 55 ALA N N 76 113.950 120.347 -6.397 1
1 395 . 12 1 1 A 55 55 ALA HA H 76 4.420 4.884 -0.464 1
1 399 . 12 1 1 A 56 56 LYS H H 77 8.420 8.594 -0.174 1
1 400 . 12 1 1 A 56 56 LYS N N 77 114.790 120.718 -5.928 1
1 401 . 12 1 1 A 56 56 LYS HA H 77 4.320 4.805 -0.485 1
1 407 . 12 1 1 A 57 57 GLY H H 78 8.420 8.769 -0.349 1
1 408 . 12 1 1 A 57 57 GLY N N 78 107.590 110.056 -2.466 1
1 409 . 12 1 1 A 57 57 GLY HA2 H 78 3.640 3.918 -0.278 1
1 410 . 12 1 1 A 57 57 GLY HA3 H 78 3.740 3.920 -0.180 1
1 411 . 12 1 1 A 58 58 ALA H H 79 8.690 8.718 -0.028 1
1 412 . 12 1 1 A 58 58 ALA N N 79 127.150 128.373 -1.223 1
1 413 . 12 1 1 A 58 58 ALA HA H 79 4.040 4.040 0.000 1
1 417 . 12 1 1 A 59 59 GLU H H 80 8.200 7.977 0.223 1
1 418 . 12 1 1 A 59 59 GLU N N 80 117.910 118.230 -0.320 1
1 419 . 12 1 1 A 59 59 GLU HA H 80 3.890 3.997 -0.107 1
1 424 . 12 1 1 A 60 60 ALA H H 81 6.820 7.858 -1.038 1
1 425 . 12 1 1 A 60 60 ALA N N 81 120.190 121.063 -0.873 1
1 426 . 12 1 1 A 60 60 ALA HA H 81 3.520 4.101 -0.581 1
1 430 . 12 1 1 A 61 61 GLU H H 82 7.940 8.386 -0.446 1
1 431 . 12 1 1 A 61 61 GLU N N 82 114.910 118.563 -3.653 1
1 432 . 12 1 1 A 61 61 GLU HA H 82 3.730 4.044 -0.314 1
1 437 . 12 1 1 A 62 62 ALA H H 83 7.910 8.238 -0.328 1
1 438 . 12 1 1 A 62 62 ALA N N 83 120.670 122.193 -1.523 1
1 439 . 12 1 1 A 62 62 ALA HA H 83 4.190 4.121 0.069 1
1 443 . 12 1 1 A 63 63 VAL H H 84 8.130 8.272 -0.142 1
1 444 . 12 1 1 A 63 63 VAL N N 84 119.230 118.248 0.982 1
1 445 . 12 1 1 A 63 63 VAL HA H 84 3.610 3.731 -0.121 1
1 453 . 12 1 1 A 64 64 ALA H H 85 8.600 8.902 -0.302 1
1 454 . 12 1 1 A 64 64 ALA N N 85 121.750 121.487 0.263 1
1 455 . 12 1 1 A 64 64 ALA HA H 85 4.080 3.960 0.120 1
1 459 . 12 1 1 A 65 65 ALA H H 86 7.690 8.263 -0.573 1
1 460 . 12 1 1 A 65 65 ALA N N 86 117.310 118.896 -1.586 1
1 461 . 12 1 1 A 65 65 ALA HA H 86 3.860 4.056 -0.196 1
1 465 . 12 1 1 A 66 66 TRP H H 87 7.810 8.300 -0.490 1
1 466 . 12 1 1 A 66 66 TRP N N 87 119.230 120.793 -1.563 1
1 467 . 12 1 1 A 66 66 TRP HA H 87 4.180 4.219 -0.039 1
1 476 . 12 1 1 A 67 67 LEU H H 88 9.070 8.732 0.338 1
1 477 . 12 1 1 A 67 67 LEU N N 88 118.630 121.157 -2.527 1
1 478 . 12 1 1 A 67 67 LEU HA H 88 3.760 3.667 0.093 1
1 488 . 12 1 1 A 68 68 ALA H H 89 8.100 8.749 -0.649 1
1 489 . 12 1 1 A 68 68 ALA N N 89 118.030 121.022 -2.992 1
1 490 . 12 1 1 A 68 68 ALA HA H 89 3.780 3.907 -0.127 1
1 494 . 12 1 1 A 69 69 GLU H H 90 6.710 7.967 -1.257 1
1 495 . 12 1 1 A 69 69 GLU N N 90 111.670 117.885 -6.215 1
1 496 . 12 1 1 A 69 69 GLU HA H 90 4.090 4.018 0.072 1
1 501 . 12 1 1 A 70 70 LYS H H 91 7.460 7.625 -0.165 1
1 502 . 12 1 1 A 70 70 LYS N N 91 122.830 118.735 4.095 1
1 503 . 12 1 1 A 70 70 LYS HA H 91 3.980 3.890 0.090 1
1 9 . 13 1 1 A 2 2 ASP H H 23 8.490 8.613 -0.123 1
1 10 . 13 1 1 A 2 2 ASP N N 23 126.550 127.247 -0.697 1
1 11 . 13 1 1 A 2 2 ASP HA H 23 4.480 4.528 -0.048 1
1 14 . 13 1 1 A 3 3 ALA H H 24 8.280 8.466 -0.186 1
1 15 . 13 1 1 A 3 3 ALA N N 24 126.910 128.362 -1.452 1
1 16 . 13 1 1 A 3 3 ALA HA H 24 3.420 3.795 -0.375 1
1 20 . 13 1 1 A 4 4 GLU H H 25 7.590 7.493 0.097 1
1 21 . 13 1 1 A 4 4 GLU N N 25 115.030 116.097 -1.067 1
1 22 . 13 1 1 A 4 4 GLU HA H 25 2.600 2.312 0.288 1
1 27 . 13 1 1 A 5 5 ALA H H 26 7.060 7.457 -0.397 1
1 28 . 13 1 1 A 5 5 ALA N N 26 120.430 121.888 -1.458 1
1 29 . 13 1 1 A 5 5 ALA HA H 26 3.910 3.938 -0.028 1
1 33 . 13 1 1 A 6 6 VAL H H 27 7.550 8.119 -0.569 1
1 34 . 13 1 1 A 6 6 VAL N N 27 118.870 118.403 0.467 1
1 35 . 13 1 1 A 6 6 VAL HA H 27 3.570 3.573 -0.003 1
1 43 . 13 1 1 A 7 7 VAL H H 28 8.090 8.016 0.074 1
1 44 . 13 1 1 A 7 7 VAL N N 28 120.550 119.443 1.107 1
1 45 . 13 1 1 A 7 7 VAL HA H 28 4.010 3.780 0.230 1
1 53 . 13 1 1 A 8 8 GLN H H 29 7.830 8.419 -0.589 1
1 54 . 13 1 1 A 8 8 GLN N N 29 117.070 118.784 -1.714 1
1 55 . 13 1 1 A 8 8 GLN HA H 29 3.860 4.261 -0.401 1
1 63 . 13 1 1 A 9 9 GLN H H 30 7.640 8.252 -0.612 1
1 64 . 13 1 1 A 9 9 GLN N N 30 115.630 119.438 -3.808 1
1 65 . 13 1 1 A 9 9 GLN HA H 30 4.210 4.614 -0.404 1
1 73 . 13 1 1 A 10 10 LYS H H 31 8.760 8.552 0.208 1
1 74 . 13 1 1 A 10 10 LYS N N 31 113.830 118.715 -4.885 1
1 75 . 13 1 1 A 10 10 LYS HA H 31 4.860 4.525 0.335 1
1 83 . 13 1 1 A 11 11 CYS H H 32 8.770 8.444 0.326 1
1 84 . 13 1 1 A 11 11 CYS N N 32 114.980 116.081 -1.101 1
1 85 . 13 1 1 A 11 11 CYS HA H 32 6.040 4.683 1.357 1
1 88 . 13 1 1 A 12 12 ILE H H 33 6.960 8.177 -1.217 1
1 89 . 13 1 1 A 12 12 ILE N N 33 110.470 120.221 -9.751 1
1 90 . 13 1 1 A 12 12 ILE HA H 33 3.200 3.958 -0.758 1
1 97 . 13 1 1 A 13 13 SER H H 34 8.520 8.019 0.501 1
1 98 . 13 1 1 A 13 13 SER N N 34 119.350 117.699 1.651 1
1 99 . 13 1 1 A 13 13 SER HA H 34 3.870 4.089 -0.219 1
1 102 . 13 1 1 A 14 14 CYS H H 35 6.100 8.028 -1.928 1
1 103 . 13 1 1 A 14 14 CYS N N 35 114.670 117.197 -2.527 1
1 104 . 13 1 1 A 14 14 CYS HA H 35 4.370 4.551 -0.181 1
1 107 . 13 1 1 A 15 15 HIS H H 36 6.120 8.180 -2.060 1
1 108 . 13 1 1 A 15 15 HIS N N 36 112.870 116.448 -3.578 1
1 109 . 13 1 1 A 15 15 HIS HA H 36 2.580 4.503 -1.923 1
1 116 . 13 1 1 A 16 16 GLY H H 37 7.080 8.131 -1.051 1
1 117 . 13 1 1 A 16 16 GLY N N 37 106.750 107.781 -1.031 1
1 118 . 13 1 1 A 16 16 GLY HA2 H 37 3.200 3.996 -0.796 1
1 119 . 13 1 1 A 16 16 GLY HA3 H 37 3.920 4.003 -0.083 1
1 120 . 13 1 1 A 17 17 GLY H H 38 8.310 8.857 -0.547 1
1 121 . 13 1 1 A 17 17 GLY N N 38 108.070 110.571 -2.501 1
1 122 . 13 1 1 A 17 17 GLY HA2 H 38 3.440 3.896 -0.456 1
1 123 . 13 1 1 A 17 17 GLY HA3 H 38 3.670 3.906 -0.236 1
1 124 . 13 1 1 A 18 18 ASP H H 39 7.420 7.768 -0.348 1
1 125 . 13 1 1 A 18 18 ASP N N 39 115.870 120.904 -5.034 1
1 126 . 13 1 1 A 18 18 ASP HA H 39 4.460 4.798 -0.338 1
1 129 . 13 1 1 A 19 19 LEU H H 40 7.460 8.273 -0.813 1
1 130 . 13 1 1 A 19 19 LEU N N 40 109.030 116.385 -7.355 1
1 131 . 13 1 1 A 19 19 LEU HA H 40 3.150 4.126 -0.976 1
1 141 . 13 1 1 A 20 20 THR H H 41 7.390 8.178 -0.788 1
1 142 . 13 1 1 A 20 20 THR N N 41 105.670 111.037 -5.367 1
1 143 . 13 1 1 A 20 20 THR HA H 41 3.950 4.336 -0.386 1
1 148 . 13 1 1 A 21 21 GLY H H 42 7.610 8.163 -0.553 1
1 149 . 13 1 1 A 21 21 GLY N N 42 111.310 110.100 1.210 1
1 150 . 13 1 1 A 21 21 GLY HA2 H 42 2.600 4.070 -1.470 1
1 151 . 13 1 1 A 21 21 GLY HA3 H 42 3.980 4.107 -0.127 1
1 152 . 13 1 1 A 22 22 ALA H H 43 7.480 8.205 -0.725 1
1 153 . 13 1 1 A 22 22 ALA N N 43 125.590 123.152 2.438 1
1 154 . 13 1 1 A 22 22 ALA HA H 43 3.980 4.329 -0.349 1
1 158 . 13 1 1 A 23 23 SER H H 44 7.760 8.345 -0.585 1
1 159 . 13 1 1 A 23 23 SER N N 44 118.630 111.895 6.735 1
1 160 . 13 1 1 A 23 23 SER HA H 44 4.080 4.464 -0.384 1
1 163 . 13 1 1 A 24 24 ALA H H 45 7.300 7.576 -0.276 1
1 164 . 13 1 1 A 24 24 ALA N N 45 125.110 121.541 3.569 1
1 165 . 13 1 1 A 24 24 ALA HA H 45 4.170 4.754 -0.584 1
1 169 . 13 1 1 A 25 25 PRO HA H 46 3.910 4.633 -0.723 1
1 176 . 13 1 1 A 26 26 ALA H H 47 7.920 8.377 -0.457 1
1 177 . 13 1 1 A 26 26 ALA N N 47 120.310 124.772 -4.462 1
1 178 . 13 1 1 A 26 26 ALA HA H 47 3.370 4.462 -1.092 1
1 182 . 13 1 1 A 27 27 ILE H H 48 7.770 8.650 -0.880 1
1 183 . 13 1 1 A 27 27 ILE N N 48 112.150 119.300 -7.150 1
1 184 . 13 1 1 A 27 27 ILE HA H 48 4.170 4.599 -0.429 1
1 194 . 13 1 1 A 28 28 ASP H H 49 8.250 8.453 -0.203 1
1 195 . 13 1 1 A 28 28 ASP N N 49 119.980 123.952 -3.972 1
1 196 . 13 1 1 A 28 28 ASP HA H 49 3.600 4.267 -0.667 1
1 199 . 13 1 1 A 29 29 LYS H H 50 7.720 7.737 -0.017 1
1 200 . 13 1 1 A 29 29 LYS N N 50 117.430 117.450 -0.020 1
1 201 . 13 1 1 A 29 29 LYS HA H 50 4.220 4.305 -0.085 1
1 209 . 13 1 1 A 30 30 ALA H H 51 7.130 8.128 -0.998 1
1 210 . 13 1 1 A 30 30 ALA N N 51 121.030 122.817 -1.787 1
1 211 . 13 1 1 A 30 30 ALA HA H 51 4.240 3.846 0.394 1
1 215 . 13 1 1 A 31 31 GLY H H 52 8.290 8.357 -0.067 1
1 216 . 13 1 1 A 31 31 GLY N N 52 103.990 105.323 -1.333 1
1 217 . 13 1 1 A 31 31 GLY HA2 H 52 3.670 3.729 -0.059 1
1 218 . 13 1 1 A 31 31 GLY HA3 H 52 4.370 3.775 0.595 1
1 219 . 13 1 1 A 32 32 ALA H H 53 7.970 8.084 -0.114 1
1 220 . 13 1 1 A 32 32 ALA N N 53 120.670 124.659 -3.989 1
1 221 . 13 1 1 A 32 32 ALA HA H 53 4.160 3.911 0.249 1
1 225 . 13 1 1 A 33 33 ASN H H 54 7.490 7.710 -0.220 1
1 226 . 13 1 1 A 33 33 ASN N N 54 113.350 113.907 -0.557 1
1 227 . 13 1 1 A 33 33 ASN HA H 54 4.590 4.435 0.155 1
1 233 . 13 1 1 A 34 34 TYR H H 55 8.070 7.712 0.358 1
1 234 . 13 1 1 A 34 34 TYR N N 55 118.270 115.773 2.497 1
1 235 . 13 1 1 A 34 34 TYR HA H 55 5.020 5.324 -0.304 1
1 240 . 13 1 1 A 35 35 SER H H 56 9.110 9.695 -0.585 1
1 241 . 13 1 1 A 35 35 SER N N 56 114.910 119.348 -4.438 1
1 242 . 13 1 1 A 35 35 SER HA H 56 4.560 4.633 -0.073 1
1 245 . 13 1 1 A 36 36 GLU H H 57 9.020 9.095 -0.075 1
1 246 . 13 1 1 A 36 36 GLU N N 57 121.630 123.288 -1.658 1
1 247 . 13 1 1 A 36 36 GLU HA H 57 3.670 4.071 -0.401 1
1 251 . 13 1 1 A 37 37 GLU H H 58 8.680 8.396 0.284 1
1 252 . 13 1 1 A 37 37 GLU N N 58 116.230 119.369 -3.139 1
1 253 . 13 1 1 A 37 37 GLU HA H 58 3.810 4.107 -0.297 1
1 258 . 13 1 1 A 38 38 GLU H H 59 7.710 7.888 -0.178 1
1 259 . 13 1 1 A 38 38 GLU N N 59 120.070 119.630 0.440 1
1 260 . 13 1 1 A 38 38 GLU HA H 59 3.940 4.056 -0.116 1
1 265 . 13 1 1 A 39 39 ILE H H 60 8.370 8.176 0.194 1
1 266 . 13 1 1 A 39 39 ILE N N 60 119.710 120.926 -1.216 1
1 267 . 13 1 1 A 39 39 ILE HA H 60 3.360 3.649 -0.289 1
1 276 . 13 1 1 A 40 40 LEU H H 61 8.380 8.443 -0.063 1
1 277 . 13 1 1 A 40 40 LEU N N 61 119.710 121.259 -1.549 1
1 278 . 13 1 1 A 40 40 LEU HA H 61 3.690 3.956 -0.266 1
1 288 . 13 1 1 A 41 41 ASP H H 62 7.410 8.359 -0.949 1
1 289 . 13 1 1 A 41 41 ASP N N 62 116.590 117.804 -1.214 1
1 290 . 13 1 1 A 41 41 ASP HA H 62 4.010 4.501 -0.491 1
1 293 . 13 1 1 A 42 42 ILE H H 63 7.240 7.693 -0.453 1
1 294 . 13 1 1 A 42 42 ILE N N 63 120.430 117.156 3.274 1
1 295 . 13 1 1 A 42 42 ILE HA H 63 2.540 3.979 -1.439 1
1 305 . 13 1 1 A 43 43 ILE H H 64 7.550 8.065 -0.515 1
1 306 . 13 1 1 A 43 43 ILE N N 64 116.230 121.457 -5.227 1
1 307 . 13 1 1 A 43 43 ILE HA H 64 2.250 3.562 -1.312 1
1 317 . 13 1 1 A 44 44 LEU H H 65 8.560 8.607 -0.047 1
1 318 . 13 1 1 A 44 44 LEU N N 65 115.630 118.512 -2.882 1
1 319 . 13 1 1 A 44 44 LEU HA H 65 3.700 3.949 -0.249 1
1 329 . 13 1 1 A 45 45 ASN H H 66 8.200 7.938 0.262 1
1 330 . 13 1 1 A 45 45 ASN N N 66 112.510 113.879 -1.369 1
1 331 . 13 1 1 A 45 45 ASN HA H 66 4.460 4.630 -0.170 1
1 337 . 13 1 1 A 46 46 GLY H H 67 7.480 8.250 -0.770 1
1 338 . 13 1 1 A 46 46 GLY N N 67 111.910 105.332 6.578 1
1 339 . 13 1 1 A 46 46 GLY HA2 H 67 2.060 3.984 -1.924 1
1 340 . 13 1 1 A 46 46 GLY HA3 H 67 3.210 3.991 -0.781 1
1 341 . 13 1 1 A 47 47 GLN H H 68 6.470 8.390 -1.920 1
1 342 . 13 1 1 A 47 47 GLN N N 68 114.550 123.149 -8.599 1
1 343 . 13 1 1 A 47 47 GLN HA H 68 3.730 4.121 -0.391 1
1 351 . 13 1 1 A 48 48 GLY H H 69 8.680 8.760 -0.080 1
1 352 . 13 1 1 A 48 48 GLY N N 69 115.150 111.871 3.279 1
1 353 . 13 1 1 A 48 48 GLY HA2 H 69 3.440 3.797 -0.357 1
1 354 . 13 1 1 A 48 48 GLY HA3 H 69 3.740 3.797 -0.057 1
1 355 . 13 1 1 A 49 49 GLY H H 70 9.620 8.160 1.460 1
1 356 . 13 1 1 A 49 49 GLY N N 70 114.790 108.855 5.935 1
1 357 . 13 1 1 A 49 49 GLY HA2 H 70 3.850 3.967 -0.117 1
1 358 . 13 1 1 A 49 49 GLY HA3 H 70 3.980 3.970 0.010 1
1 359 . 13 1 1 A 50 50 MET H H 71 8.100 8.110 -0.010 1
1 360 . 13 1 1 A 50 50 MET N N 71 125.230 120.860 4.370 1
1 361 . 13 1 1 A 50 50 MET HA H 71 3.060 4.779 -1.719 1
1 369 . 13 1 1 A 51 51 PRO HA H 72 3.740 4.566 -0.826 1
1 373 . 13 1 1 A 52 52 GLY H H 73 7.670 8.586 -0.916 1
1 374 . 13 1 1 A 52 52 GLY N N 73 103.400 108.693 -5.293 1
1 375 . 13 1 1 A 52 52 GLY HA2 H 73 2.660 4.036 -1.376 1
1 376 . 13 1 1 A 52 52 GLY HA3 H 73 3.060 4.041 -0.981 1
1 377 . 13 1 1 A 53 53 GLY H H 74 7.530 8.829 -1.299 1
1 378 . 13 1 1 A 53 53 GLY N N 74 106.030 110.058 -4.028 1
1 379 . 13 1 1 A 53 53 GLY HA2 H 74 3.370 3.962 -0.592 1
1 380 . 13 1 1 A 53 53 GLY HA3 H 74 3.560 3.964 -0.404 1
1 381 . 13 1 1 A 54 54 ILE H H 75 9.500 8.109 1.391 1
1 382 . 13 1 1 A 54 54 ILE N N 75 124.150 119.483 4.667 1
1 383 . 13 1 1 A 54 54 ILE HA H 75 3.370 3.860 -0.490 1
1 393 . 13 1 1 A 55 55 ALA H H 76 6.620 7.538 -0.918 1
1 394 . 13 1 1 A 55 55 ALA N N 76 113.950 119.949 -5.999 1
1 395 . 13 1 1 A 55 55 ALA HA H 76 4.420 4.774 -0.354 1
1 399 . 13 1 1 A 56 56 LYS H H 77 8.420 8.572 -0.152 1
1 400 . 13 1 1 A 56 56 LYS N N 77 114.790 119.961 -5.171 1
1 401 . 13 1 1 A 56 56 LYS HA H 77 4.320 4.824 -0.504 1
1 407 . 13 1 1 A 57 57 GLY H H 78 8.420 8.756 -0.336 1
1 408 . 13 1 1 A 57 57 GLY N N 78 107.590 110.080 -2.490 1
1 409 . 13 1 1 A 57 57 GLY HA2 H 78 3.640 3.918 -0.278 1
1 410 . 13 1 1 A 57 57 GLY HA3 H 78 3.740 3.920 -0.180 1
1 411 . 13 1 1 A 58 58 ALA H H 79 8.690 8.739 -0.049 1
1 412 . 13 1 1 A 58 58 ALA N N 79 127.150 128.511 -1.361 1
1 413 . 13 1 1 A 58 58 ALA HA H 79 4.040 4.084 -0.044 1
1 417 . 13 1 1 A 59 59 GLU H H 80 8.200 8.114 0.086 1
1 418 . 13 1 1 A 59 59 GLU N N 80 117.910 117.788 0.122 1
1 419 . 13 1 1 A 59 59 GLU HA H 80 3.890 4.026 -0.136 1
1 424 . 13 1 1 A 60 60 ALA H H 81 6.820 7.870 -1.050 1
1 425 . 13 1 1 A 60 60 ALA N N 81 120.190 120.875 -0.685 1
1 426 . 13 1 1 A 60 60 ALA HA H 81 3.520 4.113 -0.593 1
1 430 . 13 1 1 A 61 61 GLU H H 82 7.940 8.485 -0.545 1
1 431 . 13 1 1 A 61 61 GLU N N 82 114.910 118.500 -3.590 1
1 432 . 13 1 1 A 61 61 GLU HA H 82 3.730 4.051 -0.321 1
1 437 . 13 1 1 A 62 62 ALA H H 83 7.910 8.217 -0.307 1
1 438 . 13 1 1 A 62 62 ALA N N 83 120.670 122.203 -1.533 1
1 439 . 13 1 1 A 62 62 ALA HA H 83 4.190 4.120 0.070 1
1 443 . 13 1 1 A 63 63 VAL H H 84 8.130 8.274 -0.144 1
1 444 . 13 1 1 A 63 63 VAL N N 84 119.230 118.152 1.078 1
1 445 . 13 1 1 A 63 63 VAL HA H 84 3.610 3.777 -0.167 1
1 453 . 13 1 1 A 64 64 ALA H H 85 8.600 8.892 -0.292 1
1 454 . 13 1 1 A 64 64 ALA N N 85 121.750 121.550 0.200 1
1 455 . 13 1 1 A 64 64 ALA HA H 85 4.080 3.977 0.103 1
1 459 . 13 1 1 A 65 65 ALA H H 86 7.690 8.244 -0.554 1
1 460 . 13 1 1 A 65 65 ALA N N 86 117.310 118.969 -1.659 1
1 461 . 13 1 1 A 65 65 ALA HA H 86 3.860 4.055 -0.195 1
1 465 . 13 1 1 A 66 66 TRP H H 87 7.810 8.310 -0.500 1
1 466 . 13 1 1 A 66 66 TRP N N 87 119.230 120.826 -1.596 1
1 467 . 13 1 1 A 66 66 TRP HA H 87 4.180 4.235 -0.055 1
1 476 . 13 1 1 A 67 67 LEU H H 88 9.070 8.872 0.198 1
1 477 . 13 1 1 A 67 67 LEU N N 88 118.630 121.318 -2.688 1
1 478 . 13 1 1 A 67 67 LEU HA H 88 3.760 3.602 0.158 1
1 488 . 13 1 1 A 68 68 ALA H H 89 8.100 8.668 -0.568 1
1 489 . 13 1 1 A 68 68 ALA N N 89 118.030 120.816 -2.786 1
1 490 . 13 1 1 A 68 68 ALA HA H 89 3.780 3.921 -0.141 1
1 494 . 13 1 1 A 69 69 GLU H H 90 6.710 7.930 -1.220 1
1 495 . 13 1 1 A 69 69 GLU N N 90 111.670 117.887 -6.217 1
1 496 . 13 1 1 A 69 69 GLU HA H 90 4.090 4.023 0.067 1
1 501 . 13 1 1 A 70 70 LYS H H 91 7.460 7.676 -0.216 1
1 502 . 13 1 1 A 70 70 LYS N N 91 122.830 118.741 4.089 1
1 503 . 13 1 1 A 70 70 LYS HA H 91 3.980 3.935 0.045 1
1 9 . 14 1 1 A 2 2 ASP H H 23 8.490 8.636 -0.146 1
1 10 . 14 1 1 A 2 2 ASP N N 23 126.550 127.542 -0.992 1
1 11 . 14 1 1 A 2 2 ASP HA H 23 4.480 4.678 -0.198 1
1 14 . 14 1 1 A 3 3 ALA H H 24 8.280 8.472 -0.192 1
1 15 . 14 1 1 A 3 3 ALA N N 24 126.910 123.707 3.203 1
1 16 . 14 1 1 A 3 3 ALA HA H 24 3.420 4.137 -0.717 1
1 20 . 14 1 1 A 4 4 GLU H H 25 7.590 7.428 0.162 1
1 21 . 14 1 1 A 4 4 GLU N N 25 115.030 115.982 -0.952 1
1 22 . 14 1 1 A 4 4 GLU HA H 25 2.600 2.173 0.427 1
1 27 . 14 1 1 A 5 5 ALA H H 26 7.060 7.673 -0.613 1
1 28 . 14 1 1 A 5 5 ALA N N 26 120.430 122.050 -1.620 1
1 29 . 14 1 1 A 5 5 ALA HA H 26 3.910 3.911 -0.001 1
1 33 . 14 1 1 A 6 6 VAL H H 27 7.550 7.503 0.047 1
1 34 . 14 1 1 A 6 6 VAL N N 27 118.870 118.941 -0.071 1
1 35 . 14 1 1 A 6 6 VAL HA H 27 3.570 3.565 0.005 1
1 43 . 14 1 1 A 7 7 VAL H H 28 8.090 7.809 0.281 1
1 44 . 14 1 1 A 7 7 VAL N N 28 120.550 119.954 0.596 1
1 45 . 14 1 1 A 7 7 VAL HA H 28 4.010 3.792 0.218 1
1 53 . 14 1 1 A 8 8 GLN H H 29 7.830 8.370 -0.540 1
1 54 . 14 1 1 A 8 8 GLN N N 29 117.070 118.580 -1.510 1
1 55 . 14 1 1 A 8 8 GLN HA H 29 3.860 4.256 -0.396 1
1 63 . 14 1 1 A 9 9 GLN H H 30 7.640 8.291 -0.651 1
1 64 . 14 1 1 A 9 9 GLN N N 30 115.630 120.138 -4.508 1
1 65 . 14 1 1 A 9 9 GLN HA H 30 4.210 4.676 -0.466 1
1 73 . 14 1 1 A 10 10 LYS H H 31 8.760 8.514 0.246 1
1 74 . 14 1 1 A 10 10 LYS N N 31 113.830 118.788 -4.958 1
1 75 . 14 1 1 A 10 10 LYS HA H 31 4.860 4.496 0.364 1
1 83 . 14 1 1 A 11 11 CYS H H 32 8.770 8.205 0.565 1
1 84 . 14 1 1 A 11 11 CYS N N 32 114.980 116.035 -1.055 1
1 85 . 14 1 1 A 11 11 CYS HA H 32 6.040 4.682 1.358 1
1 88 . 14 1 1 A 12 12 ILE H H 33 6.960 8.176 -1.216 1
1 89 . 14 1 1 A 12 12 ILE N N 33 110.470 119.872 -9.402 1
1 90 . 14 1 1 A 12 12 ILE HA H 33 3.200 3.959 -0.759 1
1 97 . 14 1 1 A 13 13 SER H H 34 8.520 8.024 0.496 1
1 98 . 14 1 1 A 13 13 SER N N 34 119.350 117.624 1.726 1
1 99 . 14 1 1 A 13 13 SER HA H 34 3.870 4.123 -0.253 1
1 102 . 14 1 1 A 14 14 CYS H H 35 6.100 8.081 -1.981 1
1 103 . 14 1 1 A 14 14 CYS N N 35 114.670 117.133 -2.463 1
1 104 . 14 1 1 A 14 14 CYS HA H 35 4.370 4.551 -0.181 1
1 107 . 14 1 1 A 15 15 HIS H H 36 6.120 8.177 -2.057 1
1 108 . 14 1 1 A 15 15 HIS N N 36 112.870 116.477 -3.607 1
1 109 . 14 1 1 A 15 15 HIS HA H 36 2.580 4.492 -1.912 1
1 116 . 14 1 1 A 16 16 GLY H H 37 7.080 8.088 -1.008 1
1 117 . 14 1 1 A 16 16 GLY N N 37 106.750 107.589 -0.839 1
1 118 . 14 1 1 A 16 16 GLY HA2 H 37 3.200 3.993 -0.793 1
1 119 . 14 1 1 A 16 16 GLY HA3 H 37 3.920 3.999 -0.079 1
1 120 . 14 1 1 A 17 17 GLY H H 38 8.310 8.847 -0.537 1
1 121 . 14 1 1 A 17 17 GLY N N 38 108.070 110.122 -2.052 1
1 122 . 14 1 1 A 17 17 GLY HA2 H 38 3.440 3.887 -0.447 1
1 123 . 14 1 1 A 17 17 GLY HA3 H 38 3.670 3.895 -0.225 1
1 124 . 14 1 1 A 18 18 ASP H H 39 7.420 7.830 -0.410 1
1 125 . 14 1 1 A 18 18 ASP N N 39 115.870 121.083 -5.213 1
1 126 . 14 1 1 A 18 18 ASP HA H 39 4.460 4.768 -0.308 1
1 129 . 14 1 1 A 19 19 LEU H H 40 7.460 8.283 -0.823 1
1 130 . 14 1 1 A 19 19 LEU N N 40 109.030 116.378 -7.348 1
1 131 . 14 1 1 A 19 19 LEU HA H 40 3.150 4.133 -0.983 1
1 141 . 14 1 1 A 20 20 THR H H 41 7.390 8.174 -0.784 1
1 142 . 14 1 1 A 20 20 THR N N 41 105.670 111.055 -5.385 1
1 143 . 14 1 1 A 20 20 THR HA H 41 3.950 4.325 -0.375 1
1 148 . 14 1 1 A 21 21 GLY H H 42 7.610 8.070 -0.460 1
1 149 . 14 1 1 A 21 21 GLY N N 42 111.310 110.106 1.204 1
1 150 . 14 1 1 A 21 21 GLY HA2 H 42 2.600 4.039 -1.439 1
1 151 . 14 1 1 A 21 21 GLY HA3 H 42 3.980 4.076 -0.096 1
1 152 . 14 1 1 A 22 22 ALA H H 43 7.480 8.038 -0.558 1
1 153 . 14 1 1 A 22 22 ALA N N 43 125.590 122.720 2.870 1
1 154 . 14 1 1 A 22 22 ALA HA H 43 3.980 4.237 -0.257 1
1 158 . 14 1 1 A 23 23 SER H H 44 7.760 8.171 -0.411 1
1 159 . 14 1 1 A 23 23 SER N N 44 118.630 113.528 5.102 1
1 160 . 14 1 1 A 23 23 SER HA H 44 4.080 4.545 -0.465 1
1 163 . 14 1 1 A 24 24 ALA H H 45 7.300 7.549 -0.249 1
1 164 . 14 1 1 A 24 24 ALA N N 45 125.110 121.459 3.651 1
1 165 . 14 1 1 A 24 24 ALA HA H 45 4.170 4.782 -0.612 1
1 169 . 14 1 1 A 25 25 PRO HA H 46 3.910 4.629 -0.719 1
1 176 . 14 1 1 A 26 26 ALA H H 47 7.920 8.383 -0.463 1
1 177 . 14 1 1 A 26 26 ALA N N 47 120.310 124.486 -4.176 1
1 178 . 14 1 1 A 26 26 ALA HA H 47 3.370 4.426 -1.056 1
1 182 . 14 1 1 A 27 27 ILE H H 48 7.770 8.486 -0.716 1
1 183 . 14 1 1 A 27 27 ILE N N 48 112.150 118.942 -6.792 1
1 184 . 14 1 1 A 27 27 ILE HA H 48 4.170 4.459 -0.289 1
1 194 . 14 1 1 A 28 28 ASP H H 49 8.250 8.364 -0.114 1
1 195 . 14 1 1 A 28 28 ASP N N 49 119.980 123.917 -3.937 1
1 196 . 14 1 1 A 28 28 ASP HA H 49 3.600 4.251 -0.651 1
1 199 . 14 1 1 A 29 29 LYS H H 50 7.720 7.754 -0.034 1
1 200 . 14 1 1 A 29 29 LYS N N 50 117.430 117.524 -0.094 1
1 201 . 14 1 1 A 29 29 LYS HA H 50 4.220 4.338 -0.118 1
1 209 . 14 1 1 A 30 30 ALA H H 51 7.130 8.086 -0.956 1
1 210 . 14 1 1 A 30 30 ALA N N 51 121.030 123.243 -2.213 1
1 211 . 14 1 1 A 30 30 ALA HA H 51 4.240 3.878 0.362 1
1 215 . 14 1 1 A 31 31 GLY H H 52 8.290 8.314 -0.024 1
1 216 . 14 1 1 A 31 31 GLY N N 52 103.990 106.965 -2.975 1
1 217 . 14 1 1 A 31 31 GLY HA2 H 52 3.670 3.801 -0.131 1
1 218 . 14 1 1 A 31 31 GLY HA3 H 52 4.370 3.848 0.522 1
1 219 . 14 1 1 A 32 32 ALA H H 53 7.970 8.176 -0.206 1
1 220 . 14 1 1 A 32 32 ALA N N 53 120.670 124.705 -4.035 1
1 221 . 14 1 1 A 32 32 ALA HA H 53 4.160 3.926 0.234 1
1 225 . 14 1 1 A 33 33 ASN H H 54 7.490 7.677 -0.187 1
1 226 . 14 1 1 A 33 33 ASN N N 54 113.350 114.082 -0.732 1
1 227 . 14 1 1 A 33 33 ASN HA H 54 4.590 4.623 -0.033 1
1 233 . 14 1 1 A 34 34 TYR H H 55 8.070 8.081 -0.011 1
1 234 . 14 1 1 A 34 34 TYR N N 55 118.270 115.389 2.881 1
1 235 . 14 1 1 A 34 34 TYR HA H 55 5.020 5.258 -0.238 1
1 240 . 14 1 1 A 35 35 SER H H 56 9.110 8.998 0.112 1
1 241 . 14 1 1 A 35 35 SER N N 56 114.910 119.054 -4.144 1
1 242 . 14 1 1 A 35 35 SER HA H 56 4.560 4.677 -0.117 1
1 245 . 14 1 1 A 36 36 GLU H H 57 9.020 9.025 -0.005 1
1 246 . 14 1 1 A 36 36 GLU N N 57 121.630 122.782 -1.152 1
1 247 . 14 1 1 A 36 36 GLU HA H 57 3.670 4.045 -0.375 1
1 251 . 14 1 1 A 37 37 GLU H H 58 8.680 8.306 0.374 1
1 252 . 14 1 1 A 37 37 GLU N N 58 116.230 119.616 -3.386 1
1 253 . 14 1 1 A 37 37 GLU HA H 58 3.810 4.111 -0.301 1
1 258 . 14 1 1 A 38 38 GLU H H 59 7.710 8.158 -0.448 1
1 259 . 14 1 1 A 38 38 GLU N N 59 120.070 119.684 0.386 1
1 260 . 14 1 1 A 38 38 GLU HA H 59 3.940 4.021 -0.081 1
1 265 . 14 1 1 A 39 39 ILE H H 60 8.370 8.234 0.136 1
1 266 . 14 1 1 A 39 39 ILE N N 60 119.710 121.022 -1.312 1
1 267 . 14 1 1 A 39 39 ILE HA H 60 3.360 3.678 -0.318 1
1 276 . 14 1 1 A 40 40 LEU H H 61 8.380 8.537 -0.157 1
1 277 . 14 1 1 A 40 40 LEU N N 61 119.710 121.394 -1.684 1
1 278 . 14 1 1 A 40 40 LEU HA H 61 3.690 3.974 -0.284 1
1 288 . 14 1 1 A 41 41 ASP H H 62 7.410 8.139 -0.729 1
1 289 . 14 1 1 A 41 41 ASP N N 62 116.590 118.321 -1.731 1
1 290 . 14 1 1 A 41 41 ASP HA H 62 4.010 4.250 -0.240 1
1 293 . 14 1 1 A 42 42 ILE H H 63 7.240 8.418 -1.178 1
1 294 . 14 1 1 A 42 42 ILE N N 63 120.430 118.510 1.920 1
1 295 . 14 1 1 A 42 42 ILE HA H 63 2.540 3.716 -1.176 1
1 305 . 14 1 1 A 43 43 ILE H H 64 7.550 8.478 -0.928 1
1 306 . 14 1 1 A 43 43 ILE N N 64 116.230 120.923 -4.693 1
1 307 . 14 1 1 A 43 43 ILE HA H 64 2.250 3.555 -1.305 1
1 317 . 14 1 1 A 44 44 LEU H H 65 8.560 8.444 0.116 1
1 318 . 14 1 1 A 44 44 LEU N N 65 115.630 118.560 -2.930 1
1 319 . 14 1 1 A 44 44 LEU HA H 65 3.700 4.081 -0.381 1
1 329 . 14 1 1 A 45 45 ASN H H 66 8.200 8.613 -0.413 1
1 330 . 14 1 1 A 45 45 ASN N N 66 112.510 115.425 -2.915 1
1 331 . 14 1 1 A 45 45 ASN HA H 66 4.460 4.783 -0.323 1
1 337 . 14 1 1 A 46 46 GLY H H 67 7.480 7.819 -0.339 1
1 338 . 14 1 1 A 46 46 GLY N N 67 111.910 103.623 8.287 1
1 339 . 14 1 1 A 46 46 GLY HA2 H 67 2.060 4.125 -2.065 1
1 340 . 14 1 1 A 46 46 GLY HA3 H 67 3.210 4.136 -0.926 1
1 341 . 14 1 1 A 47 47 GLN H H 68 6.470 7.971 -1.501 1
1 342 . 14 1 1 A 47 47 GLN N N 68 114.550 119.397 -4.847 1
1 343 . 14 1 1 A 47 47 GLN HA H 68 3.730 4.761 -1.031 1
1 351 . 14 1 1 A 48 48 GLY H H 69 8.680 8.877 -0.197 1
1 352 . 14 1 1 A 48 48 GLY N N 69 115.150 112.342 2.808 1
1 353 . 14 1 1 A 48 48 GLY HA2 H 69 3.440 3.744 -0.304 1
1 354 . 14 1 1 A 48 48 GLY HA3 H 69 3.740 3.747 -0.007 1
1 355 . 14 1 1 A 49 49 GLY H H 70 9.620 8.288 1.332 1
1 356 . 14 1 1 A 49 49 GLY N N 70 114.790 109.324 5.466 1
1 357 . 14 1 1 A 49 49 GLY HA2 H 70 3.850 3.951 -0.101 1
1 358 . 14 1 1 A 49 49 GLY HA3 H 70 3.980 3.955 0.025 1
1 359 . 14 1 1 A 50 50 MET H H 71 8.100 8.268 -0.168 1
1 360 . 14 1 1 A 50 50 MET N N 71 125.230 121.166 4.064 1
1 361 . 14 1 1 A 50 50 MET HA H 71 3.060 4.762 -1.702 1
1 369 . 14 1 1 A 51 51 PRO HA H 72 3.740 4.404 -0.664 1
1 373 . 14 1 1 A 52 52 GLY H H 73 7.670 8.206 -0.536 1
1 374 . 14 1 1 A 52 52 GLY N N 73 103.400 109.129 -5.729 1
1 375 . 14 1 1 A 52 52 GLY HA2 H 73 2.660 4.049 -1.389 1
1 376 . 14 1 1 A 52 52 GLY HA3 H 73 3.060 4.058 -0.998 1
1 377 . 14 1 1 A 53 53 GLY H H 74 7.530 8.974 -1.444 1
1 378 . 14 1 1 A 53 53 GLY N N 74 106.030 109.487 -3.457 1
1 379 . 14 1 1 A 53 53 GLY HA2 H 74 3.370 3.942 -0.572 1
1 380 . 14 1 1 A 53 53 GLY HA3 H 74 3.560 3.944 -0.384 1
1 381 . 14 1 1 A 54 54 ILE H H 75 9.500 8.120 1.380 1
1 382 . 14 1 1 A 54 54 ILE N N 75 124.150 118.967 5.183 1
1 383 . 14 1 1 A 54 54 ILE HA H 75 3.370 3.927 -0.557 1
1 393 . 14 1 1 A 55 55 ALA H H 76 6.620 7.601 -0.981 1
1 394 . 14 1 1 A 55 55 ALA N N 76 113.950 120.359 -6.409 1
1 395 . 14 1 1 A 55 55 ALA HA H 76 4.420 4.930 -0.510 1
1 399 . 14 1 1 A 56 56 LYS H H 77 8.420 8.602 -0.182 1
1 400 . 14 1 1 A 56 56 LYS N N 77 114.790 119.876 -5.086 1
1 401 . 14 1 1 A 56 56 LYS HA H 77 4.320 4.793 -0.473 1
1 407 . 14 1 1 A 57 57 GLY H H 78 8.420 8.748 -0.328 1
1 408 . 14 1 1 A 57 57 GLY N N 78 107.590 110.157 -2.567 1
1 409 . 14 1 1 A 57 57 GLY HA2 H 78 3.640 3.919 -0.279 1
1 410 . 14 1 1 A 57 57 GLY HA3 H 78 3.740 3.921 -0.181 1
1 411 . 14 1 1 A 58 58 ALA H H 79 8.690 8.777 -0.087 1
1 412 . 14 1 1 A 58 58 ALA N N 79 127.150 128.607 -1.457 1
1 413 . 14 1 1 A 58 58 ALA HA H 79 4.040 4.044 -0.004 1
1 417 . 14 1 1 A 59 59 GLU H H 80 8.200 8.073 0.127 1
1 418 . 14 1 1 A 59 59 GLU N N 80 117.910 118.443 -0.533 1
1 419 . 14 1 1 A 59 59 GLU HA H 80 3.890 3.988 -0.098 1
1 424 . 14 1 1 A 60 60 ALA H H 81 6.820 7.775 -0.955 1
1 425 . 14 1 1 A 60 60 ALA N N 81 120.190 121.379 -1.189 1
1 426 . 14 1 1 A 60 60 ALA HA H 81 3.520 4.111 -0.591 1
1 430 . 14 1 1 A 61 61 GLU H H 82 7.940 8.435 -0.495 1
1 431 . 14 1 1 A 61 61 GLU N N 82 114.910 118.547 -3.637 1
1 432 . 14 1 1 A 61 61 GLU HA H 82 3.730 4.068 -0.338 1
1 437 . 14 1 1 A 62 62 ALA H H 83 7.910 8.269 -0.359 1
1 438 . 14 1 1 A 62 62 ALA N N 83 120.670 122.449 -1.779 1
1 439 . 14 1 1 A 62 62 ALA HA H 83 4.190 4.156 0.034 1
1 443 . 14 1 1 A 63 63 VAL H H 84 8.130 8.222 -0.092 1
1 444 . 14 1 1 A 63 63 VAL N N 84 119.230 118.207 1.023 1
1 445 . 14 1 1 A 63 63 VAL HA H 84 3.610 3.748 -0.138 1
1 453 . 14 1 1 A 64 64 ALA H H 85 8.600 8.837 -0.237 1
1 454 . 14 1 1 A 64 64 ALA N N 85 121.750 121.338 0.412 1
1 455 . 14 1 1 A 64 64 ALA HA H 85 4.080 3.959 0.121 1
1 459 . 14 1 1 A 65 65 ALA H H 86 7.690 8.308 -0.618 1
1 460 . 14 1 1 A 65 65 ALA N N 86 117.310 118.764 -1.454 1
1 461 . 14 1 1 A 65 65 ALA HA H 86 3.860 4.046 -0.186 1
1 465 . 14 1 1 A 66 66 TRP H H 87 7.810 8.150 -0.340 1
1 466 . 14 1 1 A 66 66 TRP N N 87 119.230 120.797 -1.567 1
1 467 . 14 1 1 A 66 66 TRP HA H 87 4.180 4.245 -0.065 1
1 476 . 14 1 1 A 67 67 LEU H H 88 9.070 8.841 0.229 1
1 477 . 14 1 1 A 67 67 LEU N N 88 118.630 121.290 -2.660 1
1 478 . 14 1 1 A 67 67 LEU HA H 88 3.760 3.670 0.090 1
1 488 . 14 1 1 A 68 68 ALA H H 89 8.100 8.701 -0.601 1
1 489 . 14 1 1 A 68 68 ALA N N 89 118.030 120.764 -2.734 1
1 490 . 14 1 1 A 68 68 ALA HA H 89 3.780 3.920 -0.140 1
1 494 . 14 1 1 A 69 69 GLU H H 90 6.710 7.937 -1.227 1
1 495 . 14 1 1 A 69 69 GLU N N 90 111.670 118.298 -6.628 1
1 496 . 14 1 1 A 69 69 GLU HA H 90 4.090 4.027 0.063 1
1 501 . 14 1 1 A 70 70 LYS H H 91 7.460 7.432 0.028 1
1 502 . 14 1 1 A 70 70 LYS N N 91 122.830 118.899 3.931 1
1 503 . 14 1 1 A 70 70 LYS HA H 91 3.980 3.892 0.088 1
1 9 . 15 1 1 A 2 2 ASP H H 23 8.490 8.832 -0.342 1
1 10 . 15 1 1 A 2 2 ASP N N 23 126.550 128.354 -1.804 1
1 11 . 15 1 1 A 2 2 ASP HA H 23 4.480 4.540 -0.060 1
1 14 . 15 1 1 A 3 3 ALA H H 24 8.280 8.129 0.151 1
1 15 . 15 1 1 A 3 3 ALA N N 24 126.910 128.363 -1.453 1
1 16 . 15 1 1 A 3 3 ALA HA H 24 3.420 3.857 -0.437 1
1 20 . 15 1 1 A 4 4 GLU H H 25 7.590 7.508 0.082 1
1 21 . 15 1 1 A 4 4 GLU N N 25 115.030 115.752 -0.722 1
1 22 . 15 1 1 A 4 4 GLU HA H 25 2.600 2.295 0.305 1
1 27 . 15 1 1 A 5 5 ALA H H 26 7.060 7.708 -0.648 1
1 28 . 15 1 1 A 5 5 ALA N N 26 120.430 121.831 -1.401 1
1 29 . 15 1 1 A 5 5 ALA HA H 26 3.910 3.959 -0.049 1
1 33 . 15 1 1 A 6 6 VAL H H 27 7.550 8.097 -0.547 1
1 34 . 15 1 1 A 6 6 VAL N N 27 118.870 118.371 0.499 1
1 35 . 15 1 1 A 6 6 VAL HA H 27 3.570 3.550 0.020 1
1 43 . 15 1 1 A 7 7 VAL H H 28 8.090 7.875 0.215 1
1 44 . 15 1 1 A 7 7 VAL N N 28 120.550 119.541 1.009 1
1 45 . 15 1 1 A 7 7 VAL HA H 28 4.010 3.794 0.216 1
1 53 . 15 1 1 A 8 8 GLN H H 29 7.830 8.474 -0.644 1
1 54 . 15 1 1 A 8 8 GLN N N 29 117.070 118.833 -1.763 1
1 55 . 15 1 1 A 8 8 GLN HA H 29 3.860 4.268 -0.408 1
1 63 . 15 1 1 A 9 9 GLN H H 30 7.640 8.237 -0.597 1
1 64 . 15 1 1 A 9 9 GLN N N 30 115.630 119.101 -3.471 1
1 65 . 15 1 1 A 9 9 GLN HA H 30 4.210 4.618 -0.408 1
1 73 . 15 1 1 A 10 10 LYS H H 31 8.760 8.403 0.357 1
1 74 . 15 1 1 A 10 10 LYS N N 31 113.830 117.667 -3.837 1
1 75 . 15 1 1 A 10 10 LYS HA H 31 4.860 4.455 0.405 1
1 83 . 15 1 1 A 11 11 CYS H H 32 8.770 8.441 0.329 1
1 84 . 15 1 1 A 11 11 CYS N N 32 114.980 115.520 -0.540 1
1 85 . 15 1 1 A 11 11 CYS HA H 32 6.040 4.683 1.357 1
1 88 . 15 1 1 A 12 12 ILE H H 33 6.960 8.215 -1.255 1
1 89 . 15 1 1 A 12 12 ILE N N 33 110.470 120.229 -9.759 1
1 90 . 15 1 1 A 12 12 ILE HA H 33 3.200 3.958 -0.758 1
1 97 . 15 1 1 A 13 13 SER H H 34 8.520 8.037 0.483 1
1 98 . 15 1 1 A 13 13 SER N N 34 119.350 117.599 1.751 1
1 99 . 15 1 1 A 13 13 SER HA H 34 3.870 4.122 -0.252 1
1 102 . 15 1 1 A 14 14 CYS H H 35 6.100 8.185 -2.085 1
1 103 . 15 1 1 A 14 14 CYS N N 35 114.670 117.027 -2.357 1
1 104 . 15 1 1 A 14 14 CYS HA H 35 4.370 4.555 -0.185 1
1 107 . 15 1 1 A 15 15 HIS H H 36 6.120 8.316 -2.196 1
1 108 . 15 1 1 A 15 15 HIS N N 36 112.870 116.967 -4.097 1
1 109 . 15 1 1 A 15 15 HIS HA H 36 2.580 4.495 -1.915 1
1 116 . 15 1 1 A 16 16 GLY H H 37 7.080 8.379 -1.299 1
1 117 . 15 1 1 A 16 16 GLY N N 37 106.750 106.449 0.301 1
1 118 . 15 1 1 A 16 16 GLY HA2 H 37 3.200 3.930 -0.730 1
1 119 . 15 1 1 A 16 16 GLY HA3 H 37 3.920 3.942 -0.022 1
1 120 . 15 1 1 A 17 17 GLY H H 38 8.310 8.585 -0.275 1
1 121 . 15 1 1 A 17 17 GLY N N 38 108.070 111.349 -3.279 1
1 122 . 15 1 1 A 17 17 GLY HA2 H 38 3.440 4.069 -0.629 1
1 123 . 15 1 1 A 17 17 GLY HA3 H 38 3.670 4.077 -0.407 1
1 124 . 15 1 1 A 18 18 ASP H H 39 7.420 8.081 -0.661 1
1 125 . 15 1 1 A 18 18 ASP N N 39 115.870 121.202 -5.332 1
1 126 . 15 1 1 A 18 18 ASP HA H 39 4.460 4.794 -0.334 1
1 129 . 15 1 1 A 19 19 LEU H H 40 7.460 7.980 -0.520 1
1 130 . 15 1 1 A 19 19 LEU N N 40 109.030 116.278 -7.248 1
1 131 . 15 1 1 A 19 19 LEU HA H 40 3.150 4.131 -0.981 1
1 141 . 15 1 1 A 20 20 THR H H 41 7.390 8.202 -0.812 1
1 142 . 15 1 1 A 20 20 THR N N 41 105.670 111.430 -5.760 1
1 143 . 15 1 1 A 20 20 THR HA H 41 3.950 4.315 -0.365 1
1 148 . 15 1 1 A 21 21 GLY H H 42 7.610 8.163 -0.553 1
1 149 . 15 1 1 A 21 21 GLY N N 42 111.310 110.455 0.855 1
1 150 . 15 1 1 A 21 21 GLY HA2 H 42 2.600 4.112 -1.512 1
1 151 . 15 1 1 A 21 21 GLY HA3 H 42 3.980 4.151 -0.171 1
1 152 . 15 1 1 A 22 22 ALA H H 43 7.480 8.468 -0.988 1
1 153 . 15 1 1 A 22 22 ALA N N 43 125.590 125.436 0.154 1
1 154 . 15 1 1 A 22 22 ALA HA H 43 3.980 4.546 -0.566 1
1 158 . 15 1 1 A 23 23 SER H H 44 7.760 8.293 -0.533 1
1 159 . 15 1 1 A 23 23 SER N N 44 118.630 112.481 6.149 1
1 160 . 15 1 1 A 23 23 SER HA H 44 4.080 4.574 -0.494 1
1 163 . 15 1 1 A 24 24 ALA H H 45 7.300 7.570 -0.270 1
1 164 . 15 1 1 A 24 24 ALA N N 45 125.110 121.426 3.684 1
1 165 . 15 1 1 A 24 24 ALA HA H 45 4.170 4.704 -0.534 1
1 169 . 15 1 1 A 25 25 PRO HA H 46 3.910 4.627 -0.717 1
1 176 . 15 1 1 A 26 26 ALA H H 47 7.920 8.365 -0.445 1
1 177 . 15 1 1 A 26 26 ALA N N 47 120.310 124.847 -4.537 1
1 178 . 15 1 1 A 26 26 ALA HA H 47 3.370 4.554 -1.184 1
1 182 . 15 1 1 A 27 27 ILE H H 48 7.770 8.707 -0.937 1
1 183 . 15 1 1 A 27 27 ILE N N 48 112.150 119.032 -6.882 1
1 184 . 15 1 1 A 27 27 ILE HA H 48 4.170 4.560 -0.390 1
1 194 . 15 1 1 A 28 28 ASP H H 49 8.250 8.544 -0.294 1
1 195 . 15 1 1 A 28 28 ASP N N 49 119.980 123.913 -3.933 1
1 196 . 15 1 1 A 28 28 ASP HA H 49 3.600 4.258 -0.658 1
1 199 . 15 1 1 A 29 29 LYS H H 50 7.720 7.758 -0.038 1
1 200 . 15 1 1 A 29 29 LYS N N 50 117.430 117.254 0.176 1
1 201 . 15 1 1 A 29 29 LYS HA H 50 4.220 4.363 -0.143 1
1 209 . 15 1 1 A 30 30 ALA H H 51 7.130 8.135 -1.005 1
1 210 . 15 1 1 A 30 30 ALA N N 51 121.030 122.867 -1.837 1
1 211 . 15 1 1 A 30 30 ALA HA H 51 4.240 3.812 0.428 1
1 215 . 15 1 1 A 31 31 GLY H H 52 8.290 8.223 0.067 1
1 216 . 15 1 1 A 31 31 GLY N N 52 103.990 105.962 -1.972 1
1 217 . 15 1 1 A 31 31 GLY HA2 H 52 3.670 3.731 -0.061 1
1 218 . 15 1 1 A 31 31 GLY HA3 H 52 4.370 3.776 0.594 1
1 219 . 15 1 1 A 32 32 ALA H H 53 7.970 8.105 -0.135 1
1 220 . 15 1 1 A 32 32 ALA N N 53 120.670 124.693 -4.023 1
1 221 . 15 1 1 A 32 32 ALA HA H 53 4.160 3.903 0.257 1
1 225 . 15 1 1 A 33 33 ASN H H 54 7.490 7.396 0.094 1
1 226 . 15 1 1 A 33 33 ASN N N 54 113.350 114.264 -0.914 1
1 227 . 15 1 1 A 33 33 ASN HA H 54 4.590 4.502 0.088 1
1 233 . 15 1 1 A 34 34 TYR H H 55 8.070 7.844 0.226 1
1 234 . 15 1 1 A 34 34 TYR N N 55 118.270 116.096 2.174 1
1 235 . 15 1 1 A 34 34 TYR HA H 55 5.020 5.385 -0.365 1
1 240 . 15 1 1 A 35 35 SER H H 56 9.110 9.705 -0.595 1
1 241 . 15 1 1 A 35 35 SER N N 56 114.910 120.260 -5.350 1
1 242 . 15 1 1 A 35 35 SER HA H 56 4.560 4.669 -0.109 1
1 245 . 15 1 1 A 36 36 GLU H H 57 9.020 9.006 0.014 1
1 246 . 15 1 1 A 36 36 GLU N N 57 121.630 123.116 -1.486 1
1 247 . 15 1 1 A 36 36 GLU HA H 57 3.670 4.051 -0.381 1
1 251 . 15 1 1 A 37 37 GLU H H 58 8.680 8.390 0.290 1
1 252 . 15 1 1 A 37 37 GLU N N 58 116.230 119.365 -3.135 1
1 253 . 15 1 1 A 37 37 GLU HA H 58 3.810 4.086 -0.276 1
1 258 . 15 1 1 A 38 38 GLU H H 59 7.710 7.754 -0.044 1
1 259 . 15 1 1 A 38 38 GLU N N 59 120.070 119.679 0.391 1
1 260 . 15 1 1 A 38 38 GLU HA H 59 3.940 4.061 -0.121 1
1 265 . 15 1 1 A 39 39 ILE H H 60 8.370 8.200 0.170 1
1 266 . 15 1 1 A 39 39 ILE N N 60 119.710 121.085 -1.375 1
1 267 . 15 1 1 A 39 39 ILE HA H 60 3.360 3.639 -0.279 1
1 276 . 15 1 1 A 40 40 LEU H H 61 8.380 8.538 -0.158 1
1 277 . 15 1 1 A 40 40 LEU N N 61 119.710 121.344 -1.634 1
1 278 . 15 1 1 A 40 40 LEU HA H 61 3.690 3.967 -0.277 1
1 288 . 15 1 1 A 41 41 ASP H H 62 7.410 8.397 -0.987 1
1 289 . 15 1 1 A 41 41 ASP N N 62 116.590 118.224 -1.634 1
1 290 . 15 1 1 A 41 41 ASP HA H 62 4.010 4.257 -0.247 1
1 293 . 15 1 1 A 42 42 ILE H H 63 7.240 8.405 -1.165 1
1 294 . 15 1 1 A 42 42 ILE N N 63 120.430 118.422 2.008 1
1 295 . 15 1 1 A 42 42 ILE HA H 63 2.540 3.680 -1.140 1
1 305 . 15 1 1 A 43 43 ILE H H 64 7.550 8.590 -1.040 1
1 306 . 15 1 1 A 43 43 ILE N N 64 116.230 120.570 -4.340 1
1 307 . 15 1 1 A 43 43 ILE HA H 64 2.250 3.548 -1.298 1
1 317 . 15 1 1 A 44 44 LEU H H 65 8.560 8.574 -0.014 1
1 318 . 15 1 1 A 44 44 LEU N N 65 115.630 118.549 -2.919 1
1 319 . 15 1 1 A 44 44 LEU HA H 65 3.700 4.038 -0.338 1
1 329 . 15 1 1 A 45 45 ASN H H 66 8.200 8.719 -0.519 1
1 330 . 15 1 1 A 45 45 ASN N N 66 112.510 115.140 -2.630 1
1 331 . 15 1 1 A 45 45 ASN HA H 66 4.460 4.764 -0.304 1
1 337 . 15 1 1 A 46 46 GLY H H 67 7.480 7.707 -0.227 1
1 338 . 15 1 1 A 46 46 GLY N N 67 111.910 103.534 8.376 1
1 339 . 15 1 1 A 46 46 GLY HA2 H 67 2.060 4.101 -2.041 1
1 340 . 15 1 1 A 46 46 GLY HA3 H 67 3.210 4.110 -0.900 1
1 341 . 15 1 1 A 47 47 GLN H H 68 6.470 7.973 -1.503 1
1 342 . 15 1 1 A 47 47 GLN N N 68 114.550 119.562 -5.012 1
1 343 . 15 1 1 A 47 47 GLN HA H 68 3.730 4.799 -1.069 1
1 351 . 15 1 1 A 48 48 GLY H H 69 8.680 8.833 -0.153 1
1 352 . 15 1 1 A 48 48 GLY N N 69 115.150 112.283 2.867 1
1 353 . 15 1 1 A 48 48 GLY HA2 H 69 3.440 3.748 -0.308 1
1 354 . 15 1 1 A 48 48 GLY HA3 H 69 3.740 3.748 -0.008 1
1 355 . 15 1 1 A 49 49 GLY H H 70 9.620 8.211 1.409 1
1 356 . 15 1 1 A 49 49 GLY N N 70 114.790 108.776 6.014 1
1 357 . 15 1 1 A 49 49 GLY HA2 H 70 3.850 3.946 -0.096 1
1 358 . 15 1 1 A 49 49 GLY HA3 H 70 3.980 3.951 0.029 1
1 359 . 15 1 1 A 50 50 MET H H 71 8.100 8.069 0.031 1
1 360 . 15 1 1 A 50 50 MET N N 71 125.230 120.997 4.233 1
1 361 . 15 1 1 A 50 50 MET HA H 71 3.060 4.745 -1.685 1
1 369 . 15 1 1 A 51 51 PRO HA H 72 3.740 4.397 -0.657 1
1 373 . 15 1 1 A 52 52 GLY H H 73 7.670 8.204 -0.534 1
1 374 . 15 1 1 A 52 52 GLY N N 73 103.400 109.059 -5.659 1
1 375 . 15 1 1 A 52 52 GLY HA2 H 73 2.660 4.033 -1.373 1
1 376 . 15 1 1 A 52 52 GLY HA3 H 73 3.060 4.042 -0.982 1
1 377 . 15 1 1 A 53 53 GLY H H 74 7.530 9.036 -1.506 1
1 378 . 15 1 1 A 53 53 GLY N N 74 106.030 109.505 -3.475 1
1 379 . 15 1 1 A 53 53 GLY HA2 H 74 3.370 3.924 -0.554 1
1 380 . 15 1 1 A 53 53 GLY HA3 H 74 3.560 3.927 -0.367 1
1 381 . 15 1 1 A 54 54 ILE H H 75 9.500 8.122 1.378 1
1 382 . 15 1 1 A 54 54 ILE N N 75 124.150 118.910 5.240 1
1 383 . 15 1 1 A 54 54 ILE HA H 75 3.370 3.896 -0.526 1
1 393 . 15 1 1 A 55 55 ALA H H 76 6.620 7.626 -1.006 1
1 394 . 15 1 1 A 55 55 ALA N N 76 113.950 120.758 -6.808 1
1 395 . 15 1 1 A 55 55 ALA HA H 76 4.420 4.957 -0.537 1
1 399 . 15 1 1 A 56 56 LYS H H 77 8.420 8.936 -0.516 1
1 400 . 15 1 1 A 56 56 LYS N N 77 114.790 120.180 -5.390 1
1 401 . 15 1 1 A 56 56 LYS HA H 77 4.320 4.811 -0.491 1
1 407 . 15 1 1 A 57 57 GLY H H 78 8.420 8.755 -0.335 1
1 408 . 15 1 1 A 57 57 GLY N N 78 107.590 110.126 -2.536 1
1 409 . 15 1 1 A 57 57 GLY HA2 H 78 3.640 3.930 -0.290 1
1 410 . 15 1 1 A 57 57 GLY HA3 H 78 3.740 3.932 -0.192 1
1 411 . 15 1 1 A 58 58 ALA H H 79 8.690 8.758 -0.068 1
1 412 . 15 1 1 A 58 58 ALA N N 79 127.150 128.557 -1.407 1
1 413 . 15 1 1 A 58 58 ALA HA H 79 4.040 4.124 -0.084 1
1 417 . 15 1 1 A 59 59 GLU H H 80 8.200 7.956 0.244 1
1 418 . 15 1 1 A 59 59 GLU N N 80 117.910 118.579 -0.669 1
1 419 . 15 1 1 A 59 59 GLU HA H 80 3.890 3.992 -0.102 1
1 424 . 15 1 1 A 60 60 ALA H H 81 6.820 7.979 -1.159 1
1 425 . 15 1 1 A 60 60 ALA N N 81 120.190 121.136 -0.946 1
1 426 . 15 1 1 A 60 60 ALA HA H 81 3.520 4.128 -0.608 1
1 430 . 15 1 1 A 61 61 GLU H H 82 7.940 8.353 -0.413 1
1 431 . 15 1 1 A 61 61 GLU N N 82 114.910 118.426 -3.516 1
1 432 . 15 1 1 A 61 61 GLU HA H 82 3.730 4.069 -0.339 1
1 437 . 15 1 1 A 62 62 ALA H H 83 7.910 8.330 -0.420 1
1 438 . 15 1 1 A 62 62 ALA N N 83 120.670 122.446 -1.776 1
1 439 . 15 1 1 A 62 62 ALA HA H 83 4.190 4.108 0.082 1
1 443 . 15 1 1 A 63 63 VAL H H 84 8.130 8.313 -0.183 1
1 444 . 15 1 1 A 63 63 VAL N N 84 119.230 118.080 1.150 1
1 445 . 15 1 1 A 63 63 VAL HA H 84 3.610 3.840 -0.230 1
1 453 . 15 1 1 A 64 64 ALA H H 85 8.600 8.837 -0.237 1
1 454 . 15 1 1 A 64 64 ALA N N 85 121.750 121.284 0.466 1
1 455 . 15 1 1 A 64 64 ALA HA H 85 4.080 3.918 0.162 1
1 459 . 15 1 1 A 65 65 ALA H H 86 7.690 8.384 -0.694 1
1 460 . 15 1 1 A 65 65 ALA N N 86 117.310 118.713 -1.403 1
1 461 . 15 1 1 A 65 65 ALA HA H 86 3.860 4.043 -0.183 1
1 465 . 15 1 1 A 66 66 TRP H H 87 7.810 8.356 -0.546 1
1 466 . 15 1 1 A 66 66 TRP N N 87 119.230 120.839 -1.609 1
1 467 . 15 1 1 A 66 66 TRP HA H 87 4.180 4.230 -0.050 1
1 476 . 15 1 1 A 67 67 LEU H H 88 9.070 8.814 0.256 1
1 477 . 15 1 1 A 67 67 LEU N N 88 118.630 120.955 -2.325 1
1 478 . 15 1 1 A 67 67 LEU HA H 88 3.760 3.367 0.393 1
1 488 . 15 1 1 A 68 68 ALA H H 89 8.100 8.807 -0.707 1
1 489 . 15 1 1 A 68 68 ALA N N 89 118.030 120.774 -2.744 1
1 490 . 15 1 1 A 68 68 ALA HA H 89 3.780 3.851 -0.071 1
1 494 . 15 1 1 A 69 69 GLU H H 90 6.710 8.091 -1.381 1
1 495 . 15 1 1 A 69 69 GLU N N 90 111.670 118.556 -6.886 1
1 496 . 15 1 1 A 69 69 GLU HA H 90 4.090 4.021 0.069 1
1 501 . 15 1 1 A 70 70 LYS H H 91 7.460 7.832 -0.372 1
1 502 . 15 1 1 A 70 70 LYS N N 91 122.830 119.262 3.568 1
1 503 . 15 1 1 A 70 70 LYS HA H 91 3.980 3.845 0.135 1
1 9 . 16 1 1 A 2 2 ASP H H 23 8.490 8.826 -0.336 1
1 10 . 16 1 1 A 2 2 ASP N N 23 126.550 128.017 -1.467 1
1 11 . 16 1 1 A 2 2 ASP HA H 23 4.480 4.532 -0.052 1
1 14 . 16 1 1 A 3 3 ALA H H 24 8.280 8.092 0.188 1
1 15 . 16 1 1 A 3 3 ALA N N 24 126.910 127.963 -1.053 1
1 16 . 16 1 1 A 3 3 ALA HA H 24 3.420 3.736 -0.316 1
1 20 . 16 1 1 A 4 4 GLU H H 25 7.590 7.428 0.162 1
1 21 . 16 1 1 A 4 4 GLU N N 25 115.030 116.077 -1.047 1
1 22 . 16 1 1 A 4 4 GLU HA H 25 2.600 2.678 -0.078 1
1 27 . 16 1 1 A 5 5 ALA H H 26 7.060 7.582 -0.522 1
1 28 . 16 1 1 A 5 5 ALA N N 26 120.430 121.662 -1.232 1
1 29 . 16 1 1 A 5 5 ALA HA H 26 3.910 3.926 -0.016 1
1 33 . 16 1 1 A 6 6 VAL H H 27 7.550 7.962 -0.412 1
1 34 . 16 1 1 A 6 6 VAL N N 27 118.870 118.710 0.160 1
1 35 . 16 1 1 A 6 6 VAL HA H 27 3.570 3.549 0.021 1
1 43 . 16 1 1 A 7 7 VAL H H 28 8.090 8.163 -0.073 1
1 44 . 16 1 1 A 7 7 VAL N N 28 120.550 119.539 1.011 1
1 45 . 16 1 1 A 7 7 VAL HA H 28 4.010 3.665 0.345 1
1 53 . 16 1 1 A 8 8 GLN H H 29 7.830 8.294 -0.464 1
1 54 . 16 1 1 A 8 8 GLN N N 29 117.070 119.134 -2.064 1
1 55 . 16 1 1 A 8 8 GLN HA H 29 3.860 4.241 -0.381 1
1 63 . 16 1 1 A 9 9 GLN H H 30 7.640 8.079 -0.439 1
1 64 . 16 1 1 A 9 9 GLN N N 30 115.630 118.427 -2.797 1
1 65 . 16 1 1 A 9 9 GLN HA H 30 4.210 4.630 -0.420 1
1 73 . 16 1 1 A 10 10 LYS H H 31 8.760 7.807 0.953 1
1 74 . 16 1 1 A 10 10 LYS N N 31 113.830 118.658 -4.828 1
1 75 . 16 1 1 A 10 10 LYS HA H 31 4.860 4.419 0.441 1
1 83 . 16 1 1 A 11 11 CYS H H 32 8.770 8.590 0.180 1
1 84 . 16 1 1 A 11 11 CYS N N 32 114.980 115.869 -0.889 1
1 85 . 16 1 1 A 11 11 CYS HA H 32 6.040 4.631 1.409 1
1 88 . 16 1 1 A 12 12 ILE H H 33 6.960 8.064 -1.104 1
1 89 . 16 1 1 A 12 12 ILE N N 33 110.470 119.918 -9.448 1
1 90 . 16 1 1 A 12 12 ILE HA H 33 3.200 3.935 -0.735 1
1 97 . 16 1 1 A 13 13 SER H H 34 8.520 8.059 0.461 1
1 98 . 16 1 1 A 13 13 SER N N 34 119.350 117.627 1.723 1
1 99 . 16 1 1 A 13 13 SER HA H 34 3.870 4.131 -0.261 1
1 102 . 16 1 1 A 14 14 CYS H H 35 6.100 8.104 -2.004 1
1 103 . 16 1 1 A 14 14 CYS N N 35 114.670 116.622 -1.952 1
1 104 . 16 1 1 A 14 14 CYS HA H 35 4.370 4.550 -0.180 1
1 107 . 16 1 1 A 15 15 HIS H H 36 6.120 8.274 -2.154 1
1 108 . 16 1 1 A 15 15 HIS N N 36 112.870 116.287 -3.417 1
1 109 . 16 1 1 A 15 15 HIS HA H 36 2.580 4.572 -1.992 1
1 116 . 16 1 1 A 16 16 GLY H H 37 7.080 8.140 -1.060 1
1 117 . 16 1 1 A 16 16 GLY N N 37 106.750 107.810 -1.060 1
1 118 . 16 1 1 A 16 16 GLY HA2 H 37 3.200 4.002 -0.802 1
1 119 . 16 1 1 A 16 16 GLY HA3 H 37 3.920 4.008 -0.088 1
1 120 . 16 1 1 A 17 17 GLY H H 38 8.310 8.814 -0.504 1
1 121 . 16 1 1 A 17 17 GLY N N 38 108.070 110.325 -2.255 1
1 122 . 16 1 1 A 17 17 GLY HA2 H 38 3.440 3.888 -0.448 1
1 123 . 16 1 1 A 17 17 GLY HA3 H 38 3.670 3.897 -0.227 1
1 124 . 16 1 1 A 18 18 ASP H H 39 7.420 7.855 -0.435 1
1 125 . 16 1 1 A 18 18 ASP N N 39 115.870 120.835 -4.965 1
1 126 . 16 1 1 A 18 18 ASP HA H 39 4.460 4.792 -0.332 1
1 129 . 16 1 1 A 19 19 LEU H H 40 7.460 8.278 -0.818 1
1 130 . 16 1 1 A 19 19 LEU N N 40 109.030 116.282 -7.252 1
1 131 . 16 1 1 A 19 19 LEU HA H 40 3.150 4.140 -0.990 1
1 141 . 16 1 1 A 20 20 THR H H 41 7.390 8.159 -0.769 1
1 142 . 16 1 1 A 20 20 THR N N 41 105.670 111.213 -5.543 1
1 143 . 16 1 1 A 20 20 THR HA H 41 3.950 4.310 -0.360 1
1 148 . 16 1 1 A 21 21 GLY H H 42 7.610 8.268 -0.658 1
1 149 . 16 1 1 A 21 21 GLY N N 42 111.310 110.230 1.080 1
1 150 . 16 1 1 A 21 21 GLY HA2 H 42 2.600 4.118 -1.518 1
1 151 . 16 1 1 A 21 21 GLY HA3 H 42 3.980 4.153 -0.173 1
1 152 . 16 1 1 A 22 22 ALA H H 43 7.480 8.127 -0.647 1
1 153 . 16 1 1 A 22 22 ALA N N 43 125.590 124.868 0.722 1
1 154 . 16 1 1 A 22 22 ALA HA H 43 3.980 4.541 -0.561 1
1 158 . 16 1 1 A 23 23 SER H H 44 7.760 8.240 -0.480 1
1 159 . 16 1 1 A 23 23 SER N N 44 118.630 112.499 6.131 1
1 160 . 16 1 1 A 23 23 SER HA H 44 4.080 4.573 -0.493 1
1 163 . 16 1 1 A 24 24 ALA H H 45 7.300 7.580 -0.280 1
1 164 . 16 1 1 A 24 24 ALA N N 45 125.110 121.449 3.661 1
1 165 . 16 1 1 A 24 24 ALA HA H 45 4.170 4.695 -0.525 1
1 169 . 16 1 1 A 25 25 PRO HA H 46 3.910 4.623 -0.713 1
1 176 . 16 1 1 A 26 26 ALA H H 47 7.920 8.380 -0.460 1
1 177 . 16 1 1 A 26 26 ALA N N 47 120.310 124.585 -4.275 1
1 178 . 16 1 1 A 26 26 ALA HA H 47 3.370 4.483 -1.113 1
1 182 . 16 1 1 A 27 27 ILE H H 48 7.770 8.599 -0.829 1
1 183 . 16 1 1 A 27 27 ILE N N 48 112.150 118.940 -6.790 1
1 184 . 16 1 1 A 27 27 ILE HA H 48 4.170 4.512 -0.342 1
1 194 . 16 1 1 A 28 28 ASP H H 49 8.250 8.476 -0.226 1
1 195 . 16 1 1 A 28 28 ASP N N 49 119.980 123.906 -3.926 1
1 196 . 16 1 1 A 28 28 ASP HA H 49 3.600 4.230 -0.630 1
1 199 . 16 1 1 A 29 29 LYS H H 50 7.720 7.679 0.041 1
1 200 . 16 1 1 A 29 29 LYS N N 50 117.430 117.071 0.359 1
1 201 . 16 1 1 A 29 29 LYS HA H 50 4.220 4.298 -0.078 1
1 209 . 16 1 1 A 30 30 ALA H H 51 7.130 8.198 -1.068 1
1 210 . 16 1 1 A 30 30 ALA N N 51 121.030 122.833 -1.803 1
1 211 . 16 1 1 A 30 30 ALA HA H 51 4.240 3.878 0.362 1
1 215 . 16 1 1 A 31 31 GLY H H 52 8.290 8.360 -0.070 1
1 216 . 16 1 1 A 31 31 GLY N N 52 103.990 105.538 -1.548 1
1 217 . 16 1 1 A 31 31 GLY HA2 H 52 3.670 3.724 -0.054 1
1 218 . 16 1 1 A 31 31 GLY HA3 H 52 4.370 3.768 0.602 1
1 219 . 16 1 1 A 32 32 ALA H H 53 7.970 8.005 -0.035 1
1 220 . 16 1 1 A 32 32 ALA N N 53 120.670 124.758 -4.088 1
1 221 . 16 1 1 A 32 32 ALA HA H 53 4.160 3.931 0.229 1
1 225 . 16 1 1 A 33 33 ASN H H 54 7.490 8.078 -0.588 1
1 226 . 16 1 1 A 33 33 ASN N N 54 113.350 114.251 -0.901 1
1 227 . 16 1 1 A 33 33 ASN HA H 54 4.590 4.533 0.057 1
1 233 . 16 1 1 A 34 34 TYR H H 55 8.070 7.918 0.152 1
1 234 . 16 1 1 A 34 34 TYR N N 55 118.270 115.296 2.974 1
1 235 . 16 1 1 A 34 34 TYR HA H 55 5.020 5.215 -0.195 1
1 240 . 16 1 1 A 35 35 SER H H 56 9.110 9.505 -0.395 1
1 241 . 16 1 1 A 35 35 SER N N 56 114.910 117.381 -2.471 1
1 242 . 16 1 1 A 35 35 SER HA H 56 4.560 4.937 -0.377 1
1 245 . 16 1 1 A 36 36 GLU H H 57 9.020 9.025 -0.005 1
1 246 . 16 1 1 A 36 36 GLU N N 57 121.630 123.602 -1.972 1
1 247 . 16 1 1 A 36 36 GLU HA H 57 3.670 4.051 -0.381 1
1 251 . 16 1 1 A 37 37 GLU H H 58 8.680 8.306 0.374 1
1 252 . 16 1 1 A 37 37 GLU N N 58 116.230 119.562 -3.332 1
1 253 . 16 1 1 A 37 37 GLU HA H 58 3.810 4.088 -0.278 1
1 258 . 16 1 1 A 38 38 GLU H H 59 7.710 8.217 -0.507 1
1 259 . 16 1 1 A 38 38 GLU N N 59 120.070 119.651 0.419 1
1 260 . 16 1 1 A 38 38 GLU HA H 59 3.940 4.022 -0.082 1
1 265 . 16 1 1 A 39 39 ILE H H 60 8.370 8.007 0.363 1
1 266 . 16 1 1 A 39 39 ILE N N 60 119.710 120.776 -1.066 1
1 267 . 16 1 1 A 39 39 ILE HA H 60 3.360 3.683 -0.323 1
1 276 . 16 1 1 A 40 40 LEU H H 61 8.380 8.496 -0.116 1
1 277 . 16 1 1 A 40 40 LEU N N 61 119.710 121.373 -1.663 1
1 278 . 16 1 1 A 40 40 LEU HA H 61 3.690 3.965 -0.275 1
1 288 . 16 1 1 A 41 41 ASP H H 62 7.410 8.511 -1.101 1
1 289 . 16 1 1 A 41 41 ASP N N 62 116.590 118.378 -1.788 1
1 290 . 16 1 1 A 41 41 ASP HA H 62 4.010 4.273 -0.263 1
1 293 . 16 1 1 A 42 42 ILE H H 63 7.240 8.170 -0.930 1
1 294 . 16 1 1 A 42 42 ILE N N 63 120.430 118.772 1.658 1
1 295 . 16 1 1 A 42 42 ILE HA H 63 2.540 3.701 -1.161 1
1 305 . 16 1 1 A 43 43 ILE H H 64 7.550 8.655 -1.105 1
1 306 . 16 1 1 A 43 43 ILE N N 64 116.230 121.105 -4.875 1
1 307 . 16 1 1 A 43 43 ILE HA H 64 2.250 3.555 -1.305 1
1 317 . 16 1 1 A 44 44 LEU H H 65 8.560 8.501 0.059 1
1 318 . 16 1 1 A 44 44 LEU N N 65 115.630 118.637 -3.007 1
1 319 . 16 1 1 A 44 44 LEU HA H 65 3.700 4.038 -0.338 1
1 329 . 16 1 1 A 45 45 ASN H H 66 8.200 8.704 -0.504 1
1 330 . 16 1 1 A 45 45 ASN N N 66 112.510 115.120 -2.610 1
1 331 . 16 1 1 A 45 45 ASN HA H 66 4.460 4.768 -0.308 1
1 337 . 16 1 1 A 46 46 GLY H H 67 7.480 7.920 -0.440 1
1 338 . 16 1 1 A 46 46 GLY N N 67 111.910 104.046 7.864 1
1 339 . 16 1 1 A 46 46 GLY HA2 H 67 2.060 4.117 -2.057 1
1 340 . 16 1 1 A 46 46 GLY HA3 H 67 3.210 4.129 -0.919 1
1 341 . 16 1 1 A 47 47 GLN H H 68 6.470 7.894 -1.424 1
1 342 . 16 1 1 A 47 47 GLN N N 68 114.550 119.379 -4.829 1
1 343 . 16 1 1 A 47 47 GLN HA H 68 3.730 4.708 -0.978 1
1 351 . 16 1 1 A 48 48 GLY H H 69 8.680 8.869 -0.189 1
1 352 . 16 1 1 A 48 48 GLY N N 69 115.150 115.881 -0.731 1
1 353 . 16 1 1 A 48 48 GLY HA2 H 69 3.440 3.863 -0.423 1
1 354 . 16 1 1 A 48 48 GLY HA3 H 69 3.740 3.868 -0.128 1
1 355 . 16 1 1 A 49 49 GLY H H 70 9.620 8.969 0.651 1
1 356 . 16 1 1 A 49 49 GLY N N 70 114.790 115.066 -0.276 1
1 357 . 16 1 1 A 49 49 GLY HA2 H 70 3.850 3.931 -0.081 1
1 358 . 16 1 1 A 49 49 GLY HA3 H 70 3.980 3.934 0.046 1
1 359 . 16 1 1 A 50 50 MET H H 71 8.100 7.984 0.116 1
1 360 . 16 1 1 A 50 50 MET N N 71 125.230 121.372 3.858 1
1 361 . 16 1 1 A 50 50 MET HA H 71 3.060 4.644 -1.584 1
1 369 . 16 1 1 A 51 51 PRO HA H 72 3.740 4.394 -0.654 1
1 373 . 16 1 1 A 52 52 GLY H H 73 7.670 8.301 -0.631 1
1 374 . 16 1 1 A 52 52 GLY N N 73 103.400 109.123 -5.723 1
1 375 . 16 1 1 A 52 52 GLY HA2 H 73 2.660 4.071 -1.411 1
1 376 . 16 1 1 A 52 52 GLY HA3 H 73 3.060 4.081 -1.021 1
1 377 . 16 1 1 A 53 53 GLY H H 74 7.530 9.038 -1.508 1
1 378 . 16 1 1 A 53 53 GLY N N 74 106.030 109.260 -3.230 1
1 379 . 16 1 1 A 53 53 GLY HA2 H 74 3.370 3.934 -0.564 1
1 380 . 16 1 1 A 53 53 GLY HA3 H 74 3.560 3.936 -0.376 1
1 381 . 16 1 1 A 54 54 ILE H H 75 9.500 8.131 1.369 1
1 382 . 16 1 1 A 54 54 ILE N N 75 124.150 118.864 5.286 1
1 383 . 16 1 1 A 54 54 ILE HA H 75 3.370 3.918 -0.548 1
1 393 . 16 1 1 A 55 55 ALA H H 76 6.620 7.636 -1.016 1
1 394 . 16 1 1 A 55 55 ALA N N 76 113.950 120.567 -6.617 1
1 395 . 16 1 1 A 55 55 ALA HA H 76 4.420 4.935 -0.515 1
1 399 . 16 1 1 A 56 56 LYS H H 77 8.420 8.930 -0.510 1
1 400 . 16 1 1 A 56 56 LYS N N 77 114.790 119.643 -4.853 1
1 401 . 16 1 1 A 56 56 LYS HA H 77 4.320 4.810 -0.490 1
1 407 . 16 1 1 A 57 57 GLY H H 78 8.420 8.750 -0.330 1
1 408 . 16 1 1 A 57 57 GLY N N 78 107.590 110.063 -2.473 1
1 409 . 16 1 1 A 57 57 GLY HA2 H 78 3.640 3.917 -0.277 1
1 410 . 16 1 1 A 57 57 GLY HA3 H 78 3.740 3.920 -0.180 1
1 411 . 16 1 1 A 58 58 ALA H H 79 8.690 8.711 -0.021 1
1 412 . 16 1 1 A 58 58 ALA N N 79 127.150 128.274 -1.124 1
1 413 . 16 1 1 A 58 58 ALA HA H 79 4.040 4.043 -0.003 1
1 417 . 16 1 1 A 59 59 GLU H H 80 8.200 8.025 0.175 1
1 418 . 16 1 1 A 59 59 GLU N N 80 117.910 118.147 -0.237 1
1 419 . 16 1 1 A 59 59 GLU HA H 80 3.890 4.001 -0.111 1
1 424 . 16 1 1 A 60 60 ALA H H 81 6.820 7.892 -1.072 1
1 425 . 16 1 1 A 60 60 ALA N N 81 120.190 120.918 -0.728 1
1 426 . 16 1 1 A 60 60 ALA HA H 81 3.520 4.102 -0.582 1
1 430 . 16 1 1 A 61 61 GLU H H 82 7.940 8.427 -0.487 1
1 431 . 16 1 1 A 61 61 GLU N N 82 114.910 118.472 -3.562 1
1 432 . 16 1 1 A 61 61 GLU HA H 82 3.730 4.054 -0.324 1
1 437 . 16 1 1 A 62 62 ALA H H 83 7.910 8.200 -0.290 1
1 438 . 16 1 1 A 62 62 ALA N N 83 120.670 122.274 -1.604 1
1 439 . 16 1 1 A 62 62 ALA HA H 83 4.190 4.120 0.070 1
1 443 . 16 1 1 A 63 63 VAL H H 84 8.130 8.258 -0.128 1
1 444 . 16 1 1 A 63 63 VAL N N 84 119.230 118.252 0.978 1
1 445 . 16 1 1 A 63 63 VAL HA H 84 3.610 3.837 -0.227 1
1 453 . 16 1 1 A 64 64 ALA H H 85 8.600 8.937 -0.337 1
1 454 . 16 1 1 A 64 64 ALA N N 85 121.750 121.589 0.161 1
1 455 . 16 1 1 A 64 64 ALA HA H 85 4.080 3.982 0.098 1
1 459 . 16 1 1 A 65 65 ALA H H 86 7.690 8.186 -0.496 1
1 460 . 16 1 1 A 65 65 ALA N N 86 117.310 119.134 -1.824 1
1 461 . 16 1 1 A 65 65 ALA HA H 86 3.860 4.053 -0.193 1
1 465 . 16 1 1 A 66 66 TRP H H 87 7.810 8.338 -0.528 1
1 466 . 16 1 1 A 66 66 TRP N N 87 119.230 120.731 -1.501 1
1 467 . 16 1 1 A 66 66 TRP HA H 87 4.180 4.250 -0.070 1
1 476 . 16 1 1 A 67 67 LEU H H 88 9.070 8.549 0.521 1
1 477 . 16 1 1 A 67 67 LEU N N 88 118.630 120.772 -2.142 1
1 478 . 16 1 1 A 67 67 LEU HA H 88 3.760 3.672 0.088 1
1 488 . 16 1 1 A 68 68 ALA H H 89 8.100 8.804 -0.704 1
1 489 . 16 1 1 A 68 68 ALA N N 89 118.030 121.501 -3.471 1
1 490 . 16 1 1 A 68 68 ALA HA H 89 3.780 3.937 -0.157 1
1 494 . 16 1 1 A 69 69 GLU H H 90 6.710 8.632 -1.922 1
1 495 . 16 1 1 A 69 69 GLU N N 90 111.670 115.643 -3.973 1
1 496 . 16 1 1 A 69 69 GLU HA H 90 4.090 4.109 -0.019 1
1 501 . 16 1 1 A 70 70 LYS H H 91 7.460 7.808 -0.348 1
1 502 . 16 1 1 A 70 70 LYS N N 91 122.830 120.609 2.221 1
1 503 . 16 1 1 A 70 70 LYS HA H 91 3.980 3.956 0.024 1
1 9 . 17 1 1 A 2 2 ASP H H 23 8.490 8.848 -0.358 1
1 10 . 17 1 1 A 2 2 ASP N N 23 126.550 128.835 -2.285 1
1 11 . 17 1 1 A 2 2 ASP HA H 23 4.480 4.598 -0.118 1
1 14 . 17 1 1 A 3 3 ALA H H 24 8.280 8.558 -0.278 1
1 15 . 17 1 1 A 3 3 ALA N N 24 126.910 128.153 -1.243 1
1 16 . 17 1 1 A 3 3 ALA HA H 24 3.420 3.755 -0.335 1
1 20 . 17 1 1 A 4 4 GLU H H 25 7.590 7.553 0.037 1
1 21 . 17 1 1 A 4 4 GLU N N 25 115.030 116.137 -1.107 1
1 22 . 17 1 1 A 4 4 GLU HA H 25 2.600 2.221 0.379 1
1 27 . 17 1 1 A 5 5 ALA H H 26 7.060 7.715 -0.655 1
1 28 . 17 1 1 A 5 5 ALA N N 26 120.430 121.886 -1.456 1
1 29 . 17 1 1 A 5 5 ALA HA H 26 3.910 3.929 -0.019 1
1 33 . 17 1 1 A 6 6 VAL H H 27 7.550 8.174 -0.624 1
1 34 . 17 1 1 A 6 6 VAL N N 27 118.870 118.284 0.586 1
1 35 . 17 1 1 A 6 6 VAL HA H 27 3.570 3.566 0.004 1
1 43 . 17 1 1 A 7 7 VAL H H 28 8.090 7.884 0.206 1
1 44 . 17 1 1 A 7 7 VAL N N 28 120.550 119.538 1.012 1
1 45 . 17 1 1 A 7 7 VAL HA H 28 4.010 3.726 0.284 1
1 53 . 17 1 1 A 8 8 GLN H H 29 7.830 8.277 -0.447 1
1 54 . 17 1 1 A 8 8 GLN N N 29 117.070 117.873 -0.803 1
1 55 . 17 1 1 A 8 8 GLN HA H 29 3.860 4.250 -0.390 1
1 63 . 17 1 1 A 9 9 GLN H H 30 7.640 8.351 -0.711 1
1 64 . 17 1 1 A 9 9 GLN N N 30 115.630 119.745 -4.115 1
1 65 . 17 1 1 A 9 9 GLN HA H 30 4.210 4.687 -0.477 1
1 73 . 17 1 1 A 10 10 LYS H H 31 8.760 8.592 0.168 1
1 74 . 17 1 1 A 10 10 LYS N N 31 113.830 117.427 -3.597 1
1 75 . 17 1 1 A 10 10 LYS HA H 31 4.860 4.456 0.404 1
1 83 . 17 1 1 A 11 11 CYS H H 32 8.770 8.268 0.502 1
1 84 . 17 1 1 A 11 11 CYS N N 32 114.980 115.902 -0.922 1
1 85 . 17 1 1 A 11 11 CYS HA H 32 6.040 4.699 1.341 1
1 88 . 17 1 1 A 12 12 ILE H H 33 6.960 8.282 -1.322 1
1 89 . 17 1 1 A 12 12 ILE N N 33 110.470 119.824 -9.354 1
1 90 . 17 1 1 A 12 12 ILE HA H 33 3.200 3.963 -0.763 1
1 97 . 17 1 1 A 13 13 SER H H 34 8.520 8.040 0.480 1
1 98 . 17 1 1 A 13 13 SER N N 34 119.350 117.593 1.757 1
1 99 . 17 1 1 A 13 13 SER HA H 34 3.870 4.110 -0.240 1
1 102 . 17 1 1 A 14 14 CYS H H 35 6.100 8.103 -2.003 1
1 103 . 17 1 1 A 14 14 CYS N N 35 114.670 117.043 -2.373 1
1 104 . 17 1 1 A 14 14 CYS HA H 35 4.370 4.551 -0.181 1
1 107 . 17 1 1 A 15 15 HIS H H 36 6.120 8.290 -2.170 1
1 108 . 17 1 1 A 15 15 HIS N N 36 112.870 117.107 -4.237 1
1 109 . 17 1 1 A 15 15 HIS HA H 36 2.580 4.482 -1.902 1
1 116 . 17 1 1 A 16 16 GLY H H 37 7.080 8.392 -1.312 1
1 117 . 17 1 1 A 16 16 GLY N N 37 106.750 106.704 0.046 1
1 118 . 17 1 1 A 16 16 GLY HA2 H 37 3.200 3.951 -0.751 1
1 119 . 17 1 1 A 16 16 GLY HA3 H 37 3.920 3.964 -0.044 1
1 120 . 17 1 1 A 17 17 GLY H H 38 8.310 8.521 -0.211 1
1 121 . 17 1 1 A 17 17 GLY N N 38 108.070 110.694 -2.624 1
1 122 . 17 1 1 A 17 17 GLY HA2 H 38 3.440 4.066 -0.626 1
1 123 . 17 1 1 A 17 17 GLY HA3 H 38 3.670 4.075 -0.405 1
1 124 . 17 1 1 A 18 18 ASP H H 39 7.420 8.142 -0.722 1
1 125 . 17 1 1 A 18 18 ASP N N 39 115.870 121.202 -5.332 1
1 126 . 17 1 1 A 18 18 ASP HA H 39 4.460 4.795 -0.335 1
1 129 . 17 1 1 A 19 19 LEU H H 40 7.460 7.981 -0.521 1
1 130 . 17 1 1 A 19 19 LEU N N 40 109.030 116.266 -7.236 1
1 131 . 17 1 1 A 19 19 LEU HA H 40 3.150 4.103 -0.953 1
1 141 . 17 1 1 A 20 20 THR H H 41 7.390 8.203 -0.813 1
1 142 . 17 1 1 A 20 20 THR N N 41 105.670 111.445 -5.775 1
1 143 . 17 1 1 A 20 20 THR HA H 41 3.950 4.312 -0.362 1
1 148 . 17 1 1 A 21 21 GLY H H 42 7.610 8.063 -0.453 1
1 149 . 17 1 1 A 21 21 GLY N N 42 111.310 110.456 0.854 1
1 150 . 17 1 1 A 21 21 GLY HA2 H 42 2.600 4.105 -1.505 1
1 151 . 17 1 1 A 21 21 GLY HA3 H 42 3.980 4.149 -0.169 1
1 152 . 17 1 1 A 22 22 ALA H H 43 7.480 8.422 -0.942 1
1 153 . 17 1 1 A 22 22 ALA N N 43 125.590 125.752 -0.162 1
1 154 . 17 1 1 A 22 22 ALA HA H 43 3.980 4.504 -0.524 1
1 158 . 17 1 1 A 23 23 SER H H 44 7.760 8.319 -0.559 1
1 159 . 17 1 1 A 23 23 SER N N 44 118.630 113.234 5.396 1
1 160 . 17 1 1 A 23 23 SER HA H 44 4.080 4.573 -0.493 1
1 163 . 17 1 1 A 24 24 ALA H H 45 7.300 7.564 -0.264 1
1 164 . 17 1 1 A 24 24 ALA N N 45 125.110 121.476 3.634 1
1 165 . 17 1 1 A 24 24 ALA HA H 45 4.170 4.709 -0.539 1
1 169 . 17 1 1 A 25 25 PRO HA H 46 3.910 4.644 -0.734 1
1 176 . 17 1 1 A 26 26 ALA H H 47 7.920 8.373 -0.453 1
1 177 . 17 1 1 A 26 26 ALA N N 47 120.310 124.698 -4.388 1
1 178 . 17 1 1 A 26 26 ALA HA H 47 3.370 4.458 -1.088 1
1 182 . 17 1 1 A 27 27 ILE H H 48 7.770 8.705 -0.935 1
1 183 . 17 1 1 A 27 27 ILE N N 48 112.150 118.818 -6.668 1
1 184 . 17 1 1 A 27 27 ILE HA H 48 4.170 4.595 -0.425 1
1 194 . 17 1 1 A 28 28 ASP H H 49 8.250 8.625 -0.375 1
1 195 . 17 1 1 A 28 28 ASP N N 49 119.980 123.957 -3.977 1
1 196 . 17 1 1 A 28 28 ASP HA H 49 3.600 4.152 -0.552 1
1 199 . 17 1 1 A 29 29 LYS H H 50 7.720 7.633 0.087 1
1 200 . 17 1 1 A 29 29 LYS N N 50 117.430 117.371 0.059 1
1 201 . 17 1 1 A 29 29 LYS HA H 50 4.220 4.304 -0.084 1
1 209 . 17 1 1 A 30 30 ALA H H 51 7.130 7.978 -0.848 1
1 210 . 17 1 1 A 30 30 ALA N N 51 121.030 122.994 -1.964 1
1 211 . 17 1 1 A 30 30 ALA HA H 51 4.240 3.965 0.275 1
1 215 . 17 1 1 A 31 31 GLY H H 52 8.290 8.380 -0.090 1
1 216 . 17 1 1 A 31 31 GLY N N 52 103.990 107.323 -3.333 1
1 217 . 17 1 1 A 31 31 GLY HA2 H 52 3.670 3.861 -0.191 1
1 218 . 17 1 1 A 31 31 GLY HA3 H 52 4.370 3.904 0.466 1
1 219 . 17 1 1 A 32 32 ALA H H 53 7.970 7.992 -0.022 1
1 220 . 17 1 1 A 32 32 ALA N N 53 120.670 124.051 -3.381 1
1 221 . 17 1 1 A 32 32 ALA HA H 53 4.160 4.053 0.107 1
1 225 . 17 1 1 A 33 33 ASN H H 54 7.490 7.930 -0.440 1
1 226 . 17 1 1 A 33 33 ASN N N 54 113.350 114.257 -0.907 1
1 227 . 17 1 1 A 33 33 ASN HA H 54 4.590 4.552 0.038 1
1 233 . 17 1 1 A 34 34 TYR H H 55 8.070 8.211 -0.141 1
1 234 . 17 1 1 A 34 34 TYR N N 55 118.270 115.405 2.865 1
1 235 . 17 1 1 A 34 34 TYR HA H 55 5.020 5.399 -0.379 1
1 240 . 17 1 1 A 35 35 SER H H 56 9.110 9.704 -0.594 1
1 241 . 17 1 1 A 35 35 SER N N 56 114.910 120.066 -5.156 1
1 242 . 17 1 1 A 35 35 SER HA H 56 4.560 4.619 -0.059 1
1 245 . 17 1 1 A 36 36 GLU H H 57 9.020 9.067 -0.047 1
1 246 . 17 1 1 A 36 36 GLU N N 57 121.630 123.436 -1.806 1
1 247 . 17 1 1 A 36 36 GLU HA H 57 3.670 4.065 -0.395 1
1 251 . 17 1 1 A 37 37 GLU H H 58 8.680 8.314 0.366 1
1 252 . 17 1 1 A 37 37 GLU N N 58 116.230 119.386 -3.156 1
1 253 . 17 1 1 A 37 37 GLU HA H 58 3.810 4.119 -0.309 1
1 258 . 17 1 1 A 38 38 GLU H H 59 7.710 8.086 -0.376 1
1 259 . 17 1 1 A 38 38 GLU N N 59 120.070 119.584 0.486 1
1 260 . 17 1 1 A 38 38 GLU HA H 59 3.940 4.048 -0.108 1
1 265 . 17 1 1 A 39 39 ILE H H 60 8.370 8.072 0.298 1
1 266 . 17 1 1 A 39 39 ILE N N 60 119.710 120.932 -1.222 1
1 267 . 17 1 1 A 39 39 ILE HA H 60 3.360 3.644 -0.284 1
1 276 . 17 1 1 A 40 40 LEU H H 61 8.380 8.554 -0.174 1
1 277 . 17 1 1 A 40 40 LEU N N 61 119.710 121.350 -1.640 1
1 278 . 17 1 1 A 40 40 LEU HA H 61 3.690 3.960 -0.270 1
1 288 . 17 1 1 A 41 41 ASP H H 62 7.410 8.553 -1.143 1
1 289 . 17 1 1 A 41 41 ASP N N 62 116.590 117.632 -1.042 1
1 290 . 17 1 1 A 41 41 ASP HA H 62 4.010 4.405 -0.395 1
1 293 . 17 1 1 A 42 42 ILE H H 63 7.240 8.147 -0.907 1
1 294 . 17 1 1 A 42 42 ILE N N 63 120.430 119.022 1.408 1
1 295 . 17 1 1 A 42 42 ILE HA H 63 2.540 3.724 -1.184 1
1 305 . 17 1 1 A 43 43 ILE H H 64 7.550 8.415 -0.865 1
1 306 . 17 1 1 A 43 43 ILE N N 64 116.230 121.758 -5.528 1
1 307 . 17 1 1 A 43 43 ILE HA H 64 2.250 3.604 -1.354 1
1 317 . 17 1 1 A 44 44 LEU H H 65 8.560 8.352 0.208 1
1 318 . 17 1 1 A 44 44 LEU N N 65 115.630 119.285 -3.655 1
1 319 . 17 1 1 A 44 44 LEU HA H 65 3.700 3.996 -0.296 1
1 329 . 17 1 1 A 45 45 ASN H H 66 8.200 8.657 -0.457 1
1 330 . 17 1 1 A 45 45 ASN N N 66 112.510 114.585 -2.075 1
1 331 . 17 1 1 A 45 45 ASN HA H 66 4.460 4.716 -0.256 1
1 337 . 17 1 1 A 46 46 GLY H H 67 7.480 8.128 -0.648 1
1 338 . 17 1 1 A 46 46 GLY N N 67 111.910 105.875 6.035 1
1 339 . 17 1 1 A 46 46 GLY HA2 H 67 2.060 4.020 -1.960 1
1 340 . 17 1 1 A 46 46 GLY HA3 H 67 3.210 4.029 -0.819 1
1 341 . 17 1 1 A 47 47 GLN H H 68 6.470 8.179 -1.709 1
1 342 . 17 1 1 A 47 47 GLN N N 68 114.550 119.580 -5.030 1
1 343 . 17 1 1 A 47 47 GLN HA H 68 3.730 4.876 -1.146 1
1 351 . 17 1 1 A 48 48 GLY H H 69 8.680 8.862 -0.182 1
1 352 . 17 1 1 A 48 48 GLY N N 69 115.150 112.054 3.096 1
1 353 . 17 1 1 A 48 48 GLY HA2 H 69 3.440 3.778 -0.338 1
1 354 . 17 1 1 A 48 48 GLY HA3 H 69 3.740 3.778 -0.038 1
1 355 . 17 1 1 A 49 49 GLY H H 70 9.620 8.100 1.520 1
1 356 . 17 1 1 A 49 49 GLY N N 70 114.790 108.072 6.718 1
1 357 . 17 1 1 A 49 49 GLY HA2 H 70 3.850 3.937 -0.087 1
1 358 . 17 1 1 A 49 49 GLY HA3 H 70 3.980 3.942 0.038 1
1 359 . 17 1 1 A 50 50 MET H H 71 8.100 8.044 0.056 1
1 360 . 17 1 1 A 50 50 MET N N 71 125.230 119.700 5.530 1
1 361 . 17 1 1 A 50 50 MET HA H 71 3.060 5.010 -1.950 1
1 369 . 17 1 1 A 51 51 PRO HA H 72 3.740 4.516 -0.776 1
1 373 . 17 1 1 A 52 52 GLY H H 73 7.670 8.586 -0.916 1
1 374 . 17 1 1 A 52 52 GLY N N 73 103.400 108.346 -4.946 1
1 375 . 17 1 1 A 52 52 GLY HA2 H 73 2.660 4.102 -1.442 1
1 376 . 17 1 1 A 52 52 GLY HA3 H 73 3.060 4.106 -1.046 1
1 377 . 17 1 1 A 53 53 GLY H H 74 7.530 8.554 -1.024 1
1 378 . 17 1 1 A 53 53 GLY N N 74 106.030 113.166 -7.136 1
1 379 . 17 1 1 A 53 53 GLY HA2 H 74 3.370 3.973 -0.603 1
1 380 . 17 1 1 A 53 53 GLY HA3 H 74 3.560 3.975 -0.415 1
1 381 . 17 1 1 A 54 54 ILE H H 75 9.500 8.091 1.409 1
1 382 . 17 1 1 A 54 54 ILE N N 75 124.150 119.083 5.067 1
1 383 . 17 1 1 A 54 54 ILE HA H 75 3.370 3.852 -0.482 1
1 393 . 17 1 1 A 55 55 ALA H H 76 6.620 7.610 -0.990 1
1 394 . 17 1 1 A 55 55 ALA N N 76 113.950 119.282 -5.332 1
1 395 . 17 1 1 A 55 55 ALA HA H 76 4.420 4.736 -0.316 1
1 399 . 17 1 1 A 56 56 LYS H H 77 8.420 8.540 -0.120 1
1 400 . 17 1 1 A 56 56 LYS N N 77 114.790 118.951 -4.161 1
1 401 . 17 1 1 A 56 56 LYS HA H 77 4.320 4.861 -0.541 1
1 407 . 17 1 1 A 57 57 GLY H H 78 8.420 8.748 -0.328 1
1 408 . 17 1 1 A 57 57 GLY N N 78 107.590 109.834 -2.244 1
1 409 . 17 1 1 A 57 57 GLY HA2 H 78 3.640 3.914 -0.274 1
1 410 . 17 1 1 A 57 57 GLY HA3 H 78 3.740 3.917 -0.177 1
1 411 . 17 1 1 A 58 58 ALA H H 79 8.690 8.736 -0.046 1
1 412 . 17 1 1 A 58 58 ALA N N 79 127.150 128.460 -1.310 1
1 413 . 17 1 1 A 58 58 ALA HA H 79 4.040 4.075 -0.035 1
1 417 . 17 1 1 A 59 59 GLU H H 80 8.200 8.235 -0.035 1
1 418 . 17 1 1 A 59 59 GLU N N 80 117.910 118.173 -0.263 1
1 419 . 17 1 1 A 59 59 GLU HA H 80 3.890 4.052 -0.162 1
1 424 . 17 1 1 A 60 60 ALA H H 81 6.820 7.692 -0.872 1
1 425 . 17 1 1 A 60 60 ALA N N 81 120.190 121.968 -1.778 1
1 426 . 17 1 1 A 60 60 ALA HA H 81 3.520 4.095 -0.575 1
1 430 . 17 1 1 A 61 61 GLU H H 82 7.940 8.487 -0.547 1
1 431 . 17 1 1 A 61 61 GLU N N 82 114.910 117.998 -3.088 1
1 432 . 17 1 1 A 61 61 GLU HA H 82 3.730 4.097 -0.367 1
1 437 . 17 1 1 A 62 62 ALA H H 83 7.910 8.341 -0.431 1
1 438 . 17 1 1 A 62 62 ALA N N 83 120.670 122.384 -1.714 1
1 439 . 17 1 1 A 62 62 ALA HA H 83 4.190 4.122 0.068 1
1 443 . 17 1 1 A 63 63 VAL H H 84 8.130 8.504 -0.374 1
1 444 . 17 1 1 A 63 63 VAL N N 84 119.230 118.094 1.136 1
1 445 . 17 1 1 A 63 63 VAL HA H 84 3.610 3.697 -0.087 1
1 453 . 17 1 1 A 64 64 ALA H H 85 8.600 8.802 -0.202 1
1 454 . 17 1 1 A 64 64 ALA N N 85 121.750 121.482 0.268 1
1 455 . 17 1 1 A 64 64 ALA HA H 85 4.080 3.938 0.142 1
1 459 . 17 1 1 A 65 65 ALA H H 86 7.690 8.372 -0.682 1
1 460 . 17 1 1 A 65 65 ALA N N 86 117.310 118.924 -1.614 1
1 461 . 17 1 1 A 65 65 ALA HA H 86 3.860 4.060 -0.200 1
1 465 . 17 1 1 A 66 66 TRP H H 87 7.810 8.392 -0.582 1
1 466 . 17 1 1 A 66 66 TRP N N 87 119.230 120.749 -1.519 1
1 467 . 17 1 1 A 66 66 TRP HA H 87 4.180 4.290 -0.110 1
1 476 . 17 1 1 A 67 67 LEU H H 88 9.070 8.935 0.135 1
1 477 . 17 1 1 A 67 67 LEU N N 88 118.630 120.928 -2.298 1
1 478 . 17 1 1 A 67 67 LEU HA H 88 3.760 3.700 0.060 1
1 488 . 17 1 1 A 68 68 ALA H H 89 8.100 8.708 -0.608 1
1 489 . 17 1 1 A 68 68 ALA N N 89 118.030 120.988 -2.958 1
1 490 . 17 1 1 A 68 68 ALA HA H 89 3.780 3.911 -0.131 1
1 494 . 17 1 1 A 69 69 GLU H H 90 6.710 8.426 -1.716 1
1 495 . 17 1 1 A 69 69 GLU N N 90 111.670 115.660 -3.990 1
1 496 . 17 1 1 A 69 69 GLU HA H 90 4.090 4.086 0.004 1
1 501 . 17 1 1 A 70 70 LYS H H 91 7.460 7.700 -0.240 1
1 502 . 17 1 1 A 70 70 LYS N N 91 122.830 119.317 3.513 1
1 503 . 17 1 1 A 70 70 LYS HA H 91 3.980 4.045 -0.065 1
1 9 . 18 1 1 A 2 2 ASP H H 23 8.490 8.896 -0.406 1
1 10 . 18 1 1 A 2 2 ASP N N 23 126.550 129.198 -2.648 1
1 11 . 18 1 1 A 2 2 ASP HA H 23 4.480 4.632 -0.152 1
1 14 . 18 1 1 A 3 3 ALA H H 24 8.280 8.509 -0.229 1
1 15 . 18 1 1 A 3 3 ALA N N 24 126.910 128.182 -1.272 1
1 16 . 18 1 1 A 3 3 ALA HA H 24 3.420 3.839 -0.419 1
1 20 . 18 1 1 A 4 4 GLU H H 25 7.590 7.575 0.015 1
1 21 . 18 1 1 A 4 4 GLU N N 25 115.030 115.749 -0.719 1
1 22 . 18 1 1 A 4 4 GLU HA H 25 2.600 2.368 0.232 1
1 27 . 18 1 1 A 5 5 ALA H H 26 7.060 7.601 -0.541 1
1 28 . 18 1 1 A 5 5 ALA N N 26 120.430 121.770 -1.340 1
1 29 . 18 1 1 A 5 5 ALA HA H 26 3.910 3.952 -0.042 1
1 33 . 18 1 1 A 6 6 VAL H H 27 7.550 8.188 -0.638 1
1 34 . 18 1 1 A 6 6 VAL N N 27 118.870 118.305 0.565 1
1 35 . 18 1 1 A 6 6 VAL HA H 27 3.570 3.564 0.006 1
1 43 . 18 1 1 A 7 7 VAL H H 28 8.090 7.737 0.353 1
1 44 . 18 1 1 A 7 7 VAL N N 28 120.550 119.360 1.190 1
1 45 . 18 1 1 A 7 7 VAL HA H 28 4.010 3.735 0.275 1
1 53 . 18 1 1 A 8 8 GLN H H 29 7.830 8.367 -0.537 1
1 54 . 18 1 1 A 8 8 GLN N N 29 117.070 119.013 -1.943 1
1 55 . 18 1 1 A 8 8 GLN HA H 29 3.860 4.226 -0.366 1
1 63 . 18 1 1 A 9 9 GLN H H 30 7.640 8.268 -0.628 1
1 64 . 18 1 1 A 9 9 GLN N N 30 115.630 119.202 -3.572 1
1 65 . 18 1 1 A 9 9 GLN HA H 30 4.210 4.613 -0.403 1
1 73 . 18 1 1 A 10 10 LYS H H 31 8.760 8.406 0.354 1
1 74 . 18 1 1 A 10 10 LYS N N 31 113.830 118.564 -4.734 1
1 75 . 18 1 1 A 10 10 LYS HA H 31 4.860 4.526 0.334 1
1 83 . 18 1 1 A 11 11 CYS H H 32 8.770 8.458 0.312 1
1 84 . 18 1 1 A 11 11 CYS N N 32 114.980 116.485 -1.505 1
1 85 . 18 1 1 A 11 11 CYS HA H 32 6.040 4.679 1.361 1
1 88 . 18 1 1 A 12 12 ILE H H 33 6.960 8.273 -1.313 1
1 89 . 18 1 1 A 12 12 ILE N N 33 110.470 120.207 -9.737 1
1 90 . 18 1 1 A 12 12 ILE HA H 33 3.200 3.958 -0.758 1
1 97 . 18 1 1 A 13 13 SER H H 34 8.520 8.046 0.474 1
1 98 . 18 1 1 A 13 13 SER N N 34 119.350 117.501 1.849 1
1 99 . 18 1 1 A 13 13 SER HA H 34 3.870 4.128 -0.258 1
1 102 . 18 1 1 A 14 14 CYS H H 35 6.100 8.096 -1.996 1
1 103 . 18 1 1 A 14 14 CYS N N 35 114.670 117.175 -2.505 1
1 104 . 18 1 1 A 14 14 CYS HA H 35 4.370 4.551 -0.181 1
1 107 . 18 1 1 A 15 15 HIS H H 36 6.120 8.288 -2.168 1
1 108 . 18 1 1 A 15 15 HIS N N 36 112.870 117.139 -4.269 1
1 109 . 18 1 1 A 15 15 HIS HA H 36 2.580 4.481 -1.901 1
1 116 . 18 1 1 A 16 16 GLY H H 37 7.080 8.276 -1.196 1
1 117 . 18 1 1 A 16 16 GLY N N 37 106.750 106.042 0.708 1
1 118 . 18 1 1 A 16 16 GLY HA2 H 37 3.200 3.953 -0.753 1
1 119 . 18 1 1 A 16 16 GLY HA3 H 37 3.920 3.968 -0.048 1
1 120 . 18 1 1 A 17 17 GLY H H 38 8.310 8.647 -0.337 1
1 121 . 18 1 1 A 17 17 GLY N N 38 108.070 112.369 -4.299 1
1 122 . 18 1 1 A 17 17 GLY HA2 H 38 3.440 4.062 -0.622 1
1 123 . 18 1 1 A 17 17 GLY HA3 H 38 3.670 4.067 -0.397 1
1 124 . 18 1 1 A 18 18 ASP H H 39 7.420 7.977 -0.557 1
1 125 . 18 1 1 A 18 18 ASP N N 39 115.870 121.129 -5.259 1
1 126 . 18 1 1 A 18 18 ASP HA H 39 4.460 4.811 -0.351 1
1 129 . 18 1 1 A 19 19 LEU H H 40 7.460 7.991 -0.531 1
1 130 . 18 1 1 A 19 19 LEU N N 40 109.030 116.397 -7.367 1
1 131 . 18 1 1 A 19 19 LEU HA H 40 3.150 4.091 -0.941 1
1 141 . 18 1 1 A 20 20 THR H H 41 7.390 8.195 -0.805 1
1 142 . 18 1 1 A 20 20 THR N N 41 105.670 110.893 -5.223 1
1 143 . 18 1 1 A 20 20 THR HA H 41 3.950 4.300 -0.350 1
1 148 . 18 1 1 A 21 21 GLY H H 42 7.610 8.065 -0.455 1
1 149 . 18 1 1 A 21 21 GLY N N 42 111.310 110.361 0.949 1
1 150 . 18 1 1 A 21 21 GLY HA2 H 42 2.600 4.054 -1.454 1
1 151 . 18 1 1 A 21 21 GLY HA3 H 42 3.980 4.096 -0.116 1
1 152 . 18 1 1 A 22 22 ALA H H 43 7.480 8.289 -0.809 1
1 153 . 18 1 1 A 22 22 ALA N N 43 125.590 124.927 0.663 1
1 154 . 18 1 1 A 22 22 ALA HA H 43 3.980 4.507 -0.527 1
1 158 . 18 1 1 A 23 23 SER H H 44 7.760 8.272 -0.512 1
1 159 . 18 1 1 A 23 23 SER N N 44 118.630 112.262 6.368 1
1 160 . 18 1 1 A 23 23 SER HA H 44 4.080 4.430 -0.350 1
1 163 . 18 1 1 A 24 24 ALA H H 45 7.300 7.564 -0.264 1
1 164 . 18 1 1 A 24 24 ALA N N 45 125.110 121.405 3.705 1
1 165 . 18 1 1 A 24 24 ALA HA H 45 4.170 4.716 -0.546 1
1 169 . 18 1 1 A 25 25 PRO HA H 46 3.910 4.633 -0.723 1
1 176 . 18 1 1 A 26 26 ALA H H 47 7.920 8.405 -0.485 1
1 177 . 18 1 1 A 26 26 ALA N N 47 120.310 124.536 -4.226 1
1 178 . 18 1 1 A 26 26 ALA HA H 47 3.370 4.426 -1.056 1
1 182 . 18 1 1 A 27 27 ILE H H 48 7.770 8.381 -0.611 1
1 183 . 18 1 1 A 27 27 ILE N N 48 112.150 118.761 -6.611 1
1 184 . 18 1 1 A 27 27 ILE HA H 48 4.170 4.442 -0.272 1
1 194 . 18 1 1 A 28 28 ASP H H 49 8.250 8.209 0.041 1
1 195 . 18 1 1 A 28 28 ASP N N 49 119.980 122.925 -2.945 1
1 196 . 18 1 1 A 28 28 ASP HA H 49 3.600 4.105 -0.505 1
1 199 . 18 1 1 A 29 29 LYS H H 50 7.720 8.059 -0.339 1
1 200 . 18 1 1 A 29 29 LYS N N 50 117.430 118.029 -0.599 1
1 201 . 18 1 1 A 29 29 LYS HA H 50 4.220 4.081 0.139 1
1 209 . 18 1 1 A 30 30 ALA H H 51 7.130 8.271 -1.141 1
1 210 . 18 1 1 A 30 30 ALA N N 51 121.030 124.279 -3.249 1
1 211 . 18 1 1 A 30 30 ALA HA H 51 4.240 3.890 0.350 1
1 215 . 18 1 1 A 31 31 GLY H H 52 8.290 8.272 0.018 1
1 216 . 18 1 1 A 31 31 GLY N N 52 103.990 106.273 -2.283 1
1 217 . 18 1 1 A 31 31 GLY HA2 H 52 3.670 3.806 -0.136 1
1 218 . 18 1 1 A 31 31 GLY HA3 H 52 4.370 3.848 0.522 1
1 219 . 18 1 1 A 32 32 ALA H H 53 7.970 8.188 -0.218 1
1 220 . 18 1 1 A 32 32 ALA N N 53 120.670 124.567 -3.897 1
1 221 . 18 1 1 A 32 32 ALA HA H 53 4.160 3.911 0.249 1
1 225 . 18 1 1 A 33 33 ASN H H 54 7.490 7.553 -0.063 1
1 226 . 18 1 1 A 33 33 ASN N N 54 113.350 113.960 -0.610 1
1 227 . 18 1 1 A 33 33 ASN HA H 54 4.590 4.538 0.052 1
1 233 . 18 1 1 A 34 34 TYR H H 55 8.070 7.987 0.083 1
1 234 . 18 1 1 A 34 34 TYR N N 55 118.270 115.344 2.926 1
1 235 . 18 1 1 A 34 34 TYR HA H 55 5.020 5.454 -0.434 1
1 240 . 18 1 1 A 35 35 SER H H 56 9.110 9.108 0.002 1
1 241 . 18 1 1 A 35 35 SER N N 56 114.910 117.519 -2.609 1
1 242 . 18 1 1 A 35 35 SER HA H 56 4.560 4.839 -0.279 1
1 245 . 18 1 1 A 36 36 GLU H H 57 9.020 9.042 -0.022 1
1 246 . 18 1 1 A 36 36 GLU N N 57 121.630 123.909 -2.279 1
1 247 . 18 1 1 A 36 36 GLU HA H 57 3.670 4.044 -0.374 1
1 251 . 18 1 1 A 37 37 GLU H H 58 8.680 8.288 0.392 1
1 252 . 18 1 1 A 37 37 GLU N N 58 116.230 119.047 -2.817 1
1 253 . 18 1 1 A 37 37 GLU HA H 58 3.810 4.089 -0.279 1
1 258 . 18 1 1 A 38 38 GLU H H 59 7.710 8.095 -0.385 1
1 259 . 18 1 1 A 38 38 GLU N N 59 120.070 119.614 0.456 1
1 260 . 18 1 1 A 38 38 GLU HA H 59 3.940 4.019 -0.079 1
1 265 . 18 1 1 A 39 39 ILE H H 60 8.370 7.951 0.419 1
1 266 . 18 1 1 A 39 39 ILE N N 60 119.710 120.952 -1.242 1
1 267 . 18 1 1 A 39 39 ILE HA H 60 3.360 3.687 -0.327 1
1 276 . 18 1 1 A 40 40 LEU H H 61 8.380 8.522 -0.142 1
1 277 . 18 1 1 A 40 40 LEU N N 61 119.710 121.386 -1.676 1
1 278 . 18 1 1 A 40 40 LEU HA H 61 3.690 3.978 -0.288 1
1 288 . 18 1 1 A 41 41 ASP H H 62 7.410 8.600 -1.190 1
1 289 . 18 1 1 A 41 41 ASP N N 62 116.590 117.533 -0.943 1
1 290 . 18 1 1 A 41 41 ASP HA H 62 4.010 4.445 -0.435 1
1 293 . 18 1 1 A 42 42 ILE H H 63 7.240 8.254 -1.014 1
1 294 . 18 1 1 A 42 42 ILE N N 63 120.430 119.287 1.143 1
1 295 . 18 1 1 A 42 42 ILE HA H 63 2.540 3.767 -1.227 1
1 305 . 18 1 1 A 43 43 ILE H H 64 7.550 8.627 -1.077 1
1 306 . 18 1 1 A 43 43 ILE N N 64 116.230 121.114 -4.884 1
1 307 . 18 1 1 A 43 43 ILE HA H 64 2.250 3.570 -1.320 1
1 317 . 18 1 1 A 44 44 LEU H H 65 8.560 8.454 0.106 1
1 318 . 18 1 1 A 44 44 LEU N N 65 115.630 118.638 -3.008 1
1 319 . 18 1 1 A 44 44 LEU HA H 65 3.700 3.969 -0.269 1
1 329 . 18 1 1 A 45 45 ASN H H 66 8.200 8.616 -0.416 1
1 330 . 18 1 1 A 45 45 ASN N N 66 112.510 114.434 -1.924 1
1 331 . 18 1 1 A 45 45 ASN HA H 66 4.460 4.657 -0.197 1
1 337 . 18 1 1 A 46 46 GLY H H 67 7.480 7.935 -0.455 1
1 338 . 18 1 1 A 46 46 GLY N N 67 111.910 104.560 7.350 1
1 339 . 18 1 1 A 46 46 GLY HA2 H 67 2.060 4.100 -2.040 1
1 340 . 18 1 1 A 46 46 GLY HA3 H 67 3.210 4.111 -0.901 1
1 341 . 18 1 1 A 47 47 GLN H H 68 6.470 8.477 -2.007 1
1 342 . 18 1 1 A 47 47 GLN N N 68 114.550 118.288 -3.738 1
1 343 . 18 1 1 A 47 47 GLN HA H 68 3.730 4.928 -1.198 1
1 351 . 18 1 1 A 48 48 GLY H H 69 8.680 8.834 -0.154 1
1 352 . 18 1 1 A 48 48 GLY N N 69 115.150 109.463 5.687 1
1 353 . 18 1 1 A 48 48 GLY HA2 H 69 3.440 3.841 -0.401 1
1 354 . 18 1 1 A 48 48 GLY HA3 H 69 3.740 3.841 -0.101 1
1 355 . 18 1 1 A 49 49 GLY H H 70 9.620 8.474 1.146 1
1 356 . 18 1 1 A 49 49 GLY N N 70 114.790 109.925 4.865 1
1 357 . 18 1 1 A 49 49 GLY HA2 H 70 3.850 4.082 -0.232 1
1 358 . 18 1 1 A 49 49 GLY HA3 H 70 3.980 4.083 -0.103 1
1 359 . 18 1 1 A 50 50 MET H H 71 8.100 8.004 0.096 1
1 360 . 18 1 1 A 50 50 MET N N 71 125.230 120.670 4.560 1
1 361 . 18 1 1 A 50 50 MET HA H 71 3.060 4.730 -1.670 1
1 369 . 18 1 1 A 51 51 PRO HA H 72 3.740 4.410 -0.670 1
1 373 . 18 1 1 A 52 52 GLY H H 73 7.670 8.192 -0.522 1
1 374 . 18 1 1 A 52 52 GLY N N 73 103.400 109.108 -5.708 1
1 375 . 18 1 1 A 52 52 GLY HA2 H 73 2.660 4.004 -1.344 1
1 376 . 18 1 1 A 52 52 GLY HA3 H 73 3.060 4.014 -0.954 1
1 377 . 18 1 1 A 53 53 GLY H H 74 7.530 8.837 -1.307 1
1 378 . 18 1 1 A 53 53 GLY N N 74 106.030 108.368 -2.338 1
1 379 . 18 1 1 A 53 53 GLY HA2 H 74 3.370 4.053 -0.683 1
1 380 . 18 1 1 A 53 53 GLY HA3 H 74 3.560 4.054 -0.494 1
1 381 . 18 1 1 A 54 54 ILE H H 75 9.500 8.080 1.420 1
1 382 . 18 1 1 A 54 54 ILE N N 75 124.150 119.172 4.978 1
1 383 . 18 1 1 A 54 54 ILE HA H 75 3.370 3.883 -0.513 1
1 393 . 18 1 1 A 55 55 ALA H H 76 6.620 7.532 -0.912 1
1 394 . 18 1 1 A 55 55 ALA N N 76 113.950 120.356 -6.406 1
1 395 . 18 1 1 A 55 55 ALA HA H 76 4.420 4.722 -0.302 1
1 399 . 18 1 1 A 56 56 LYS H H 77 8.420 8.588 -0.168 1
1 400 . 18 1 1 A 56 56 LYS N N 77 114.790 120.492 -5.702 1
1 401 . 18 1 1 A 56 56 LYS HA H 77 4.320 4.832 -0.512 1
1 407 . 18 1 1 A 57 57 GLY H H 78 8.420 8.769 -0.349 1
1 408 . 18 1 1 A 57 57 GLY N N 78 107.590 110.089 -2.499 1
1 409 . 18 1 1 A 57 57 GLY HA2 H 78 3.640 3.922 -0.282 1
1 410 . 18 1 1 A 57 57 GLY HA3 H 78 3.740 3.924 -0.184 1
1 411 . 18 1 1 A 58 58 ALA H H 79 8.690 8.727 -0.037 1
1 412 . 18 1 1 A 58 58 ALA N N 79 127.150 128.431 -1.281 1
1 413 . 18 1 1 A 58 58 ALA HA H 79 4.040 4.092 -0.052 1
1 417 . 18 1 1 A 59 59 GLU H H 80 8.200 8.138 0.062 1
1 418 . 18 1 1 A 59 59 GLU N N 80 117.910 117.957 -0.047 1
1 419 . 18 1 1 A 59 59 GLU HA H 80 3.890 4.048 -0.158 1
1 424 . 18 1 1 A 60 60 ALA H H 81 6.820 7.734 -0.914 1
1 425 . 18 1 1 A 60 60 ALA N N 81 120.190 120.797 -0.607 1
1 426 . 18 1 1 A 60 60 ALA HA H 81 3.520 4.092 -0.572 1
1 430 . 18 1 1 A 61 61 GLU H H 82 7.940 8.498 -0.558 1
1 431 . 18 1 1 A 61 61 GLU N N 82 114.910 118.114 -3.204 1
1 432 . 18 1 1 A 61 61 GLU HA H 82 3.730 4.076 -0.346 1
1 437 . 18 1 1 A 62 62 ALA H H 83 7.910 8.305 -0.395 1
1 438 . 18 1 1 A 62 62 ALA N N 83 120.670 122.385 -1.715 1
1 439 . 18 1 1 A 62 62 ALA HA H 83 4.190 4.168 0.022 1
1 443 . 18 1 1 A 63 63 VAL H H 84 8.130 8.392 -0.262 1
1 444 . 18 1 1 A 63 63 VAL N N 84 119.230 118.294 0.936 1
1 445 . 18 1 1 A 63 63 VAL HA H 84 3.610 3.894 -0.284 1
1 453 . 18 1 1 A 64 64 ALA H H 85 8.600 8.838 -0.238 1
1 454 . 18 1 1 A 64 64 ALA N N 85 121.750 121.477 0.273 1
1 455 . 18 1 1 A 64 64 ALA HA H 85 4.080 3.904 0.176 1
1 459 . 18 1 1 A 65 65 ALA H H 86 7.690 8.207 -0.517 1
1 460 . 18 1 1 A 65 65 ALA N N 86 117.310 118.905 -1.595 1
1 461 . 18 1 1 A 65 65 ALA HA H 86 3.860 4.032 -0.172 1
1 465 . 18 1 1 A 66 66 TRP H H 87 7.810 8.382 -0.572 1
1 466 . 18 1 1 A 66 66 TRP N N 87 119.230 120.887 -1.657 1
1 467 . 18 1 1 A 66 66 TRP HA H 87 4.180 4.164 0.016 1
1 476 . 18 1 1 A 67 67 LEU H H 88 9.070 8.614 0.456 1
1 477 . 18 1 1 A 67 67 LEU N N 88 118.630 120.628 -1.998 1
1 478 . 18 1 1 A 67 67 LEU HA H 88 3.760 3.399 0.361 1
1 488 . 18 1 1 A 68 68 ALA H H 89 8.100 8.347 -0.247 1
1 489 . 18 1 1 A 68 68 ALA N N 89 118.030 121.338 -3.308 1
1 490 . 18 1 1 A 68 68 ALA HA H 89 3.780 3.929 -0.149 1
1 494 . 18 1 1 A 69 69 GLU H H 90 6.710 7.612 -0.902 1
1 495 . 18 1 1 A 69 69 GLU N N 90 111.670 118.031 -6.361 1
1 496 . 18 1 1 A 69 69 GLU HA H 90 4.090 4.065 0.025 1
1 501 . 18 1 1 A 70 70 LYS H H 91 7.460 7.784 -0.324 1
1 502 . 18 1 1 A 70 70 LYS N N 91 122.830 119.126 3.704 1
1 503 . 18 1 1 A 70 70 LYS HA H 91 3.980 3.970 0.010 1
1 9 . 19 1 1 A 2 2 ASP H H 23 8.490 8.834 -0.344 1
1 10 . 19 1 1 A 2 2 ASP N N 23 126.550 128.806 -2.256 1
1 11 . 19 1 1 A 2 2 ASP HA H 23 4.480 4.588 -0.108 1
1 14 . 19 1 1 A 3 3 ALA H H 24 8.280 8.696 -0.416 1
1 15 . 19 1 1 A 3 3 ALA N N 24 126.910 128.233 -1.323 1
1 16 . 19 1 1 A 3 3 ALA HA H 24 3.420 3.798 -0.378 1
1 20 . 19 1 1 A 4 4 GLU H H 25 7.590 7.663 -0.073 1
1 21 . 19 1 1 A 4 4 GLU N N 25 115.030 115.927 -0.897 1
1 22 . 19 1 1 A 4 4 GLU HA H 25 2.600 2.864 -0.264 1
1 27 . 19 1 1 A 5 5 ALA H H 26 7.060 7.521 -0.461 1
1 28 . 19 1 1 A 5 5 ALA N N 26 120.430 122.003 -1.573 1
1 29 . 19 1 1 A 5 5 ALA HA H 26 3.910 3.929 -0.019 1
1 33 . 19 1 1 A 6 6 VAL H H 27 7.550 8.021 -0.471 1
1 34 . 19 1 1 A 6 6 VAL N N 27 118.870 118.217 0.653 1
1 35 . 19 1 1 A 6 6 VAL HA H 27 3.570 3.535 0.035 1
1 43 . 19 1 1 A 7 7 VAL H H 28 8.090 7.989 0.101 1
1 44 . 19 1 1 A 7 7 VAL N N 28 120.550 119.401 1.149 1
1 45 . 19 1 1 A 7 7 VAL HA H 28 4.010 3.608 0.402 1
1 53 . 19 1 1 A 8 8 GLN H H 29 7.830 8.346 -0.516 1
1 54 . 19 1 1 A 8 8 GLN N N 29 117.070 118.674 -1.604 1
1 55 . 19 1 1 A 8 8 GLN HA H 29 3.860 4.219 -0.359 1
1 63 . 19 1 1 A 9 9 GLN H H 30 7.640 8.276 -0.636 1
1 64 . 19 1 1 A 9 9 GLN N N 30 115.630 119.034 -3.404 1
1 65 . 19 1 1 A 9 9 GLN HA H 30 4.210 4.613 -0.403 1
1 73 . 19 1 1 A 10 10 LYS H H 31 8.760 8.359 0.401 1
1 74 . 19 1 1 A 10 10 LYS N N 31 113.830 117.535 -3.705 1
1 75 . 19 1 1 A 10 10 LYS HA H 31 4.860 4.463 0.397 1
1 83 . 19 1 1 A 11 11 CYS H H 32 8.770 8.482 0.288 1
1 84 . 19 1 1 A 11 11 CYS N N 32 114.980 115.507 -0.527 1
1 85 . 19 1 1 A 11 11 CYS HA H 32 6.040 4.666 1.374 1
1 88 . 19 1 1 A 12 12 ILE H H 33 6.960 8.250 -1.290 1
1 89 . 19 1 1 A 12 12 ILE N N 33 110.470 120.226 -9.756 1
1 90 . 19 1 1 A 12 12 ILE HA H 33 3.200 3.956 -0.756 1
1 97 . 19 1 1 A 13 13 SER H H 34 8.520 8.038 0.482 1
1 98 . 19 1 1 A 13 13 SER N N 34 119.350 117.609 1.741 1
1 99 . 19 1 1 A 13 13 SER HA H 34 3.870 4.097 -0.227 1
1 102 . 19 1 1 A 14 14 CYS H H 35 6.100 8.058 -1.958 1
1 103 . 19 1 1 A 14 14 CYS N N 35 114.670 117.136 -2.466 1
1 104 . 19 1 1 A 14 14 CYS HA H 35 4.370 4.547 -0.177 1
1 107 . 19 1 1 A 15 15 HIS H H 36 6.120 8.225 -2.105 1
1 108 . 19 1 1 A 15 15 HIS N N 36 112.870 116.459 -3.589 1
1 109 . 19 1 1 A 15 15 HIS HA H 36 2.580 4.577 -1.997 1
1 116 . 19 1 1 A 16 16 GLY H H 37 7.080 8.303 -1.223 1
1 117 . 19 1 1 A 16 16 GLY N N 37 106.750 108.059 -1.309 1
1 118 . 19 1 1 A 16 16 GLY HA2 H 37 3.200 4.007 -0.807 1
1 119 . 19 1 1 A 16 16 GLY HA3 H 37 3.920 4.014 -0.094 1
1 120 . 19 1 1 A 17 17 GLY H H 38 8.310 8.800 -0.490 1
1 121 . 19 1 1 A 17 17 GLY N N 38 108.070 109.835 -1.765 1
1 122 . 19 1 1 A 17 17 GLY HA2 H 38 3.440 3.897 -0.457 1
1 123 . 19 1 1 A 17 17 GLY HA3 H 38 3.670 3.901 -0.231 1
1 124 . 19 1 1 A 18 18 ASP H H 39 7.420 7.607 -0.187 1
1 125 . 19 1 1 A 18 18 ASP N N 39 115.870 121.818 -5.948 1
1 126 . 19 1 1 A 18 18 ASP HA H 39 4.460 4.844 -0.384 1
1 129 . 19 1 1 A 19 19 LEU H H 40 7.460 8.219 -0.759 1
1 130 . 19 1 1 A 19 19 LEU N N 40 109.030 118.110 -9.080 1
1 131 . 19 1 1 A 19 19 LEU HA H 40 3.150 4.143 -0.993 1
1 141 . 19 1 1 A 20 20 THR H H 41 7.390 8.211 -0.821 1
1 142 . 19 1 1 A 20 20 THR N N 41 105.670 111.455 -5.785 1
1 143 . 19 1 1 A 20 20 THR HA H 41 3.950 4.318 -0.368 1
1 148 . 19 1 1 A 21 21 GLY H H 42 7.610 8.343 -0.733 1
1 149 . 19 1 1 A 21 21 GLY N N 42 111.310 110.526 0.784 1
1 150 . 19 1 1 A 21 21 GLY HA2 H 42 2.600 4.116 -1.516 1
1 151 . 19 1 1 A 21 21 GLY HA3 H 42 3.980 4.154 -0.174 1
1 152 . 19 1 1 A 22 22 ALA H H 43 7.480 7.965 -0.485 1
1 153 . 19 1 1 A 22 22 ALA N N 43 125.590 125.838 -0.248 1
1 154 . 19 1 1 A 22 22 ALA HA H 43 3.980 4.505 -0.525 1
1 158 . 19 1 1 A 23 23 SER H H 44 7.760 8.315 -0.555 1
1 159 . 19 1 1 A 23 23 SER N N 44 118.630 112.391 6.239 1
1 160 . 19 1 1 A 23 23 SER HA H 44 4.080 4.573 -0.493 1
1 163 . 19 1 1 A 24 24 ALA H H 45 7.300 7.571 -0.271 1
1 164 . 19 1 1 A 24 24 ALA N N 45 125.110 121.630 3.480 1
1 165 . 19 1 1 A 24 24 ALA HA H 45 4.170 4.686 -0.516 1
1 169 . 19 1 1 A 25 25 PRO HA H 46 3.910 4.630 -0.720 1
1 176 . 19 1 1 A 26 26 ALA H H 47 7.920 8.388 -0.468 1
1 177 . 19 1 1 A 26 26 ALA N N 47 120.310 124.414 -4.104 1
1 178 . 19 1 1 A 26 26 ALA HA H 47 3.370 4.548 -1.178 1
1 182 . 19 1 1 A 27 27 ILE H H 48 7.770 8.637 -0.867 1
1 183 . 19 1 1 A 27 27 ILE N N 48 112.150 118.842 -6.692 1
1 184 . 19 1 1 A 27 27 ILE HA H 48 4.170 4.484 -0.314 1
1 194 . 19 1 1 A 28 28 ASP H H 49 8.250 8.537 -0.287 1
1 195 . 19 1 1 A 28 28 ASP N N 49 119.980 123.937 -3.957 1
1 196 . 19 1 1 A 28 28 ASP HA H 49 3.600 4.235 -0.635 1
1 199 . 19 1 1 A 29 29 LYS H H 50 7.720 7.887 -0.167 1
1 200 . 19 1 1 A 29 29 LYS N N 50 117.430 118.054 -0.624 1
1 201 . 19 1 1 A 29 29 LYS HA H 50 4.220 4.241 -0.021 1
1 209 . 19 1 1 A 30 30 ALA H H 51 7.130 8.244 -1.114 1
1 210 . 19 1 1 A 30 30 ALA N N 51 121.030 122.732 -1.702 1
1 211 . 19 1 1 A 30 30 ALA HA H 51 4.240 3.882 0.358 1
1 215 . 19 1 1 A 31 31 GLY H H 52 8.290 8.190 0.100 1
1 216 . 19 1 1 A 31 31 GLY N N 52 103.990 105.263 -1.273 1
1 217 . 19 1 1 A 31 31 GLY HA2 H 52 3.670 3.748 -0.078 1
1 218 . 19 1 1 A 31 31 GLY HA3 H 52 4.370 3.798 0.572 1
1 219 . 19 1 1 A 32 32 ALA H H 53 7.970 8.013 -0.043 1
1 220 . 19 1 1 A 32 32 ALA N N 53 120.670 124.694 -4.024 1
1 221 . 19 1 1 A 32 32 ALA HA H 53 4.160 3.935 0.225 1
1 225 . 19 1 1 A 33 33 ASN H H 54 7.490 7.972 -0.482 1
1 226 . 19 1 1 A 33 33 ASN N N 54 113.350 114.400 -1.050 1
1 227 . 19 1 1 A 33 33 ASN HA H 54 4.590 4.524 0.066 1
1 233 . 19 1 1 A 34 34 TYR H H 55 8.070 7.912 0.158 1
1 234 . 19 1 1 A 34 34 TYR N N 55 118.270 115.386 2.884 1
1 235 . 19 1 1 A 34 34 TYR HA H 55 5.020 5.066 -0.046 1
1 240 . 19 1 1 A 35 35 SER H H 56 9.110 8.854 0.256 1
1 241 . 19 1 1 A 35 35 SER N N 56 114.910 117.643 -2.733 1
1 242 . 19 1 1 A 35 35 SER HA H 56 4.560 4.760 -0.200 1
1 245 . 19 1 1 A 36 36 GLU H H 57 9.020 9.156 -0.136 1
1 246 . 19 1 1 A 36 36 GLU N N 57 121.630 123.228 -1.598 1
1 247 . 19 1 1 A 36 36 GLU HA H 57 3.670 4.048 -0.378 1
1 251 . 19 1 1 A 37 37 GLU H H 58 8.680 8.319 0.361 1
1 252 . 19 1 1 A 37 37 GLU N N 58 116.230 119.279 -3.049 1
1 253 . 19 1 1 A 37 37 GLU HA H 58 3.810 4.077 -0.267 1
1 258 . 19 1 1 A 38 38 GLU H H 59 7.710 8.165 -0.455 1
1 259 . 19 1 1 A 38 38 GLU N N 59 120.070 119.749 0.321 1
1 260 . 19 1 1 A 38 38 GLU HA H 59 3.940 3.925 0.015 1
1 265 . 19 1 1 A 39 39 ILE H H 60 8.370 8.037 0.333 1
1 266 . 19 1 1 A 39 39 ILE N N 60 119.710 120.755 -1.045 1
1 267 . 19 1 1 A 39 39 ILE HA H 60 3.360 3.670 -0.310 1
1 276 . 19 1 1 A 40 40 LEU H H 61 8.380 8.486 -0.106 1
1 277 . 19 1 1 A 40 40 LEU N N 61 119.710 121.374 -1.664 1
1 278 . 19 1 1 A 40 40 LEU HA H 61 3.690 3.965 -0.275 1
1 288 . 19 1 1 A 41 41 ASP H H 62 7.410 8.449 -1.039 1
1 289 . 19 1 1 A 41 41 ASP N N 62 116.590 118.369 -1.779 1
1 290 . 19 1 1 A 41 41 ASP HA H 62 4.010 4.285 -0.275 1
1 293 . 19 1 1 A 42 42 ILE H H 63 7.240 8.134 -0.894 1
1 294 . 19 1 1 A 42 42 ILE N N 63 120.430 118.850 1.580 1
1 295 . 19 1 1 A 42 42 ILE HA H 63 2.540 3.654 -1.114 1
1 305 . 19 1 1 A 43 43 ILE H H 64 7.550 8.634 -1.084 1
1 306 . 19 1 1 A 43 43 ILE N N 64 116.230 121.590 -5.360 1
1 307 . 19 1 1 A 43 43 ILE HA H 64 2.250 3.572 -1.322 1
1 317 . 19 1 1 A 44 44 LEU H H 65 8.560 8.420 0.140 1
1 318 . 19 1 1 A 44 44 LEU N N 65 115.630 118.467 -2.837 1
1 319 . 19 1 1 A 44 44 LEU HA H 65 3.700 4.070 -0.370 1
1 329 . 19 1 1 A 45 45 ASN H H 66 8.200 8.657 -0.457 1
1 330 . 19 1 1 A 45 45 ASN N N 66 112.510 115.120 -2.610 1
1 331 . 19 1 1 A 45 45 ASN HA H 66 4.460 4.784 -0.324 1
1 337 . 19 1 1 A 46 46 GLY H H 67 7.480 7.825 -0.345 1
1 338 . 19 1 1 A 46 46 GLY N N 67 111.910 103.841 8.069 1
1 339 . 19 1 1 A 46 46 GLY HA2 H 67 2.060 4.103 -2.043 1
1 340 . 19 1 1 A 46 46 GLY HA3 H 67 3.210 4.114 -0.904 1
1 341 . 19 1 1 A 47 47 GLN H H 68 6.470 8.006 -1.536 1
1 342 . 19 1 1 A 47 47 GLN N N 68 114.550 119.177 -4.627 1
1 343 . 19 1 1 A 47 47 GLN HA H 68 3.730 4.712 -0.982 1
1 351 . 19 1 1 A 48 48 GLY H H 69 8.680 8.959 -0.279 1
1 352 . 19 1 1 A 48 48 GLY N N 69 115.150 116.367 -1.217 1
1 353 . 19 1 1 A 48 48 GLY HA2 H 69 3.440 3.861 -0.421 1
1 354 . 19 1 1 A 48 48 GLY HA3 H 69 3.740 3.865 -0.125 1
1 355 . 19 1 1 A 49 49 GLY H H 70 9.620 9.010 0.610 1
1 356 . 19 1 1 A 49 49 GLY N N 70 114.790 115.196 -0.406 1
1 357 . 19 1 1 A 49 49 GLY HA2 H 70 3.850 3.933 -0.083 1
1 358 . 19 1 1 A 49 49 GLY HA3 H 70 3.980 3.937 0.043 1
1 359 . 19 1 1 A 50 50 MET H H 71 8.100 7.922 0.178 1
1 360 . 19 1 1 A 50 50 MET N N 71 125.230 121.343 3.887 1
1 361 . 19 1 1 A 50 50 MET HA H 71 3.060 4.667 -1.607 1
1 369 . 19 1 1 A 51 51 PRO HA H 72 3.740 4.352 -0.612 1
1 373 . 19 1 1 A 52 52 GLY H H 73 7.670 8.282 -0.612 1
1 374 . 19 1 1 A 52 52 GLY N N 73 103.400 109.095 -5.695 1
1 375 . 19 1 1 A 52 52 GLY HA2 H 73 2.660 4.034 -1.374 1
1 376 . 19 1 1 A 52 52 GLY HA3 H 73 3.060 4.043 -0.983 1
1 377 . 19 1 1 A 53 53 GLY H H 74 7.530 8.986 -1.456 1
1 378 . 19 1 1 A 53 53 GLY N N 74 106.030 109.372 -3.342 1
1 379 . 19 1 1 A 53 53 GLY HA2 H 74 3.370 3.940 -0.570 1
1 380 . 19 1 1 A 53 53 GLY HA3 H 74 3.560 3.942 -0.382 1
1 381 . 19 1 1 A 54 54 ILE H H 75 9.500 8.119 1.381 1
1 382 . 19 1 1 A 54 54 ILE N N 75 124.150 119.067 5.083 1
1 383 . 19 1 1 A 54 54 ILE HA H 75 3.370 3.906 -0.536 1
1 393 . 19 1 1 A 55 55 ALA H H 76 6.620 7.613 -0.993 1
1 394 . 19 1 1 A 55 55 ALA N N 76 113.950 120.393 -6.443 1
1 395 . 19 1 1 A 55 55 ALA HA H 76 4.420 5.171 -0.751 1
1 399 . 19 1 1 A 56 56 LYS H H 77 8.420 8.872 -0.452 1
1 400 . 19 1 1 A 56 56 LYS N N 77 114.790 119.956 -5.166 1
1 401 . 19 1 1 A 56 56 LYS HA H 77 4.320 4.848 -0.528 1
1 407 . 19 1 1 A 57 57 GLY H H 78 8.420 8.758 -0.338 1
1 408 . 19 1 1 A 57 57 GLY N N 78 107.590 110.070 -2.480 1
1 409 . 19 1 1 A 57 57 GLY HA2 H 78 3.640 3.919 -0.279 1
1 410 . 19 1 1 A 57 57 GLY HA3 H 78 3.740 3.921 -0.181 1
1 411 . 19 1 1 A 58 58 ALA H H 79 8.690 8.715 -0.025 1
1 412 . 19 1 1 A 58 58 ALA N N 79 127.150 128.381 -1.231 1
1 413 . 19 1 1 A 58 58 ALA HA H 79 4.040 4.048 -0.008 1
1 417 . 19 1 1 A 59 59 GLU H H 80 8.200 8.072 0.128 1
1 418 . 19 1 1 A 59 59 GLU N N 80 117.910 118.186 -0.276 1
1 419 . 19 1 1 A 59 59 GLU HA H 80 3.890 4.006 -0.116 1
1 424 . 19 1 1 A 60 60 ALA H H 81 6.820 7.863 -1.043 1
1 425 . 19 1 1 A 60 60 ALA N N 81 120.190 120.927 -0.737 1
1 426 . 19 1 1 A 60 60 ALA HA H 81 3.520 4.098 -0.578 1
1 430 . 19 1 1 A 61 61 GLU H H 82 7.940 8.357 -0.417 1
1 431 . 19 1 1 A 61 61 GLU N N 82 114.910 118.543 -3.633 1
1 432 . 19 1 1 A 61 61 GLU HA H 82 3.730 4.049 -0.319 1
1 437 . 19 1 1 A 62 62 ALA H H 83 7.910 8.258 -0.348 1
1 438 . 19 1 1 A 62 62 ALA N N 83 120.670 122.286 -1.616 1
1 439 . 19 1 1 A 62 62 ALA HA H 83 4.190 4.133 0.057 1
1 443 . 19 1 1 A 63 63 VAL H H 84 8.130 8.347 -0.217 1
1 444 . 19 1 1 A 63 63 VAL N N 84 119.230 118.230 1.000 1
1 445 . 19 1 1 A 63 63 VAL HA H 84 3.610 3.823 -0.213 1
1 453 . 19 1 1 A 64 64 ALA H H 85 8.600 8.826 -0.226 1
1 454 . 19 1 1 A 64 64 ALA N N 85 121.750 121.593 0.157 1
1 455 . 19 1 1 A 64 64 ALA HA H 85 4.080 3.960 0.120 1
1 459 . 19 1 1 A 65 65 ALA H H 86 7.690 8.194 -0.504 1
1 460 . 19 1 1 A 65 65 ALA N N 86 117.310 119.113 -1.803 1
1 461 . 19 1 1 A 65 65 ALA HA H 86 3.860 4.041 -0.181 1
1 465 . 19 1 1 A 66 66 TRP H H 87 7.810 8.458 -0.648 1
1 466 . 19 1 1 A 66 66 TRP N N 87 119.230 121.083 -1.853 1
1 467 . 19 1 1 A 66 66 TRP HA H 87 4.180 4.157 0.023 1
1 476 . 19 1 1 A 67 67 LEU H H 88 9.070 8.458 0.612 1
1 477 . 19 1 1 A 67 67 LEU N N 88 118.630 120.717 -2.087 1
1 478 . 19 1 1 A 67 67 LEU HA H 88 3.760 3.302 0.458 1
1 488 . 19 1 1 A 68 68 ALA H H 89 8.100 8.447 -0.347 1
1 489 . 19 1 1 A 68 68 ALA N N 89 118.030 120.923 -2.893 1
1 490 . 19 1 1 A 68 68 ALA HA H 89 3.780 3.893 -0.113 1
1 494 . 19 1 1 A 69 69 GLU H H 90 6.710 7.893 -1.183 1
1 495 . 19 1 1 A 69 69 GLU N N 90 111.670 118.686 -7.016 1
1 496 . 19 1 1 A 69 69 GLU HA H 90 4.090 4.019 0.071 1
1 501 . 19 1 1 A 70 70 LYS H H 91 7.460 7.331 0.129 1
1 502 . 19 1 1 A 70 70 LYS N N 91 122.830 119.100 3.730 1
1 503 . 19 1 1 A 70 70 LYS HA H 91 3.980 4.012 -0.032 1
1 9 . 20 1 1 A 2 2 ASP H H 23 8.490 8.798 -0.308 1
1 10 . 20 1 1 A 2 2 ASP N N 23 126.550 128.834 -2.284 1
1 11 . 20 1 1 A 2 2 ASP HA H 23 4.480 4.583 -0.103 1
1 14 . 20 1 1 A 3 3 ALA H H 24 8.280 8.843 -0.563 1
1 15 . 20 1 1 A 3 3 ALA N N 24 126.910 127.942 -1.032 1
1 16 . 20 1 1 A 3 3 ALA HA H 24 3.420 3.863 -0.443 1
1 20 . 20 1 1 A 4 4 GLU H H 25 7.590 7.723 -0.133 1
1 21 . 20 1 1 A 4 4 GLU N N 25 115.030 115.881 -0.851 1
1 22 . 20 1 1 A 4 4 GLU HA H 25 2.600 2.601 -0.001 1
1 27 . 20 1 1 A 5 5 ALA H H 26 7.060 7.694 -0.634 1
1 28 . 20 1 1 A 5 5 ALA N N 26 120.430 122.099 -1.669 1
1 29 . 20 1 1 A 5 5 ALA HA H 26 3.910 3.898 0.012 1
1 33 . 20 1 1 A 6 6 VAL H H 27 7.550 8.035 -0.485 1
1 34 . 20 1 1 A 6 6 VAL N N 27 118.870 118.647 0.223 1
1 35 . 20 1 1 A 6 6 VAL HA H 27 3.570 3.537 0.033 1
1 43 . 20 1 1 A 7 7 VAL H H 28 8.090 7.760 0.330 1
1 44 . 20 1 1 A 7 7 VAL N N 28 120.550 119.200 1.350 1
1 45 . 20 1 1 A 7 7 VAL HA H 28 4.010 3.675 0.335 1
1 53 . 20 1 1 A 8 8 GLN H H 29 7.830 8.234 -0.404 1
1 54 . 20 1 1 A 8 8 GLN N N 29 117.070 117.634 -0.564 1
1 55 . 20 1 1 A 8 8 GLN HA H 29 3.860 4.220 -0.360 1
1 63 . 20 1 1 A 9 9 GLN H H 30 7.640 8.287 -0.647 1
1 64 . 20 1 1 A 9 9 GLN N N 30 115.630 119.569 -3.939 1
1 65 . 20 1 1 A 9 9 GLN HA H 30 4.210 4.713 -0.503 1
1 73 . 20 1 1 A 10 10 LYS H H 31 8.760 8.464 0.296 1
1 74 . 20 1 1 A 10 10 LYS N N 31 113.830 117.046 -3.216 1
1 75 . 20 1 1 A 10 10 LYS HA H 31 4.860 4.492 0.368 1
1 83 . 20 1 1 A 11 11 CYS H H 32 8.770 8.290 0.480 1
1 84 . 20 1 1 A 11 11 CYS N N 32 114.980 115.881 -0.901 1
1 85 . 20 1 1 A 11 11 CYS HA H 32 6.040 4.689 1.351 1
1 88 . 20 1 1 A 12 12 ILE H H 33 6.960 8.188 -1.228 1
1 89 . 20 1 1 A 12 12 ILE N N 33 110.470 120.286 -9.816 1
1 90 . 20 1 1 A 12 12 ILE HA H 33 3.200 3.958 -0.758 1
1 97 . 20 1 1 A 13 13 SER H H 34 8.520 8.025 0.495 1
1 98 . 20 1 1 A 13 13 SER N N 34 119.350 117.624 1.726 1
1 99 . 20 1 1 A 13 13 SER HA H 34 3.870 4.122 -0.252 1
1 102 . 20 1 1 A 14 14 CYS H H 35 6.100 7.979 -1.879 1
1 103 . 20 1 1 A 14 14 CYS N N 35 114.670 116.908 -2.238 1
1 104 . 20 1 1 A 14 14 CYS HA H 35 4.370 4.531 -0.161 1
1 107 . 20 1 1 A 15 15 HIS H H 36 6.120 8.125 -2.005 1
1 108 . 20 1 1 A 15 15 HIS N N 36 112.870 116.640 -3.770 1
1 109 . 20 1 1 A 15 15 HIS HA H 36 2.580 4.578 -1.998 1
1 116 . 20 1 1 A 16 16 GLY H H 37 7.080 8.190 -1.110 1
1 117 . 20 1 1 A 16 16 GLY N N 37 106.750 107.812 -1.062 1
1 118 . 20 1 1 A 16 16 GLY HA2 H 37 3.200 4.004 -0.804 1
1 119 . 20 1 1 A 16 16 GLY HA3 H 37 3.920 4.013 -0.093 1
1 120 . 20 1 1 A 17 17 GLY H H 38 8.310 8.866 -0.556 1
1 121 . 20 1 1 A 17 17 GLY N N 38 108.070 110.409 -2.339 1
1 122 . 20 1 1 A 17 17 GLY HA2 H 38 3.440 3.885 -0.445 1
1 123 . 20 1 1 A 17 17 GLY HA3 H 38 3.670 3.891 -0.221 1
1 124 . 20 1 1 A 18 18 ASP H H 39 7.420 7.797 -0.377 1
1 125 . 20 1 1 A 18 18 ASP N N 39 115.870 121.105 -5.235 1
1 126 . 20 1 1 A 18 18 ASP HA H 39 4.460 4.774 -0.314 1
1 129 . 20 1 1 A 19 19 LEU H H 40 7.460 8.214 -0.754 1
1 130 . 20 1 1 A 19 19 LEU N N 40 109.030 116.498 -7.468 1
1 131 . 20 1 1 A 19 19 LEU HA H 40 3.150 4.280 -1.130 1
1 141 . 20 1 1 A 20 20 THR H H 41 7.390 8.172 -0.782 1
1 142 . 20 1 1 A 20 20 THR N N 41 105.670 110.638 -4.968 1
1 143 . 20 1 1 A 20 20 THR HA H 41 3.950 4.333 -0.383 1
1 148 . 20 1 1 A 21 21 GLY H H 42 7.610 8.313 -0.703 1
1 149 . 20 1 1 A 21 21 GLY N N 42 111.310 110.249 1.061 1
1 150 . 20 1 1 A 21 21 GLY HA2 H 42 2.600 4.143 -1.543 1
1 151 . 20 1 1 A 21 21 GLY HA3 H 42 3.980 4.173 -0.193 1
1 152 . 20 1 1 A 22 22 ALA H H 43 7.480 8.151 -0.671 1
1 153 . 20 1 1 A 22 22 ALA N N 43 125.590 124.843 0.747 1
1 154 . 20 1 1 A 22 22 ALA HA H 43 3.980 4.521 -0.541 1
1 158 . 20 1 1 A 23 23 SER H H 44 7.760 8.342 -0.582 1
1 159 . 20 1 1 A 23 23 SER N N 44 118.630 111.899 6.731 1
1 160 . 20 1 1 A 23 23 SER HA H 44 4.080 4.585 -0.505 1
1 163 . 20 1 1 A 24 24 ALA H H 45 7.300 7.612 -0.312 1
1 164 . 20 1 1 A 24 24 ALA N N 45 125.110 121.695 3.415 1
1 165 . 20 1 1 A 24 24 ALA HA H 45 4.170 4.727 -0.557 1
1 169 . 20 1 1 A 25 25 PRO HA H 46 3.910 4.633 -0.723 1
1 176 . 20 1 1 A 26 26 ALA H H 47 7.920 8.370 -0.450 1
1 177 . 20 1 1 A 26 26 ALA N N 47 120.310 124.781 -4.471 1
1 178 . 20 1 1 A 26 26 ALA HA H 47 3.370 4.561 -1.191 1
1 182 . 20 1 1 A 27 27 ILE H H 48 7.770 8.708 -0.938 1
1 183 . 20 1 1 A 27 27 ILE N N 48 112.150 118.901 -6.751 1
1 184 . 20 1 1 A 27 27 ILE HA H 48 4.170 4.599 -0.429 1
1 194 . 20 1 1 A 28 28 ASP H H 49 8.250 8.479 -0.229 1
1 195 . 20 1 1 A 28 28 ASP N N 49 119.980 123.694 -3.714 1
1 196 . 20 1 1 A 28 28 ASP HA H 49 3.600 4.301 -0.701 1
1 199 . 20 1 1 A 29 29 LYS H H 50 7.720 7.956 -0.236 1
1 200 . 20 1 1 A 29 29 LYS N N 50 117.430 118.636 -1.206 1
1 201 . 20 1 1 A 29 29 LYS HA H 50 4.220 4.264 -0.044 1
1 209 . 20 1 1 A 30 30 ALA H H 51 7.130 8.226 -1.096 1
1 210 . 20 1 1 A 30 30 ALA N N 51 121.030 123.001 -1.971 1
1 211 . 20 1 1 A 30 30 ALA HA H 51 4.240 4.078 0.162 1
1 215 . 20 1 1 A 31 31 GLY H H 52 8.290 8.297 -0.007 1
1 216 . 20 1 1 A 31 31 GLY N N 52 103.990 107.336 -3.346 1
1 217 . 20 1 1 A 31 31 GLY HA2 H 52 3.670 3.743 -0.073 1
1 218 . 20 1 1 A 31 31 GLY HA3 H 52 4.370 3.796 0.574 1
1 219 . 20 1 1 A 32 32 ALA H H 53 7.970 8.073 -0.103 1
1 220 . 20 1 1 A 32 32 ALA N N 53 120.670 124.774 -4.104 1
1 221 . 20 1 1 A 32 32 ALA HA H 53 4.160 3.917 0.243 1
1 225 . 20 1 1 A 33 33 ASN H H 54 7.490 7.882 -0.392 1
1 226 . 20 1 1 A 33 33 ASN N N 54 113.350 113.824 -0.474 1
1 227 . 20 1 1 A 33 33 ASN HA H 54 4.590 4.471 0.119 1
1 233 . 20 1 1 A 34 34 TYR H H 55 8.070 7.955 0.115 1
1 234 . 20 1 1 A 34 34 TYR N N 55 118.270 116.156 2.114 1
1 235 . 20 1 1 A 34 34 TYR HA H 55 5.020 5.437 -0.417 1
1 240 . 20 1 1 A 35 35 SER H H 56 9.110 8.558 0.552 1
1 241 . 20 1 1 A 35 35 SER N N 56 114.910 117.138 -2.228 1
1 242 . 20 1 1 A 35 35 SER HA H 56 4.560 4.830 -0.270 1
1 245 . 20 1 1 A 36 36 GLU H H 57 9.020 9.076 -0.056 1
1 246 . 20 1 1 A 36 36 GLU N N 57 121.630 120.380 1.250 1
1 247 . 20 1 1 A 36 36 GLU HA H 57 3.670 4.054 -0.384 1
1 251 . 20 1 1 A 37 37 GLU H H 58 8.680 8.368 0.312 1
1 252 . 20 1 1 A 37 37 GLU N N 58 116.230 119.390 -3.160 1
1 253 . 20 1 1 A 37 37 GLU HA H 58 3.810 4.112 -0.302 1
1 258 . 20 1 1 A 38 38 GLU H H 59 7.710 8.340 -0.630 1
1 259 . 20 1 1 A 38 38 GLU N N 59 120.070 119.618 0.452 1
1 260 . 20 1 1 A 38 38 GLU HA H 59 3.940 4.035 -0.095 1
1 265 . 20 1 1 A 39 39 ILE H H 60 8.370 8.206 0.164 1
1 266 . 20 1 1 A 39 39 ILE N N 60 119.710 120.912 -1.202 1
1 267 . 20 1 1 A 39 39 ILE HA H 60 3.360 3.605 -0.245 1
1 276 . 20 1 1 A 40 40 LEU H H 61 8.380 8.547 -0.167 1
1 277 . 20 1 1 A 40 40 LEU N N 61 119.710 121.334 -1.624 1
1 278 . 20 1 1 A 40 40 LEU HA H 61 3.690 3.975 -0.285 1
1 288 . 20 1 1 A 41 41 ASP H H 62 7.410 8.388 -0.978 1
1 289 . 20 1 1 A 41 41 ASP N N 62 116.590 118.415 -1.825 1
1 290 . 20 1 1 A 41 41 ASP HA H 62 4.010 4.254 -0.244 1
1 293 . 20 1 1 A 42 42 ILE H H 63 7.240 8.285 -1.045 1
1 294 . 20 1 1 A 42 42 ILE N N 63 120.430 118.569 1.861 1
1 295 . 20 1 1 A 42 42 ILE HA H 63 2.540 3.637 -1.097 1
1 305 . 20 1 1 A 43 43 ILE H H 64 7.550 8.517 -0.967 1
1 306 . 20 1 1 A 43 43 ILE N N 64 116.230 121.141 -4.911 1
1 307 . 20 1 1 A 43 43 ILE HA H 64 2.250 3.569 -1.319 1
1 317 . 20 1 1 A 44 44 LEU H H 65 8.560 8.525 0.035 1
1 318 . 20 1 1 A 44 44 LEU N N 65 115.630 118.504 -2.874 1
1 319 . 20 1 1 A 44 44 LEU HA H 65 3.700 4.067 -0.367 1
1 329 . 20 1 1 A 45 45 ASN H H 66 8.200 8.655 -0.455 1
1 330 . 20 1 1 A 45 45 ASN N N 66 112.510 115.202 -2.692 1
1 331 . 20 1 1 A 45 45 ASN HA H 66 4.460 4.772 -0.312 1
1 337 . 20 1 1 A 46 46 GLY H H 67 7.480 7.721 -0.241 1
1 338 . 20 1 1 A 46 46 GLY N N 67 111.910 103.556 8.354 1
1 339 . 20 1 1 A 46 46 GLY HA2 H 67 2.060 4.088 -2.028 1
1 340 . 20 1 1 A 46 46 GLY HA3 H 67 3.210 4.095 -0.885 1
1 341 . 20 1 1 A 47 47 GLN H H 68 6.470 8.023 -1.553 1
1 342 . 20 1 1 A 47 47 GLN N N 68 114.550 119.489 -4.939 1
1 343 . 20 1 1 A 47 47 GLN HA H 68 3.730 4.766 -1.036 1
1 351 . 20 1 1 A 48 48 GLY H H 69 8.680 8.760 -0.080 1
1 352 . 20 1 1 A 48 48 GLY N N 69 115.150 112.307 2.843 1
1 353 . 20 1 1 A 48 48 GLY HA2 H 69 3.440 3.759 -0.319 1
1 354 . 20 1 1 A 48 48 GLY HA3 H 69 3.740 3.761 -0.021 1
1 355 . 20 1 1 A 49 49 GLY H H 70 9.620 8.324 1.296 1
1 356 . 20 1 1 A 49 49 GLY N N 70 114.790 111.791 2.999 1
1 357 . 20 1 1 A 49 49 GLY HA2 H 70 3.850 3.916 -0.066 1
1 358 . 20 1 1 A 49 49 GLY HA3 H 70 3.980 3.920 0.060 1
1 359 . 20 1 1 A 50 50 MET H H 71 8.100 8.025 0.075 1
1 360 . 20 1 1 A 50 50 MET N N 71 125.230 120.583 4.647 1
1 361 . 20 1 1 A 50 50 MET HA H 71 3.060 4.811 -1.751 1
1 369 . 20 1 1 A 51 51 PRO HA H 72 3.740 4.405 -0.665 1
1 373 . 20 1 1 A 52 52 GLY H H 73 7.670 8.275 -0.605 1
1 374 . 20 1 1 A 52 52 GLY N N 73 103.400 109.099 -5.699 1
1 375 . 20 1 1 A 52 52 GLY HA2 H 73 2.660 4.026 -1.366 1
1 376 . 20 1 1 A 52 52 GLY HA3 H 73 3.060 4.033 -0.973 1
1 377 . 20 1 1 A 53 53 GLY H H 74 7.530 9.008 -1.478 1
1 378 . 20 1 1 A 53 53 GLY N N 74 106.030 109.363 -3.333 1
1 379 . 20 1 1 A 53 53 GLY HA2 H 74 3.370 3.938 -0.568 1
1 380 . 20 1 1 A 53 53 GLY HA3 H 74 3.560 3.939 -0.379 1
1 381 . 20 1 1 A 54 54 ILE H H 75 9.500 8.117 1.383 1
1 382 . 20 1 1 A 54 54 ILE N N 75 124.150 118.990 5.160 1
1 383 . 20 1 1 A 54 54 ILE HA H 75 3.370 3.893 -0.523 1
1 393 . 20 1 1 A 55 55 ALA H H 76 6.620 7.584 -0.964 1
1 394 . 20 1 1 A 55 55 ALA N N 76 113.950 120.365 -6.415 1
1 395 . 20 1 1 A 55 55 ALA HA H 76 4.420 5.031 -0.611 1
1 399 . 20 1 1 A 56 56 LYS H H 77 8.420 8.393 0.027 1
1 400 . 20 1 1 A 56 56 LYS N N 77 114.790 120.206 -5.416 1
1 401 . 20 1 1 A 56 56 LYS HA H 77 4.320 4.835 -0.515 1
1 407 . 20 1 1 A 57 57 GLY H H 78 8.420 8.770 -0.350 1
1 408 . 20 1 1 A 57 57 GLY N N 78 107.590 110.052 -2.462 1
1 409 . 20 1 1 A 57 57 GLY HA2 H 78 3.640 3.922 -0.282 1
1 410 . 20 1 1 A 57 57 GLY HA3 H 78 3.740 3.924 -0.184 1
1 411 . 20 1 1 A 58 58 ALA H H 79 8.690 8.766 -0.076 1
1 412 . 20 1 1 A 58 58 ALA N N 79 127.150 128.438 -1.288 1
1 413 . 20 1 1 A 58 58 ALA HA H 79 4.040 4.045 -0.005 1
1 417 . 20 1 1 A 59 59 GLU H H 80 8.200 7.991 0.209 1
1 418 . 20 1 1 A 59 59 GLU N N 80 117.910 118.347 -0.437 1
1 419 . 20 1 1 A 59 59 GLU HA H 80 3.890 3.990 -0.100 1
1 424 . 20 1 1 A 60 60 ALA H H 81 6.820 8.001 -1.181 1
1 425 . 20 1 1 A 60 60 ALA N N 81 120.190 121.159 -0.969 1
1 426 . 20 1 1 A 60 60 ALA HA H 81 3.520 4.089 -0.569 1
1 430 . 20 1 1 A 61 61 GLU H H 82 7.940 8.460 -0.520 1
1 431 . 20 1 1 A 61 61 GLU N N 82 114.910 118.372 -3.462 1
1 432 . 20 1 1 A 61 61 GLU HA H 82 3.730 4.066 -0.336 1
1 437 . 20 1 1 A 62 62 ALA H H 83 7.910 8.257 -0.347 1
1 438 . 20 1 1 A 62 62 ALA N N 83 120.670 122.486 -1.816 1
1 439 . 20 1 1 A 62 62 ALA HA H 83 4.190 4.133 0.057 1
1 443 . 20 1 1 A 63 63 VAL H H 84 8.130 8.388 -0.258 1
1 444 . 20 1 1 A 63 63 VAL N N 84 119.230 118.125 1.105 1
1 445 . 20 1 1 A 63 63 VAL HA H 84 3.610 3.830 -0.220 1
1 453 . 20 1 1 A 64 64 ALA H H 85 8.600 8.813 -0.213 1
1 454 . 20 1 1 A 64 64 ALA N N 85 121.750 121.565 0.185 1
1 455 . 20 1 1 A 64 64 ALA HA H 85 4.080 3.936 0.144 1
1 459 . 20 1 1 A 65 65 ALA H H 86 7.690 8.313 -0.623 1
1 460 . 20 1 1 A 65 65 ALA N N 86 117.310 118.991 -1.681 1
1 461 . 20 1 1 A 65 65 ALA HA H 86 3.860 4.035 -0.175 1
1 465 . 20 1 1 A 66 66 TRP H H 87 7.810 8.379 -0.569 1
1 466 . 20 1 1 A 66 66 TRP N N 87 119.230 120.962 -1.732 1
1 467 . 20 1 1 A 66 66 TRP HA H 87 4.180 4.271 -0.091 1
1 476 . 20 1 1 A 67 67 LEU H H 88 9.070 8.485 0.585 1
1 477 . 20 1 1 A 67 67 LEU N N 88 118.630 120.536 -1.906 1
1 478 . 20 1 1 A 67 67 LEU HA H 88 3.760 3.203 0.557 1
1 488 . 20 1 1 A 68 68 ALA H H 89 8.100 8.538 -0.438 1
1 489 . 20 1 1 A 68 68 ALA N N 89 118.030 121.069 -3.039 1
1 490 . 20 1 1 A 68 68 ALA HA H 89 3.780 3.966 -0.186 1
1 494 . 20 1 1 A 69 69 GLU H H 90 6.710 8.460 -1.750 1
1 495 . 20 1 1 A 69 69 GLU N N 90 111.670 117.595 -5.925 1
1 496 . 20 1 1 A 69 69 GLU HA H 90 4.090 4.136 -0.046 1
1 501 . 20 1 1 A 70 70 LYS H H 91 7.460 7.288 0.172 1
1 502 . 20 1 1 A 70 70 LYS N N 91 122.830 120.825 2.005 1
1 503 . 20 1 1 A 70 70 LYS HA H 91 3.980 3.914 0.066 1
1 9 . 21 1 1 A 2 2 ASP H H 23 8.490 8.472 0.018 1
1 10 . 21 1 1 A 2 2 ASP N N 23 126.550 127.827 -1.277 1
1 11 . 21 1 1 A 2 2 ASP HA H 23 4.480 4.681 -0.201 1
1 14 . 21 1 1 A 3 3 ALA H H 24 8.280 8.820 -0.540 1
1 15 . 21 1 1 A 3 3 ALA N N 24 126.910 129.705 -2.795 1
1 16 . 21 1 1 A 3 3 ALA HA H 24 3.420 3.857 -0.437 1
1 20 . 21 1 1 A 4 4 GLU H H 25 7.590 7.903 -0.313 1
1 21 . 21 1 1 A 4 4 GLU N N 25 115.030 117.388 -2.358 1
1 22 . 21 1 1 A 4 4 GLU HA H 25 2.600 2.871 -0.271 1
1 27 . 21 1 1 A 5 5 ALA H H 26 7.060 8.389 -1.329 1
1 28 . 21 1 1 A 5 5 ALA N N 26 120.430 122.092 -1.662 1
1 29 . 21 1 1 A 5 5 ALA HA H 26 3.910 4.007 -0.097 1
1 33 . 21 1 1 A 6 6 VAL H H 27 7.550 8.043 -0.493 1
1 34 . 21 1 1 A 6 6 VAL N N 27 118.870 118.386 0.484 1
1 35 . 21 1 1 A 6 6 VAL HA H 27 3.570 3.565 0.005 1
1 43 . 21 1 1 A 7 7 VAL H H 28 8.090 8.119 -0.029 1
1 44 . 21 1 1 A 7 7 VAL N N 28 120.550 119.331 1.219 1
1 45 . 21 1 1 A 7 7 VAL HA H 28 4.010 3.733 0.277 1
1 53 . 21 1 1 A 8 8 GLN H H 29 7.830 8.097 -0.267 1
1 54 . 21 1 1 A 8 8 GLN N N 29 117.070 119.545 -2.475 1
1 55 . 21 1 1 A 8 8 GLN HA H 29 3.860 4.218 -0.358 1
1 63 . 21 1 1 A 9 9 GLN H H 30 7.640 8.026 -0.386 1
1 64 . 21 1 1 A 9 9 GLN N N 30 115.630 118.926 -3.296 1
1 65 . 21 1 1 A 9 9 GLN HA H 30 4.210 4.588 -0.378 1
1 73 . 21 1 1 A 10 10 LYS H H 31 8.760 8.215 0.545 1
1 74 . 21 1 1 A 10 10 LYS N N 31 113.830 118.258 -4.428 1
1 75 . 21 1 1 A 10 10 LYS HA H 31 4.860 4.386 0.474 1
1 83 . 21 1 1 A 11 11 CYS H H 32 8.770 8.405 0.365 1
1 84 . 21 1 1 A 11 11 CYS N N 32 114.980 117.949 -2.969 1
1 85 . 21 1 1 A 11 11 CYS HA H 32 6.040 4.511 1.529 1
1 88 . 21 1 1 A 12 12 ILE H H 33 6.960 7.977 -1.017 1
1 89 . 21 1 1 A 12 12 ILE N N 33 110.470 119.683 -9.213 1
1 90 . 21 1 1 A 12 12 ILE HA H 33 3.200 3.938 -0.738 1
1 97 . 21 1 1 A 13 13 SER H H 34 8.520 8.122 0.398 1
1 98 . 21 1 1 A 13 13 SER N N 34 119.350 117.457 1.893 1
1 99 . 21 1 1 A 13 13 SER HA H 34 3.870 4.142 -0.272 1
1 102 . 21 1 1 A 14 14 CYS H H 35 6.100 8.175 -2.075 1
1 103 . 21 1 1 A 14 14 CYS N N 35 114.670 116.740 -2.070 1
1 104 . 21 1 1 A 14 14 CYS HA H 35 4.370 4.566 -0.196 1
1 107 . 21 1 1 A 15 15 HIS H H 36 6.120 8.319 -2.199 1
1 108 . 21 1 1 A 15 15 HIS N N 36 112.870 117.125 -4.255 1
1 109 . 21 1 1 A 15 15 HIS HA H 36 2.580 4.474 -1.894 1
1 116 . 21 1 1 A 16 16 GLY H H 37 7.080 8.565 -1.485 1
1 117 . 21 1 1 A 16 16 GLY N N 37 106.750 107.034 -0.284 1
1 118 . 21 1 1 A 16 16 GLY HA2 H 37 3.200 3.940 -0.740 1
1 119 . 21 1 1 A 16 16 GLY HA3 H 37 3.920 3.955 -0.035 1
1 120 . 21 1 1 A 17 17 GLY H H 38 8.310 8.096 0.214 1
1 121 . 21 1 1 A 17 17 GLY N N 38 108.070 105.128 2.942 1
1 122 . 21 1 1 A 17 17 GLY HA2 H 38 3.440 4.077 -0.637 1
1 123 . 21 1 1 A 17 17 GLY HA3 H 38 3.670 4.080 -0.410 1
1 124 . 21 1 1 A 18 18 ASP H H 39 7.420 8.587 -1.167 1
1 125 . 21 1 1 A 18 18 ASP N N 39 115.870 121.203 -5.333 1
1 126 . 21 1 1 A 18 18 ASP HA H 39 4.460 4.794 -0.334 1
1 129 . 21 1 1 A 19 19 LEU H H 40 7.460 7.999 -0.539 1
1 130 . 21 1 1 A 19 19 LEU N N 40 109.030 116.565 -7.535 1
1 131 . 21 1 1 A 19 19 LEU HA H 40 3.150 4.122 -0.972 1
1 141 . 21 1 1 A 20 20 THR H H 41 7.390 8.218 -0.828 1
1 142 . 21 1 1 A 20 20 THR N N 41 105.670 111.649 -5.979 1
1 143 . 21 1 1 A 20 20 THR HA H 41 3.950 4.314 -0.364 1
1 148 . 21 1 1 A 21 21 GLY H H 42 7.610 8.063 -0.453 1
1 149 . 21 1 1 A 21 21 GLY N N 42 111.310 110.186 1.124 1
1 150 . 21 1 1 A 21 21 GLY HA2 H 42 2.600 4.097 -1.497 1
1 151 . 21 1 1 A 21 21 GLY HA3 H 42 3.980 4.136 -0.156 1
1 152 . 21 1 1 A 22 22 ALA H H 43 7.480 8.429 -0.949 1
1 153 . 21 1 1 A 22 22 ALA N N 43 125.590 126.213 -0.623 1
1 154 . 21 1 1 A 22 22 ALA HA H 43 3.980 4.477 -0.497 1
1 158 . 21 1 1 A 23 23 SER H H 44 7.760 8.261 -0.501 1
1 159 . 21 1 1 A 23 23 SER N N 44 118.630 113.400 5.230 1
1 160 . 21 1 1 A 23 23 SER HA H 44 4.080 4.541 -0.461 1
1 163 . 21 1 1 A 24 24 ALA H H 45 7.300 7.563 -0.263 1
1 164 . 21 1 1 A 24 24 ALA N N 45 125.110 121.422 3.688 1
1 165 . 21 1 1 A 24 24 ALA HA H 45 4.170 4.661 -0.491 1
1 169 . 21 1 1 A 25 25 PRO HA H 46 3.910 4.627 -0.717 1
1 176 . 21 1 1 A 26 26 ALA H H 47 7.920 8.346 -0.426 1
1 177 . 21 1 1 A 26 26 ALA N N 47 120.310 124.884 -4.574 1
1 178 . 21 1 1 A 26 26 ALA HA H 47 3.370 4.587 -1.217 1
1 182 . 21 1 1 A 27 27 ILE H H 48 7.770 8.766 -0.996 1
1 183 . 21 1 1 A 27 27 ILE N N 48 112.150 118.912 -6.762 1
1 184 . 21 1 1 A 27 27 ILE HA H 48 4.170 4.572 -0.402 1
1 194 . 21 1 1 A 28 28 ASP H H 49 8.250 8.513 -0.263 1
1 195 . 21 1 1 A 28 28 ASP N N 49 119.980 124.215 -4.235 1
1 196 . 21 1 1 A 28 28 ASP HA H 49 3.600 4.288 -0.688 1
1 199 . 21 1 1 A 29 29 LYS H H 50 7.720 8.042 -0.322 1
1 200 . 21 1 1 A 29 29 LYS N N 50 117.430 118.295 -0.865 1
1 201 . 21 1 1 A 29 29 LYS HA H 50 4.220 4.222 -0.002 1
1 209 . 21 1 1 A 30 30 ALA H H 51 7.130 8.248 -1.118 1
1 210 . 21 1 1 A 30 30 ALA N N 51 121.030 124.375 -3.345 1
1 211 . 21 1 1 A 30 30 ALA HA H 51 4.240 4.066 0.174 1
1 215 . 21 1 1 A 31 31 GLY H H 52 8.290 8.418 -0.128 1
1 216 . 21 1 1 A 31 31 GLY N N 52 103.990 106.454 -2.464 1
1 217 . 21 1 1 A 31 31 GLY HA2 H 52 3.670 3.875 -0.205 1
1 218 . 21 1 1 A 31 31 GLY HA3 H 52 4.370 3.926 0.444 1
1 219 . 21 1 1 A 32 32 ALA H H 53 7.970 8.267 -0.297 1
1 220 . 21 1 1 A 32 32 ALA N N 53 120.670 124.047 -3.377 1
1 221 . 21 1 1 A 32 32 ALA HA H 53 4.160 4.019 0.141 1
1 225 . 21 1 1 A 33 33 ASN H H 54 7.490 8.074 -0.584 1
1 226 . 21 1 1 A 33 33 ASN N N 54 113.350 114.293 -0.943 1
1 227 . 21 1 1 A 33 33 ASN HA H 54 4.590 4.529 0.061 1
1 233 . 21 1 1 A 34 34 TYR H H 55 8.070 8.044 0.026 1
1 234 . 21 1 1 A 34 34 TYR N N 55 118.270 115.512 2.758 1
1 235 . 21 1 1 A 34 34 TYR HA H 55 5.020 5.287 -0.267 1
1 240 . 21 1 1 A 35 35 SER H H 56 9.110 9.029 0.081 1
1 241 . 21 1 1 A 35 35 SER N N 56 114.910 119.727 -4.817 1
1 242 . 21 1 1 A 35 35 SER HA H 56 4.560 4.622 -0.062 1
1 245 . 21 1 1 A 36 36 GLU H H 57 9.020 9.092 -0.072 1
1 246 . 21 1 1 A 36 36 GLU N N 57 121.630 124.208 -2.578 1
1 247 . 21 1 1 A 36 36 GLU HA H 57 3.670 3.971 -0.301 1
1 251 . 21 1 1 A 37 37 GLU H H 58 8.680 8.359 0.321 1
1 252 . 21 1 1 A 37 37 GLU N N 58 116.230 117.555 -1.325 1
1 253 . 21 1 1 A 37 37 GLU HA H 58 3.810 4.099 -0.289 1
1 258 . 21 1 1 A 38 38 GLU H H 59 7.710 8.416 -0.706 1
1 259 . 21 1 1 A 38 38 GLU N N 59 120.070 119.937 0.133 1
1 260 . 21 1 1 A 38 38 GLU HA H 59 3.940 3.976 -0.036 1
1 265 . 21 1 1 A 39 39 ILE H H 60 8.370 8.078 0.292 1
1 266 . 21 1 1 A 39 39 ILE N N 60 119.710 120.732 -1.022 1
1 267 . 21 1 1 A 39 39 ILE HA H 60 3.360 3.640 -0.280 1
1 276 . 21 1 1 A 40 40 LEU H H 61 8.380 8.487 -0.107 1
1 277 . 21 1 1 A 40 40 LEU N N 61 119.710 121.365 -1.655 1
1 278 . 21 1 1 A 40 40 LEU HA H 61 3.690 3.948 -0.258 1
1 288 . 21 1 1 A 41 41 ASP H H 62 7.410 8.552 -1.142 1
1 289 . 21 1 1 A 41 41 ASP N N 62 116.590 117.940 -1.350 1
1 290 . 21 1 1 A 41 41 ASP HA H 62 4.010 4.366 -0.356 1
1 293 . 21 1 1 A 42 42 ILE H H 63 7.240 8.106 -0.866 1
1 294 . 21 1 1 A 42 42 ILE N N 63 120.430 119.603 0.827 1
1 295 . 21 1 1 A 42 42 ILE HA H 63 2.540 3.643 -1.103 1
1 305 . 21 1 1 A 43 43 ILE H H 64 7.550 8.562 -1.012 1
1 306 . 21 1 1 A 43 43 ILE N N 64 116.230 121.475 -5.245 1
1 307 . 21 1 1 A 43 43 ILE HA H 64 2.250 3.545 -1.295 1
1 317 . 21 1 1 A 44 44 LEU H H 65 8.560 8.422 0.138 1
1 318 . 21 1 1 A 44 44 LEU N N 65 115.630 118.781 -3.151 1
1 319 . 21 1 1 A 44 44 LEU HA H 65 3.700 3.974 -0.274 1
1 329 . 21 1 1 A 45 45 ASN H H 66 8.200 8.631 -0.431 1
1 330 . 21 1 1 A 45 45 ASN N N 66 112.510 114.755 -2.245 1
1 331 . 21 1 1 A 45 45 ASN HA H 66 4.460 4.642 -0.182 1
1 337 . 21 1 1 A 46 46 GLY H H 67 7.480 8.009 -0.529 1
1 338 . 21 1 1 A 46 46 GLY N N 67 111.910 104.767 7.143 1
1 339 . 21 1 1 A 46 46 GLY HA2 H 67 2.060 4.086 -2.026 1
1 340 . 21 1 1 A 46 46 GLY HA3 H 67 3.210 4.094 -0.884 1
1 341 . 21 1 1 A 47 47 GLN H H 68 6.470 8.369 -1.899 1
1 342 . 21 1 1 A 47 47 GLN N N 68 114.550 119.426 -4.876 1
1 343 . 21 1 1 A 47 47 GLN HA H 68 3.730 4.607 -0.877 1
1 351 . 21 1 1 A 48 48 GLY H H 69 8.680 8.930 -0.250 1
1 352 . 21 1 1 A 48 48 GLY N N 69 115.150 116.800 -1.650 1
1 353 . 21 1 1 A 48 48 GLY HA2 H 69 3.440 3.850 -0.410 1
1 354 . 21 1 1 A 48 48 GLY HA3 H 69 3.740 3.851 -0.111 1
1 355 . 21 1 1 A 49 49 GLY H H 70 9.620 8.913 0.707 1
1 356 . 21 1 1 A 49 49 GLY N N 70 114.790 114.473 0.317 1
1 357 . 21 1 1 A 49 49 GLY HA2 H 70 3.850 3.942 -0.092 1
1 358 . 21 1 1 A 49 49 GLY HA3 H 70 3.980 3.948 0.032 1
1 359 . 21 1 1 A 50 50 MET H H 71 8.100 7.989 0.111 1
1 360 . 21 1 1 A 50 50 MET N N 71 125.230 120.985 4.245 1
1 361 . 21 1 1 A 50 50 MET HA H 71 3.060 4.697 -1.637 1
1 369 . 21 1 1 A 51 51 PRO HA H 72 3.740 4.417 -0.677 1
1 373 . 21 1 1 A 52 52 GLY H H 73 7.670 8.219 -0.549 1
1 374 . 21 1 1 A 52 52 GLY N N 73 103.400 109.146 -5.746 1
1 375 . 21 1 1 A 52 52 GLY HA2 H 73 2.660 4.030 -1.370 1
1 376 . 21 1 1 A 52 52 GLY HA3 H 73 3.060 4.037 -0.977 1
1 377 . 21 1 1 A 53 53 GLY H H 74 7.530 8.903 -1.373 1
1 378 . 21 1 1 A 53 53 GLY N N 74 106.030 108.831 -2.801 1
1 379 . 21 1 1 A 53 53 GLY HA2 H 74 3.370 3.978 -0.608 1
1 380 . 21 1 1 A 53 53 GLY HA3 H 74 3.560 3.978 -0.418 1
1 381 . 21 1 1 A 54 54 ILE H H 75 9.500 8.082 1.418 1
1 382 . 21 1 1 A 54 54 ILE N N 75 124.150 119.711 4.439 1
1 383 . 21 1 1 A 54 54 ILE HA H 75 3.370 3.870 -0.500 1
1 393 . 21 1 1 A 55 55 ALA H H 76 6.620 7.604 -0.984 1
1 394 . 21 1 1 A 55 55 ALA N N 76 113.950 120.316 -6.366 1
1 395 . 21 1 1 A 55 55 ALA HA H 76 4.420 4.839 -0.419 1
1 399 . 21 1 1 A 56 56 LYS H H 77 8.420 8.952 -0.532 1
1 400 . 21 1 1 A 56 56 LYS N N 77 114.790 117.617 -2.827 1
1 401 . 21 1 1 A 56 56 LYS HA H 77 4.320 4.897 -0.577 1
1 407 . 21 1 1 A 57 57 GLY H H 78 8.420 8.748 -0.328 1
1 408 . 21 1 1 A 57 57 GLY N N 78 107.590 109.845 -2.255 1
1 409 . 21 1 1 A 57 57 GLY HA2 H 78 3.640 3.916 -0.276 1
1 410 . 21 1 1 A 57 57 GLY HA3 H 78 3.740 3.918 -0.178 1
1 411 . 21 1 1 A 58 58 ALA H H 79 8.690 8.736 -0.046 1
1 412 . 21 1 1 A 58 58 ALA N N 79 127.150 128.494 -1.344 1
1 413 . 21 1 1 A 58 58 ALA HA H 79 4.040 4.146 -0.106 1
1 417 . 21 1 1 A 59 59 GLU H H 80 8.200 8.137 0.063 1
1 418 . 21 1 1 A 59 59 GLU N N 80 117.910 118.010 -0.100 1
1 419 . 21 1 1 A 59 59 GLU HA H 80 3.890 3.993 -0.103 1
1 424 . 21 1 1 A 60 60 ALA H H 81 6.820 7.831 -1.011 1
1 425 . 21 1 1 A 60 60 ALA N N 81 120.190 120.838 -0.648 1
1 426 . 21 1 1 A 60 60 ALA HA H 81 3.520 4.114 -0.594 1
1 430 . 21 1 1 A 61 61 GLU H H 82 7.940 8.465 -0.525 1
1 431 . 21 1 1 A 61 61 GLU N N 82 114.910 118.483 -3.573 1
1 432 . 21 1 1 A 61 61 GLU HA H 82 3.730 4.045 -0.315 1
1 437 . 21 1 1 A 62 62 ALA H H 83 7.910 8.275 -0.365 1
1 438 . 21 1 1 A 62 62 ALA N N 83 120.670 122.405 -1.735 1
1 439 . 21 1 1 A 62 62 ALA HA H 83 4.190 4.152 0.038 1
1 443 . 21 1 1 A 63 63 VAL H H 84 8.130 8.220 -0.090 1
1 444 . 21 1 1 A 63 63 VAL N N 84 119.230 118.235 0.995 1
1 445 . 21 1 1 A 63 63 VAL HA H 84 3.610 3.729 -0.119 1
1 453 . 21 1 1 A 64 64 ALA H H 85 8.600 8.849 -0.249 1
1 454 . 21 1 1 A 64 64 ALA N N 85 121.750 121.267 0.483 1
1 455 . 21 1 1 A 64 64 ALA HA H 85 4.080 3.953 0.127 1
1 459 . 21 1 1 A 65 65 ALA H H 86 7.690 8.327 -0.637 1
1 460 . 21 1 1 A 65 65 ALA N N 86 117.310 118.922 -1.612 1
1 461 . 21 1 1 A 65 65 ALA HA H 86 3.860 4.057 -0.197 1
1 465 . 21 1 1 A 66 66 TRP H H 87 7.810 8.304 -0.494 1
1 466 . 21 1 1 A 66 66 TRP N N 87 119.230 120.810 -1.580 1
1 467 . 21 1 1 A 66 66 TRP HA H 87 4.180 4.244 -0.064 1
1 476 . 21 1 1 A 67 67 LEU H H 88 9.070 8.784 0.286 1
1 477 . 21 1 1 A 67 67 LEU N N 88 118.630 120.565 -1.935 1
1 478 . 21 1 1 A 67 67 LEU HA H 88 3.760 3.493 0.267 1
1 488 . 21 1 1 A 68 68 ALA H H 89 8.100 8.731 -0.631 1
1 489 . 21 1 1 A 68 68 ALA N N 89 118.030 122.038 -4.008 1
1 490 . 21 1 1 A 68 68 ALA HA H 89 3.780 3.939 -0.159 1
1 494 . 21 1 1 A 69 69 GLU H H 90 6.710 8.390 -1.680 1
1 495 . 21 1 1 A 69 69 GLU N N 90 111.670 115.795 -4.125 1
1 496 . 21 1 1 A 69 69 GLU HA H 90 4.090 4.104 -0.014 1
1 501 . 21 1 1 A 70 70 LYS H H 91 7.460 7.329 0.131 1
1 502 . 21 1 1 A 70 70 LYS N N 91 122.830 118.106 4.724 1
1 503 . 21 1 1 A 70 70 LYS HA H 91 3.980 4.090 -0.110 1
1 9 . 22 1 1 A 2 2 ASP H H 23 8.490 8.829 -0.339 1
1 10 . 22 1 1 A 2 2 ASP N N 23 126.550 127.957 -1.407 1
1 11 . 22 1 1 A 2 2 ASP HA H 23 4.480 4.543 -0.063 1
1 14 . 22 1 1 A 3 3 ALA H H 24 8.280 8.166 0.114 1
1 15 . 22 1 1 A 3 3 ALA N N 24 126.910 128.314 -1.404 1
1 16 . 22 1 1 A 3 3 ALA HA H 24 3.420 3.762 -0.342 1
1 20 . 22 1 1 A 4 4 GLU H H 25 7.590 7.412 0.178 1
1 21 . 22 1 1 A 4 4 GLU N N 25 115.030 116.890 -1.860 1
1 22 . 22 1 1 A 4 4 GLU HA H 25 2.600 2.414 0.186 1
1 27 . 22 1 1 A 5 5 ALA H H 26 7.060 7.493 -0.433 1
1 28 . 22 1 1 A 5 5 ALA N N 26 120.430 121.399 -0.969 1
1 29 . 22 1 1 A 5 5 ALA HA H 26 3.910 3.947 -0.037 1
1 33 . 22 1 1 A 6 6 VAL H H 27 7.550 7.899 -0.349 1
1 34 . 22 1 1 A 6 6 VAL N N 27 118.870 118.373 0.497 1
1 35 . 22 1 1 A 6 6 VAL HA H 27 3.570 3.572 -0.002 1
1 43 . 22 1 1 A 7 7 VAL H H 28 8.090 8.240 -0.150 1
1 44 . 22 1 1 A 7 7 VAL N N 28 120.550 119.562 0.988 1
1 45 . 22 1 1 A 7 7 VAL HA H 28 4.010 3.645 0.365 1
1 53 . 22 1 1 A 8 8 GLN H H 29 7.830 8.245 -0.415 1
1 54 . 22 1 1 A 8 8 GLN N N 29 117.070 118.664 -1.594 1
1 55 . 22 1 1 A 8 8 GLN HA H 29 3.860 4.276 -0.416 1
1 63 . 22 1 1 A 9 9 GLN H H 30 7.640 8.067 -0.427 1
1 64 . 22 1 1 A 9 9 GLN N N 30 115.630 117.966 -2.336 1
1 65 . 22 1 1 A 9 9 GLN HA H 30 4.210 4.575 -0.365 1
1 73 . 22 1 1 A 10 10 LYS H H 31 8.760 8.286 0.474 1
1 74 . 22 1 1 A 10 10 LYS N N 31 113.830 117.440 -3.610 1
1 75 . 22 1 1 A 10 10 LYS HA H 31 4.860 4.476 0.384 1
1 83 . 22 1 1 A 11 11 CYS H H 32 8.770 8.305 0.465 1
1 84 . 22 1 1 A 11 11 CYS N N 32 114.980 116.698 -1.718 1
1 85 . 22 1 1 A 11 11 CYS HA H 32 6.040 4.629 1.411 1
1 88 . 22 1 1 A 12 12 ILE H H 33 6.960 8.415 -1.455 1
1 89 . 22 1 1 A 12 12 ILE N N 33 110.470 119.858 -9.388 1
1 90 . 22 1 1 A 12 12 ILE HA H 33 3.200 3.958 -0.758 1
1 97 . 22 1 1 A 13 13 SER H H 34 8.520 8.325 0.195 1
1 98 . 22 1 1 A 13 13 SER N N 34 119.350 116.617 2.733 1
1 99 . 22 1 1 A 13 13 SER HA H 34 3.870 4.031 -0.161 1
1 102 . 22 1 1 A 14 14 CYS H H 35 6.100 7.837 -1.737 1
1 103 . 22 1 1 A 14 14 CYS N N 35 114.670 117.924 -3.254 1
1 104 . 22 1 1 A 14 14 CYS HA H 35 4.370 4.566 -0.196 1
1 107 . 22 1 1 A 15 15 HIS H H 36 6.120 8.019 -1.899 1
1 108 . 22 1 1 A 15 15 HIS N N 36 112.870 116.516 -3.646 1
1 109 . 22 1 1 A 15 15 HIS HA H 36 2.580 4.495 -1.915 1
1 116 . 22 1 1 A 16 16 GLY H H 37 7.080 8.135 -1.055 1
1 117 . 22 1 1 A 16 16 GLY N N 37 106.750 107.600 -0.850 1
1 118 . 22 1 1 A 16 16 GLY HA2 H 37 3.200 3.994 -0.794 1
1 119 . 22 1 1 A 16 16 GLY HA3 H 37 3.920 4.000 -0.080 1
1 120 . 22 1 1 A 17 17 GLY H H 38 8.310 8.869 -0.559 1
1 121 . 22 1 1 A 17 17 GLY N N 38 108.070 110.364 -2.294 1
1 122 . 22 1 1 A 17 17 GLY HA2 H 38 3.440 3.902 -0.462 1
1 123 . 22 1 1 A 17 17 GLY HA3 H 38 3.670 3.911 -0.241 1
1 124 . 22 1 1 A 18 18 ASP H H 39 7.420 7.823 -0.403 1
1 125 . 22 1 1 A 18 18 ASP N N 39 115.870 121.087 -5.217 1
1 126 . 22 1 1 A 18 18 ASP HA H 39 4.460 4.722 -0.262 1
1 129 . 22 1 1 A 19 19 LEU H H 40 7.460 8.191 -0.731 1
1 130 . 22 1 1 A 19 19 LEU N N 40 109.030 116.485 -7.455 1
1 131 . 22 1 1 A 19 19 LEU HA H 40 3.150 4.124 -0.974 1
1 141 . 22 1 1 A 20 20 THR H H 41 7.390 8.173 -0.783 1
1 142 . 22 1 1 A 20 20 THR N N 41 105.670 111.053 -5.383 1
1 143 . 22 1 1 A 20 20 THR HA H 41 3.950 4.315 -0.365 1
1 148 . 22 1 1 A 21 21 GLY H H 42 7.610 7.965 -0.355 1
1 149 . 22 1 1 A 21 21 GLY N N 42 111.310 110.041 1.269 1
1 150 . 22 1 1 A 21 21 GLY HA2 H 42 2.600 4.045 -1.445 1
1 151 . 22 1 1 A 21 21 GLY HA3 H 42 3.980 4.083 -0.103 1
1 152 . 22 1 1 A 22 22 ALA H H 43 7.480 8.191 -0.711 1
1 153 . 22 1 1 A 22 22 ALA N N 43 125.590 122.451 3.139 1
1 154 . 22 1 1 A 22 22 ALA HA H 43 3.980 4.159 -0.179 1
1 158 . 22 1 1 A 23 23 SER H H 44 7.760 8.330 -0.570 1
1 159 . 22 1 1 A 23 23 SER N N 44 118.630 111.686 6.944 1
1 160 . 22 1 1 A 23 23 SER HA H 44 4.080 4.483 -0.403 1
1 163 . 22 1 1 A 24 24 ALA H H 45 7.300 7.573 -0.273 1
1 164 . 22 1 1 A 24 24 ALA N N 45 125.110 121.525 3.585 1
1 165 . 22 1 1 A 24 24 ALA HA H 45 4.170 4.786 -0.616 1
1 169 . 22 1 1 A 25 25 PRO HA H 46 3.910 4.611 -0.701 1
1 176 . 22 1 1 A 26 26 ALA H H 47 7.920 8.382 -0.462 1
1 177 . 22 1 1 A 26 26 ALA N N 47 120.310 124.504 -4.194 1
1 178 . 22 1 1 A 26 26 ALA HA H 47 3.370 4.498 -1.128 1
1 182 . 22 1 1 A 27 27 ILE H H 48 7.770 8.570 -0.800 1
1 183 . 22 1 1 A 27 27 ILE N N 48 112.150 119.275 -7.125 1
1 184 . 22 1 1 A 27 27 ILE HA H 48 4.170 4.553 -0.383 1
1 194 . 22 1 1 A 28 28 ASP H H 49 8.250 8.206 0.044 1
1 195 . 22 1 1 A 28 28 ASP N N 49 119.980 123.400 -3.420 1
1 196 . 22 1 1 A 28 28 ASP HA H 49 3.600 4.170 -0.570 1
1 199 . 22 1 1 A 29 29 LYS H H 50 7.720 7.842 -0.122 1
1 200 . 22 1 1 A 29 29 LYS N N 50 117.430 117.389 0.041 1
1 201 . 22 1 1 A 29 29 LYS HA H 50 4.220 4.366 -0.146 1
1 209 . 22 1 1 A 30 30 ALA H H 51 7.130 8.136 -1.006 1
1 210 . 22 1 1 A 30 30 ALA N N 51 121.030 123.159 -2.129 1
1 211 . 22 1 1 A 30 30 ALA HA H 51 4.240 3.969 0.271 1
1 215 . 22 1 1 A 31 31 GLY H H 52 8.290 8.296 -0.006 1
1 216 . 22 1 1 A 31 31 GLY N N 52 103.990 105.650 -1.660 1
1 217 . 22 1 1 A 31 31 GLY HA2 H 52 3.670 3.760 -0.090 1
1 218 . 22 1 1 A 31 31 GLY HA3 H 52 4.370 3.806 0.564 1
1 219 . 22 1 1 A 32 32 ALA H H 53 7.970 7.954 0.016 1
1 220 . 22 1 1 A 32 32 ALA N N 53 120.670 124.748 -4.078 1
1 221 . 22 1 1 A 32 32 ALA HA H 53 4.160 3.924 0.236 1
1 225 . 22 1 1 A 33 33 ASN H H 54 7.490 8.084 -0.594 1
1 226 . 22 1 1 A 33 33 ASN N N 54 113.350 115.230 -1.880 1
1 227 . 22 1 1 A 33 33 ASN HA H 54 4.590 4.427 0.163 1
1 233 . 22 1 1 A 34 34 TYR H H 55 8.070 8.023 0.047 1
1 234 . 22 1 1 A 34 34 TYR N N 55 118.270 116.083 2.187 1
1 235 . 22 1 1 A 34 34 TYR HA H 55 5.020 5.083 -0.063 1
1 240 . 22 1 1 A 35 35 SER H H 56 9.110 8.975 0.135 1
1 241 . 22 1 1 A 35 35 SER N N 56 114.910 116.268 -1.358 1
1 242 . 22 1 1 A 35 35 SER HA H 56 4.560 4.825 -0.265 1
1 245 . 22 1 1 A 36 36 GLU H H 57 9.020 9.100 -0.080 1
1 246 . 22 1 1 A 36 36 GLU N N 57 121.630 122.788 -1.158 1
1 247 . 22 1 1 A 36 36 GLU HA H 57 3.670 4.079 -0.409 1
1 251 . 22 1 1 A 37 37 GLU H H 58 8.680 8.283 0.397 1
1 252 . 22 1 1 A 37 37 GLU N N 58 116.230 119.250 -3.020 1
1 253 . 22 1 1 A 37 37 GLU HA H 58 3.810 4.079 -0.269 1
1 258 . 22 1 1 A 38 38 GLU H H 59 7.710 8.190 -0.480 1
1 259 . 22 1 1 A 38 38 GLU N N 59 120.070 119.771 0.299 1
1 260 . 22 1 1 A 38 38 GLU HA H 59 3.940 3.954 -0.014 1
1 265 . 22 1 1 A 39 39 ILE H H 60 8.370 8.062 0.308 1
1 266 . 22 1 1 A 39 39 ILE N N 60 119.710 120.757 -1.047 1
1 267 . 22 1 1 A 39 39 ILE HA H 60 3.360 3.670 -0.310 1
1 276 . 22 1 1 A 40 40 LEU H H 61 8.380 8.472 -0.092 1
1 277 . 22 1 1 A 40 40 LEU N N 61 119.710 121.376 -1.666 1
1 278 . 22 1 1 A 40 40 LEU HA H 61 3.690 3.978 -0.288 1
1 288 . 22 1 1 A 41 41 ASP H H 62 7.410 8.408 -0.998 1
1 289 . 22 1 1 A 41 41 ASP N N 62 116.590 118.371 -1.781 1
1 290 . 22 1 1 A 41 41 ASP HA H 62 4.010 4.271 -0.261 1
1 293 . 22 1 1 A 42 42 ILE H H 63 7.240 8.052 -0.812 1
1 294 . 22 1 1 A 42 42 ILE N N 63 120.430 119.142 1.288 1
1 295 . 22 1 1 A 42 42 ILE HA H 63 2.540 3.668 -1.128 1
1 305 . 22 1 1 A 43 43 ILE H H 64 7.550 8.598 -1.048 1
1 306 . 22 1 1 A 43 43 ILE N N 64 116.230 121.483 -5.253 1
1 307 . 22 1 1 A 43 43 ILE HA H 64 2.250 3.529 -1.279 1
1 317 . 22 1 1 A 44 44 LEU H H 65 8.560 8.345 0.215 1
1 318 . 22 1 1 A 44 44 LEU N N 65 115.630 118.318 -2.688 1
1 319 . 22 1 1 A 44 44 LEU HA H 65 3.700 3.998 -0.298 1
1 329 . 22 1 1 A 45 45 ASN H H 66 8.200 8.659 -0.459 1
1 330 . 22 1 1 A 45 45 ASN N N 66 112.510 114.913 -2.403 1
1 331 . 22 1 1 A 45 45 ASN HA H 66 4.460 4.714 -0.254 1
1 337 . 22 1 1 A 46 46 GLY H H 67 7.480 7.901 -0.421 1
1 338 . 22 1 1 A 46 46 GLY N N 67 111.910 104.536 7.374 1
1 339 . 22 1 1 A 46 46 GLY HA2 H 67 2.060 4.114 -2.054 1
1 340 . 22 1 1 A 46 46 GLY HA3 H 67 3.210 4.124 -0.914 1
1 341 . 22 1 1 A 47 47 GLN H H 68 6.470 8.004 -1.534 1
1 342 . 22 1 1 A 47 47 GLN N N 68 114.550 119.277 -4.727 1
1 343 . 22 1 1 A 47 47 GLN HA H 68 3.730 4.710 -0.980 1
1 351 . 22 1 1 A 48 48 GLY H H 69 8.680 8.917 -0.237 1
1 352 . 22 1 1 A 48 48 GLY N N 69 115.150 116.223 -1.073 1
1 353 . 22 1 1 A 48 48 GLY HA2 H 69 3.440 3.866 -0.426 1
1 354 . 22 1 1 A 48 48 GLY HA3 H 69 3.740 3.870 -0.130 1
1 355 . 22 1 1 A 49 49 GLY H H 70 9.620 8.997 0.623 1
1 356 . 22 1 1 A 49 49 GLY N N 70 114.790 115.181 -0.391 1
1 357 . 22 1 1 A 49 49 GLY HA2 H 70 3.850 3.934 -0.084 1
1 358 . 22 1 1 A 49 49 GLY HA3 H 70 3.980 3.938 0.042 1
1 359 . 22 1 1 A 50 50 MET H H 71 8.100 7.967 0.133 1
1 360 . 22 1 1 A 50 50 MET N N 71 125.230 121.248 3.982 1
1 361 . 22 1 1 A 50 50 MET HA H 71 3.060 4.647 -1.587 1
1 369 . 22 1 1 A 51 51 PRO HA H 72 3.740 4.391 -0.651 1
1 373 . 22 1 1 A 52 52 GLY H H 73 7.670 8.282 -0.612 1
1 374 . 22 1 1 A 52 52 GLY N N 73 103.400 109.315 -5.915 1
1 375 . 22 1 1 A 52 52 GLY HA2 H 73 2.660 4.069 -1.409 1
1 376 . 22 1 1 A 52 52 GLY HA3 H 73 3.060 4.077 -1.017 1
1 377 . 22 1 1 A 53 53 GLY H H 74 7.530 8.948 -1.418 1
1 378 . 22 1 1 A 53 53 GLY N N 74 106.030 109.270 -3.240 1
1 379 . 22 1 1 A 53 53 GLY HA2 H 74 3.370 3.921 -0.551 1
1 380 . 22 1 1 A 53 53 GLY HA3 H 74 3.560 3.923 -0.363 1
1 381 . 22 1 1 A 54 54 ILE H H 75 9.500 8.124 1.376 1
1 382 . 22 1 1 A 54 54 ILE N N 75 124.150 118.563 5.587 1
1 383 . 22 1 1 A 54 54 ILE HA H 75 3.370 3.912 -0.542 1
1 393 . 22 1 1 A 55 55 ALA H H 76 6.620 7.610 -0.990 1
1 394 . 22 1 1 A 55 55 ALA N N 76 113.950 120.374 -6.424 1
1 395 . 22 1 1 A 55 55 ALA HA H 76 4.420 4.830 -0.410 1
1 399 . 22 1 1 A 56 56 LYS H H 77 8.420 9.028 -0.608 1
1 400 . 22 1 1 A 56 56 LYS N N 77 114.790 121.116 -6.326 1
1 401 . 22 1 1 A 56 56 LYS HA H 77 4.320 4.643 -0.323 1
1 407 . 22 1 1 A 57 57 GLY H H 78 8.420 8.745 -0.325 1
1 408 . 22 1 1 A 57 57 GLY N N 78 107.590 111.694 -4.104 1
1 409 . 22 1 1 A 57 57 GLY HA2 H 78 3.640 3.921 -0.281 1
1 410 . 22 1 1 A 57 57 GLY HA3 H 78 3.740 3.923 -0.183 1
1 411 . 22 1 1 A 58 58 ALA H H 79 8.690 8.685 0.005 1
1 412 . 22 1 1 A 58 58 ALA N N 79 127.150 128.260 -1.110 1
1 413 . 22 1 1 A 58 58 ALA HA H 79 4.040 4.038 0.002 1
1 417 . 22 1 1 A 59 59 GLU H H 80 8.200 8.088 0.112 1
1 418 . 22 1 1 A 59 59 GLU N N 80 117.910 118.195 -0.285 1
1 419 . 22 1 1 A 59 59 GLU HA H 80 3.890 3.993 -0.103 1
1 424 . 22 1 1 A 60 60 ALA H H 81 6.820 7.784 -0.964 1
1 425 . 22 1 1 A 60 60 ALA N N 81 120.190 120.803 -0.613 1
1 426 . 22 1 1 A 60 60 ALA HA H 81 3.520 4.086 -0.566 1
1 430 . 22 1 1 A 61 61 GLU H H 82 7.940 8.436 -0.496 1
1 431 . 22 1 1 A 61 61 GLU N N 82 114.910 118.566 -3.656 1
1 432 . 22 1 1 A 61 61 GLU HA H 82 3.730 4.036 -0.306 1
1 437 . 22 1 1 A 62 62 ALA H H 83 7.910 8.188 -0.278 1
1 438 . 22 1 1 A 62 62 ALA N N 83 120.670 122.341 -1.671 1
1 439 . 22 1 1 A 62 62 ALA HA H 83 4.190 4.110 0.080 1
1 443 . 22 1 1 A 63 63 VAL H H 84 8.130 8.154 -0.024 1
1 444 . 22 1 1 A 63 63 VAL N N 84 119.230 118.480 0.750 1
1 445 . 22 1 1 A 63 63 VAL HA H 84 3.610 3.738 -0.128 1
1 453 . 22 1 1 A 64 64 ALA H H 85 8.600 8.803 -0.203 1
1 454 . 22 1 1 A 64 64 ALA N N 85 121.750 121.965 -0.215 1
1 455 . 22 1 1 A 64 64 ALA HA H 85 4.080 3.960 0.120 1
1 459 . 22 1 1 A 65 65 ALA H H 86 7.690 8.173 -0.483 1
1 460 . 22 1 1 A 65 65 ALA N N 86 117.310 119.085 -1.775 1
1 461 . 22 1 1 A 65 65 ALA HA H 86 3.860 4.054 -0.194 1
1 465 . 22 1 1 A 66 66 TRP H H 87 7.810 8.557 -0.747 1
1 466 . 22 1 1 A 66 66 TRP N N 87 119.230 120.723 -1.493 1
1 467 . 22 1 1 A 66 66 TRP HA H 87 4.180 4.243 -0.063 1
1 476 . 22 1 1 A 67 67 LEU H H 88 9.070 8.665 0.405 1
1 477 . 22 1 1 A 67 67 LEU N N 88 118.630 120.905 -2.275 1
1 478 . 22 1 1 A 67 67 LEU HA H 88 3.760 3.584 0.176 1
1 488 . 22 1 1 A 68 68 ALA H H 89 8.100 8.518 -0.418 1
1 489 . 22 1 1 A 68 68 ALA N N 89 118.030 120.844 -2.814 1
1 490 . 22 1 1 A 68 68 ALA HA H 89 3.780 3.922 -0.142 1
1 494 . 22 1 1 A 69 69 GLU H H 90 6.710 8.077 -1.367 1
1 495 . 22 1 1 A 69 69 GLU N N 90 111.670 118.413 -6.743 1
1 496 . 22 1 1 A 69 69 GLU HA H 90 4.090 4.039 0.051 1
1 501 . 22 1 1 A 70 70 LYS H H 91 7.460 7.768 -0.308 1
1 502 . 22 1 1 A 70 70 LYS N N 91 122.830 118.837 3.993 1
1 503 . 22 1 1 A 70 70 LYS HA H 91 3.980 4.033 -0.053 1
1 9 . 23 1 1 A 2 2 ASP H H 23 8.490 8.742 -0.252 1
1 10 . 23 1 1 A 2 2 ASP N N 23 126.550 127.443 -0.893 1
1 11 . 23 1 1 A 2 2 ASP HA H 23 4.480 4.546 -0.066 1
1 14 . 23 1 1 A 3 3 ALA H H 24 8.280 8.507 -0.227 1
1 15 . 23 1 1 A 3 3 ALA N N 24 126.910 127.821 -0.911 1
1 16 . 23 1 1 A 3 3 ALA HA H 24 3.420 3.800 -0.380 1
1 20 . 23 1 1 A 4 4 GLU H H 25 7.590 7.496 0.094 1
1 21 . 23 1 1 A 4 4 GLU N N 25 115.030 115.772 -0.742 1
1 22 . 23 1 1 A 4 4 GLU HA H 25 2.600 2.425 0.175 1
1 27 . 23 1 1 A 5 5 ALA H H 26 7.060 7.674 -0.614 1
1 28 . 23 1 1 A 5 5 ALA N N 26 120.430 121.791 -1.361 1
1 29 . 23 1 1 A 5 5 ALA HA H 26 3.910 4.006 -0.096 1
1 33 . 23 1 1 A 6 6 VAL H H 27 7.550 7.979 -0.429 1
1 34 . 23 1 1 A 6 6 VAL N N 27 118.870 118.371 0.499 1
1 35 . 23 1 1 A 6 6 VAL HA H 27 3.570 3.604 -0.034 1
1 43 . 23 1 1 A 7 7 VAL H H 28 8.090 8.048 0.042 1
1 44 . 23 1 1 A 7 7 VAL N N 28 120.550 119.163 1.387 1
1 45 . 23 1 1 A 7 7 VAL HA H 28 4.010 4.103 -0.093 1
1 53 . 23 1 1 A 8 8 GLN H H 29 7.830 7.988 -0.158 1
1 54 . 23 1 1 A 8 8 GLN N N 29 117.070 119.069 -1.999 1
1 55 . 23 1 1 A 8 8 GLN HA H 29 3.860 4.355 -0.495 1
1 63 . 23 1 1 A 9 9 GLN H H 30 7.640 8.077 -0.437 1
1 64 . 23 1 1 A 9 9 GLN N N 30 115.630 118.589 -2.959 1
1 65 . 23 1 1 A 9 9 GLN HA H 30 4.210 4.623 -0.413 1
1 73 . 23 1 1 A 10 10 LYS H H 31 8.760 8.298 0.462 1
1 74 . 23 1 1 A 10 10 LYS N N 31 113.830 118.325 -4.495 1
1 75 . 23 1 1 A 10 10 LYS HA H 31 4.860 4.382 0.478 1
1 83 . 23 1 1 A 11 11 CYS H H 32 8.770 8.410 0.360 1
1 84 . 23 1 1 A 11 11 CYS N N 32 114.980 117.507 -2.527 1
1 85 . 23 1 1 A 11 11 CYS HA H 32 6.040 4.476 1.564 1
1 88 . 23 1 1 A 12 12 ILE H H 33 6.960 7.931 -0.971 1
1 89 . 23 1 1 A 12 12 ILE N N 33 110.470 120.002 -9.532 1
1 90 . 23 1 1 A 12 12 ILE HA H 33 3.200 3.961 -0.761 1
1 97 . 23 1 1 A 13 13 SER H H 34 8.520 8.269 0.251 1
1 98 . 23 1 1 A 13 13 SER N N 34 119.350 116.913 2.437 1
1 99 . 23 1 1 A 13 13 SER HA H 34 3.870 4.096 -0.226 1
1 102 . 23 1 1 A 14 14 CYS H H 35 6.100 8.161 -2.061 1
1 103 . 23 1 1 A 14 14 CYS N N 35 114.670 117.826 -3.156 1
1 104 . 23 1 1 A 14 14 CYS HA H 35 4.370 4.566 -0.196 1
1 107 . 23 1 1 A 15 15 HIS H H 36 6.120 8.358 -2.238 1
1 108 . 23 1 1 A 15 15 HIS N N 36 112.870 116.591 -3.721 1
1 109 . 23 1 1 A 15 15 HIS HA H 36 2.580 4.516 -1.936 1
1 116 . 23 1 1 A 16 16 GLY H H 37 7.080 8.023 -0.943 1
1 117 . 23 1 1 A 16 16 GLY N N 37 106.750 107.642 -0.892 1
1 118 . 23 1 1 A 16 16 GLY HA2 H 37 3.200 3.994 -0.794 1
1 119 . 23 1 1 A 16 16 GLY HA3 H 37 3.920 4.000 -0.080 1
1 120 . 23 1 1 A 17 17 GLY H H 38 8.310 8.858 -0.548 1
1 121 . 23 1 1 A 17 17 GLY N N 38 108.070 110.682 -2.612 1
1 122 . 23 1 1 A 17 17 GLY HA2 H 38 3.440 3.887 -0.447 1
1 123 . 23 1 1 A 17 17 GLY HA3 H 38 3.670 3.896 -0.226 1
1 124 . 23 1 1 A 18 18 ASP H H 39 7.420 7.736 -0.316 1
1 125 . 23 1 1 A 18 18 ASP N N 39 115.870 120.761 -4.891 1
1 126 . 23 1 1 A 18 18 ASP HA H 39 4.460 4.799 -0.339 1
1 129 . 23 1 1 A 19 19 LEU H H 40 7.460 8.172 -0.712 1
1 130 . 23 1 1 A 19 19 LEU N N 40 109.030 116.481 -7.451 1
1 131 . 23 1 1 A 19 19 LEU HA H 40 3.150 4.140 -0.990 1
1 141 . 23 1 1 A 20 20 THR H H 41 7.390 8.173 -0.783 1
1 142 . 23 1 1 A 20 20 THR N N 41 105.670 111.093 -5.423 1
1 143 . 23 1 1 A 20 20 THR HA H 41 3.950 4.304 -0.354 1
1 148 . 23 1 1 A 21 21 GLY H H 42 7.610 8.093 -0.483 1
1 149 . 23 1 1 A 21 21 GLY N N 42 111.310 110.394 0.916 1
1 150 . 23 1 1 A 21 21 GLY HA2 H 42 2.600 4.060 -1.460 1
1 151 . 23 1 1 A 21 21 GLY HA3 H 42 3.980 4.100 -0.120 1
1 152 . 23 1 1 A 22 22 ALA H H 43 7.480 8.240 -0.760 1
1 153 . 23 1 1 A 22 22 ALA N N 43 125.590 123.639 1.951 1
1 154 . 23 1 1 A 22 22 ALA HA H 43 3.980 4.351 -0.371 1
1 158 . 23 1 1 A 23 23 SER H H 44 7.760 8.216 -0.456 1
1 159 . 23 1 1 A 23 23 SER N N 44 118.630 113.373 5.257 1
1 160 . 23 1 1 A 23 23 SER HA H 44 4.080 4.571 -0.491 1
1 163 . 23 1 1 A 24 24 ALA H H 45 7.300 7.563 -0.263 1
1 164 . 23 1 1 A 24 24 ALA N N 45 125.110 121.427 3.683 1
1 165 . 23 1 1 A 24 24 ALA HA H 45 4.170 4.736 -0.566 1
1 169 . 23 1 1 A 25 25 PRO HA H 46 3.910 4.629 -0.719 1
1 176 . 23 1 1 A 26 26 ALA H H 47 7.920 8.386 -0.466 1
1 177 . 23 1 1 A 26 26 ALA N N 47 120.310 124.408 -4.098 1
1 178 . 23 1 1 A 26 26 ALA HA H 47 3.370 4.429 -1.059 1
1 182 . 23 1 1 A 27 27 ILE H H 48 7.770 8.522 -0.752 1
1 183 . 23 1 1 A 27 27 ILE N N 48 112.150 118.940 -6.790 1
1 184 . 23 1 1 A 27 27 ILE HA H 48 4.170 4.476 -0.306 1
1 194 . 23 1 1 A 28 28 ASP H H 49 8.250 8.299 -0.049 1
1 195 . 23 1 1 A 28 28 ASP N N 49 119.980 123.935 -3.955 1
1 196 . 23 1 1 A 28 28 ASP HA H 49 3.600 4.265 -0.665 1
1 199 . 23 1 1 A 29 29 LYS H H 50 7.720 7.821 -0.101 1
1 200 . 23 1 1 A 29 29 LYS N N 50 117.430 117.539 -0.109 1
1 201 . 23 1 1 A 29 29 LYS HA H 50 4.220 4.348 -0.128 1
1 209 . 23 1 1 A 30 30 ALA H H 51 7.130 8.189 -1.059 1
1 210 . 23 1 1 A 30 30 ALA N N 51 121.030 122.893 -1.863 1
1 211 . 23 1 1 A 30 30 ALA HA H 51 4.240 4.002 0.238 1
1 215 . 23 1 1 A 31 31 GLY H H 52 8.290 8.317 -0.027 1
1 216 . 23 1 1 A 31 31 GLY N N 52 103.990 105.730 -1.740 1
1 217 . 23 1 1 A 31 31 GLY HA2 H 52 3.670 3.786 -0.116 1
1 218 . 23 1 1 A 31 31 GLY HA3 H 52 4.370 3.835 0.535 1
1 219 . 23 1 1 A 32 32 ALA H H 53 7.970 8.002 -0.032 1
1 220 . 23 1 1 A 32 32 ALA N N 53 120.670 124.691 -4.021 1
1 221 . 23 1 1 A 32 32 ALA HA H 53 4.160 3.944 0.216 1
1 225 . 23 1 1 A 33 33 ASN H H 54 7.490 7.883 -0.393 1
1 226 . 23 1 1 A 33 33 ASN N N 54 113.350 114.345 -0.995 1
1 227 . 23 1 1 A 33 33 ASN HA H 54 4.590 4.515 0.075 1
1 233 . 23 1 1 A 34 34 TYR H H 55 8.070 8.190 -0.120 1
1 234 . 23 1 1 A 34 34 TYR N N 55 118.270 115.429 2.841 1
1 235 . 23 1 1 A 34 34 TYR HA H 55 5.020 5.220 -0.200 1
1 240 . 23 1 1 A 35 35 SER H H 56 9.110 8.979 0.131 1
1 241 . 23 1 1 A 35 35 SER N N 56 114.910 119.161 -4.251 1
1 242 . 23 1 1 A 35 35 SER HA H 56 4.560 4.631 -0.071 1
1 245 . 23 1 1 A 36 36 GLU H H 57 9.020 9.100 -0.080 1
1 246 . 23 1 1 A 36 36 GLU N N 57 121.630 123.039 -1.409 1
1 247 . 23 1 1 A 36 36 GLU HA H 57 3.670 4.078 -0.408 1
1 251 . 23 1 1 A 37 37 GLU H H 58 8.680 8.396 0.284 1
1 252 . 23 1 1 A 37 37 GLU N N 58 116.230 119.359 -3.129 1
1 253 . 23 1 1 A 37 37 GLU HA H 58 3.810 4.078 -0.268 1
1 258 . 23 1 1 A 38 38 GLU H H 59 7.710 8.133 -0.423 1
1 259 . 23 1 1 A 38 38 GLU N N 59 120.070 119.705 0.365 1
1 260 . 23 1 1 A 38 38 GLU HA H 59 3.940 3.959 -0.019 1
1 265 . 23 1 1 A 39 39 ILE H H 60 8.370 8.030 0.340 1
1 266 . 23 1 1 A 39 39 ILE N N 60 119.710 120.782 -1.072 1
1 267 . 23 1 1 A 39 39 ILE HA H 60 3.360 3.658 -0.298 1
1 276 . 23 1 1 A 40 40 LEU H H 61 8.380 8.463 -0.083 1
1 277 . 23 1 1 A 40 40 LEU N N 61 119.710 121.468 -1.758 1
1 278 . 23 1 1 A 40 40 LEU HA H 61 3.690 3.966 -0.276 1
1 288 . 23 1 1 A 41 41 ASP H H 62 7.410 8.502 -1.092 1
1 289 . 23 1 1 A 41 41 ASP N N 62 116.590 118.308 -1.718 1
1 290 . 23 1 1 A 41 41 ASP HA H 62 4.010 4.251 -0.241 1
1 293 . 23 1 1 A 42 42 ILE H H 63 7.240 8.322 -1.082 1
1 294 . 23 1 1 A 42 42 ILE N N 63 120.430 118.577 1.853 1
1 295 . 23 1 1 A 42 42 ILE HA H 63 2.540 3.632 -1.092 1
1 305 . 23 1 1 A 43 43 ILE H H 64 7.550 8.492 -0.942 1
1 306 . 23 1 1 A 43 43 ILE N N 64 116.230 120.899 -4.669 1
1 307 . 23 1 1 A 43 43 ILE HA H 64 2.250 3.569 -1.319 1
1 317 . 23 1 1 A 44 44 LEU H H 65 8.560 8.609 -0.049 1
1 318 . 23 1 1 A 44 44 LEU N N 65 115.630 118.277 -2.647 1
1 319 . 23 1 1 A 44 44 LEU HA H 65 3.700 3.983 -0.283 1
1 329 . 23 1 1 A 45 45 ASN H H 66 8.200 8.473 -0.273 1
1 330 . 23 1 1 A 45 45 ASN N N 66 112.510 114.561 -2.051 1
1 331 . 23 1 1 A 45 45 ASN HA H 66 4.460 4.664 -0.204 1
1 337 . 23 1 1 A 46 46 GLY H H 67 7.480 8.042 -0.562 1
1 338 . 23 1 1 A 46 46 GLY N N 67 111.910 105.358 6.552 1
1 339 . 23 1 1 A 46 46 GLY HA2 H 67 2.060 4.076 -2.016 1
1 340 . 23 1 1 A 46 46 GLY HA3 H 67 3.210 4.085 -0.875 1
1 341 . 23 1 1 A 47 47 GLN H H 68 6.470 8.450 -1.980 1
1 342 . 23 1 1 A 47 47 GLN N N 68 114.550 123.503 -8.953 1
1 343 . 23 1 1 A 47 47 GLN HA H 68 3.730 4.208 -0.478 1
1 351 . 23 1 1 A 48 48 GLY H H 69 8.680 8.744 -0.064 1
1 352 . 23 1 1 A 48 48 GLY N N 69 115.150 111.452 3.698 1
1 353 . 23 1 1 A 48 48 GLY HA2 H 69 3.440 3.825 -0.385 1
1 354 . 23 1 1 A 48 48 GLY HA3 H 69 3.740 3.828 -0.088 1
1 355 . 23 1 1 A 49 49 GLY H H 70 9.620 8.097 1.523 1
1 356 . 23 1 1 A 49 49 GLY N N 70 114.790 108.293 6.497 1
1 357 . 23 1 1 A 49 49 GLY HA2 H 70 3.850 3.960 -0.110 1
1 358 . 23 1 1 A 49 49 GLY HA3 H 70 3.980 3.962 0.018 1
1 359 . 23 1 1 A 50 50 MET H H 71 8.100 8.013 0.087 1
1 360 . 23 1 1 A 50 50 MET N N 71 125.230 120.502 4.728 1
1 361 . 23 1 1 A 50 50 MET HA H 71 3.060 4.739 -1.679 1
1 369 . 23 1 1 A 51 51 PRO HA H 72 3.740 4.395 -0.655 1
1 373 . 23 1 1 A 52 52 GLY H H 73 7.670 8.300 -0.630 1
1 374 . 23 1 1 A 52 52 GLY N N 73 103.400 109.149 -5.749 1
1 375 . 23 1 1 A 52 52 GLY HA2 H 73 2.660 4.031 -1.371 1
1 376 . 23 1 1 A 52 52 GLY HA3 H 73 3.060 4.040 -0.980 1
1 377 . 23 1 1 A 53 53 GLY H H 74 7.530 9.032 -1.502 1
1 378 . 23 1 1 A 53 53 GLY N N 74 106.030 109.400 -3.370 1
1 379 . 23 1 1 A 53 53 GLY HA2 H 74 3.370 3.931 -0.561 1
1 380 . 23 1 1 A 53 53 GLY HA3 H 74 3.560 3.932 -0.372 1
1 381 . 23 1 1 A 54 54 ILE H H 75 9.500 8.121 1.379 1
1 382 . 23 1 1 A 54 54 ILE N N 75 124.150 118.909 5.241 1
1 383 . 23 1 1 A 54 54 ILE HA H 75 3.370 3.916 -0.546 1
1 393 . 23 1 1 A 55 55 ALA H H 76 6.620 7.579 -0.959 1
1 394 . 23 1 1 A 55 55 ALA N N 76 113.950 120.385 -6.435 1
1 395 . 23 1 1 A 55 55 ALA HA H 76 4.420 4.831 -0.411 1
1 399 . 23 1 1 A 56 56 LYS H H 77 8.420 8.992 -0.572 1
1 400 . 23 1 1 A 56 56 LYS N N 77 114.790 121.600 -6.810 1
1 401 . 23 1 1 A 56 56 LYS HA H 77 4.320 4.632 -0.312 1
1 407 . 23 1 1 A 57 57 GLY H H 78 8.420 8.750 -0.330 1
1 408 . 23 1 1 A 57 57 GLY N N 78 107.590 112.998 -5.408 1
1 409 . 23 1 1 A 57 57 GLY HA2 H 78 3.640 3.916 -0.276 1
1 410 . 23 1 1 A 57 57 GLY HA3 H 78 3.740 3.918 -0.178 1
1 411 . 23 1 1 A 58 58 ALA H H 79 8.690 8.719 -0.029 1
1 412 . 23 1 1 A 58 58 ALA N N 79 127.150 128.411 -1.261 1
1 413 . 23 1 1 A 58 58 ALA HA H 79 4.040 4.024 0.016 1
1 417 . 23 1 1 A 59 59 GLU H H 80 8.200 8.011 0.189 1
1 418 . 23 1 1 A 59 59 GLU N N 80 117.910 118.356 -0.446 1
1 419 . 23 1 1 A 59 59 GLU HA H 80 3.890 3.990 -0.100 1
1 424 . 23 1 1 A 60 60 ALA H H 81 6.820 7.828 -1.008 1
1 425 . 23 1 1 A 60 60 ALA N N 81 120.190 120.879 -0.689 1
1 426 . 23 1 1 A 60 60 ALA HA H 81 3.520 4.089 -0.569 1
1 430 . 23 1 1 A 61 61 GLU H H 82 7.940 8.368 -0.428 1
1 431 . 23 1 1 A 61 61 GLU N N 82 114.910 118.494 -3.584 1
1 432 . 23 1 1 A 61 61 GLU HA H 82 3.730 4.031 -0.301 1
1 437 . 23 1 1 A 62 62 ALA H H 83 7.910 8.216 -0.306 1
1 438 . 23 1 1 A 62 62 ALA N N 83 120.670 122.366 -1.696 1
1 439 . 23 1 1 A 62 62 ALA HA H 83 4.190 4.118 0.072 1
1 443 . 23 1 1 A 63 63 VAL H H 84 8.130 8.225 -0.095 1
1 444 . 23 1 1 A 63 63 VAL N N 84 119.230 118.072 1.158 1
1 445 . 23 1 1 A 63 63 VAL HA H 84 3.610 3.691 -0.081 1
1 453 . 23 1 1 A 64 64 ALA H H 85 8.600 8.824 -0.224 1
1 454 . 23 1 1 A 64 64 ALA N N 85 121.750 121.581 0.169 1
1 455 . 23 1 1 A 64 64 ALA HA H 85 4.080 3.993 0.087 1
1 459 . 23 1 1 A 65 65 ALA H H 86 7.690 8.116 -0.426 1
1 460 . 23 1 1 A 65 65 ALA N N 86 117.310 119.007 -1.697 1
1 461 . 23 1 1 A 65 65 ALA HA H 86 3.860 4.059 -0.199 1
1 465 . 23 1 1 A 66 66 TRP H H 87 7.810 8.242 -0.432 1
1 466 . 23 1 1 A 66 66 TRP N N 87 119.230 120.779 -1.549 1
1 467 . 23 1 1 A 66 66 TRP HA H 87 4.180 4.241 -0.061 1
1 476 . 23 1 1 A 67 67 LEU H H 88 9.070 8.875 0.195 1
1 477 . 23 1 1 A 67 67 LEU N N 88 118.630 121.344 -2.714 1
1 478 . 23 1 1 A 67 67 LEU HA H 88 3.760 3.674 0.086 1
1 488 . 23 1 1 A 68 68 ALA H H 89 8.100 8.623 -0.523 1
1 489 . 23 1 1 A 68 68 ALA N N 89 118.030 121.057 -3.027 1
1 490 . 23 1 1 A 68 68 ALA HA H 89 3.780 3.902 -0.122 1
1 494 . 23 1 1 A 69 69 GLU H H 90 6.710 8.012 -1.302 1
1 495 . 23 1 1 A 69 69 GLU N N 90 111.670 118.316 -6.646 1
1 496 . 23 1 1 A 69 69 GLU HA H 90 4.090 4.033 0.057 1
1 501 . 23 1 1 A 70 70 LYS H H 91 7.460 7.701 -0.241 1
1 502 . 23 1 1 A 70 70 LYS N N 91 122.830 117.659 5.171 1
1 503 . 23 1 1 A 70 70 LYS HA H 91 3.980 4.075 -0.095 1
1 9 . 24 1 1 A 2 2 ASP H H 23 8.490 8.767 -0.277 1
1 10 . 24 1 1 A 2 2 ASP N N 23 126.550 127.581 -1.031 1
1 11 . 24 1 1 A 2 2 ASP HA H 23 4.480 4.583 -0.103 1
1 14 . 24 1 1 A 3 3 ALA H H 24 8.280 8.558 -0.278 1
1 15 . 24 1 1 A 3 3 ALA N N 24 126.910 128.116 -1.206 1
1 16 . 24 1 1 A 3 3 ALA HA H 24 3.420 3.811 -0.391 1
1 20 . 24 1 1 A 4 4 GLU H H 25 7.590 7.784 -0.194 1
1 21 . 24 1 1 A 4 4 GLU N N 25 115.030 116.389 -1.359 1
1 22 . 24 1 1 A 4 4 GLU HA H 25 2.600 2.976 -0.376 1
1 27 . 24 1 1 A 5 5 ALA H H 26 7.060 7.556 -0.496 1
1 28 . 24 1 1 A 5 5 ALA N N 26 120.430 122.082 -1.652 1
1 29 . 24 1 1 A 5 5 ALA HA H 26 3.910 3.954 -0.044 1
1 33 . 24 1 1 A 6 6 VAL H H 27 7.550 7.980 -0.430 1
1 34 . 24 1 1 A 6 6 VAL N N 27 118.870 118.317 0.553 1
1 35 . 24 1 1 A 6 6 VAL HA H 27 3.570 3.527 0.043 1
1 43 . 24 1 1 A 7 7 VAL H H 28 8.090 8.028 0.062 1
1 44 . 24 1 1 A 7 7 VAL N N 28 120.550 119.441 1.109 1
1 45 . 24 1 1 A 7 7 VAL HA H 28 4.010 3.469 0.541 1
1 53 . 24 1 1 A 8 8 GLN H H 29 7.830 8.297 -0.467 1
1 54 . 24 1 1 A 8 8 GLN N N 29 117.070 118.275 -1.205 1
1 55 . 24 1 1 A 8 8 GLN HA H 29 3.860 4.116 -0.256 1
1 63 . 24 1 1 A 9 9 GLN H H 30 7.640 8.022 -0.382 1
1 64 . 24 1 1 A 9 9 GLN N N 30 115.630 118.390 -2.760 1
1 65 . 24 1 1 A 9 9 GLN HA H 30 4.210 4.641 -0.431 1
1 73 . 24 1 1 A 10 10 LYS H H 31 8.760 7.890 0.870 1
1 74 . 24 1 1 A 10 10 LYS N N 31 113.830 118.257 -4.427 1
1 75 . 24 1 1 A 10 10 LYS HA H 31 4.860 4.456 0.404 1
1 83 . 24 1 1 A 11 11 CYS H H 32 8.770 8.386 0.384 1
1 84 . 24 1 1 A 11 11 CYS N N 32 114.980 117.122 -2.142 1
1 85 . 24 1 1 A 11 11 CYS HA H 32 6.040 4.542 1.498 1
1 88 . 24 1 1 A 12 12 ILE H H 33 6.960 8.087 -1.127 1
1 89 . 24 1 1 A 12 12 ILE N N 33 110.470 119.863 -9.393 1
1 90 . 24 1 1 A 12 12 ILE HA H 33 3.200 3.932 -0.732 1
1 97 . 24 1 1 A 13 13 SER H H 34 8.520 8.245 0.275 1
1 98 . 24 1 1 A 13 13 SER N N 34 119.350 116.691 2.659 1
1 99 . 24 1 1 A 13 13 SER HA H 34 3.870 4.024 -0.154 1
1 102 . 24 1 1 A 14 14 CYS H H 35 6.100 7.938 -1.838 1
1 103 . 24 1 1 A 14 14 CYS N N 35 114.670 117.755 -3.085 1
1 104 . 24 1 1 A 14 14 CYS HA H 35 4.370 4.532 -0.162 1
1 107 . 24 1 1 A 15 15 HIS H H 36 6.120 8.217 -2.097 1
1 108 . 24 1 1 A 15 15 HIS N N 36 112.870 116.516 -3.646 1
1 109 . 24 1 1 A 15 15 HIS HA H 36 2.580 4.524 -1.944 1
1 116 . 24 1 1 A 16 16 GLY H H 37 7.080 8.147 -1.067 1
1 117 . 24 1 1 A 16 16 GLY N N 37 106.750 107.797 -1.047 1
1 118 . 24 1 1 A 16 16 GLY HA2 H 37 3.200 3.996 -0.796 1
1 119 . 24 1 1 A 16 16 GLY HA3 H 37 3.920 4.005 -0.085 1
1 120 . 24 1 1 A 17 17 GLY H H 38 8.310 8.856 -0.546 1
1 121 . 24 1 1 A 17 17 GLY N N 38 108.070 110.561 -2.491 1
1 122 . 24 1 1 A 17 17 GLY HA2 H 38 3.440 3.893 -0.453 1
1 123 . 24 1 1 A 17 17 GLY HA3 H 38 3.670 3.900 -0.230 1
1 124 . 24 1 1 A 18 18 ASP H H 39 7.420 7.772 -0.352 1
1 125 . 24 1 1 A 18 18 ASP N N 39 115.870 120.877 -5.007 1
1 126 . 24 1 1 A 18 18 ASP HA H 39 4.460 4.766 -0.306 1
1 129 . 24 1 1 A 19 19 LEU H H 40 7.460 8.237 -0.777 1
1 130 . 24 1 1 A 19 19 LEU N N 40 109.030 116.497 -7.467 1
1 131 . 24 1 1 A 19 19 LEU HA H 40 3.150 4.158 -1.008 1
1 141 . 24 1 1 A 20 20 THR H H 41 7.390 8.184 -0.794 1
1 142 . 24 1 1 A 20 20 THR N N 41 105.670 111.038 -5.368 1
1 143 . 24 1 1 A 20 20 THR HA H 41 3.950 4.327 -0.377 1
1 148 . 24 1 1 A 21 21 GLY H H 42 7.610 8.182 -0.572 1
1 149 . 24 1 1 A 21 21 GLY N N 42 111.310 110.303 1.007 1
1 150 . 24 1 1 A 21 21 GLY HA2 H 42 2.600 4.077 -1.477 1
1 151 . 24 1 1 A 21 21 GLY HA3 H 42 3.980 4.115 -0.135 1
1 152 . 24 1 1 A 22 22 ALA H H 43 7.480 8.145 -0.665 1
1 153 . 24 1 1 A 22 22 ALA N N 43 125.590 123.138 2.452 1
1 154 . 24 1 1 A 22 22 ALA HA H 43 3.980 4.213 -0.233 1
1 158 . 24 1 1 A 23 23 SER H H 44 7.760 8.307 -0.547 1
1 159 . 24 1 1 A 23 23 SER N N 44 118.630 111.324 7.306 1
1 160 . 24 1 1 A 23 23 SER HA H 44 4.080 4.493 -0.413 1
1 163 . 24 1 1 A 24 24 ALA H H 45 7.300 7.605 -0.305 1
1 164 . 24 1 1 A 24 24 ALA N N 45 125.110 121.273 3.837 1
1 165 . 24 1 1 A 24 24 ALA HA H 45 4.170 4.814 -0.644 1
1 169 . 24 1 1 A 25 25 PRO HA H 46 3.910 4.643 -0.733 1
1 176 . 24 1 1 A 26 26 ALA H H 47 7.920 8.403 -0.483 1
1 177 . 24 1 1 A 26 26 ALA N N 47 120.310 124.774 -4.464 1
1 178 . 24 1 1 A 26 26 ALA HA H 47 3.370 4.535 -1.165 1
1 182 . 24 1 1 A 27 27 ILE H H 48 7.770 8.442 -0.672 1
1 183 . 24 1 1 A 27 27 ILE N N 48 112.150 119.042 -6.892 1
1 184 . 24 1 1 A 27 27 ILE HA H 48 4.170 4.373 -0.203 1
1 194 . 24 1 1 A 28 28 ASP H H 49 8.250 8.524 -0.274 1
1 195 . 24 1 1 A 28 28 ASP N N 49 119.980 124.426 -4.446 1
1 196 . 24 1 1 A 28 28 ASP HA H 49 3.600 4.286 -0.686 1
1 199 . 24 1 1 A 29 29 LYS H H 50 7.720 7.706 0.014 1
1 200 . 24 1 1 A 29 29 LYS N N 50 117.430 117.348 0.082 1
1 201 . 24 1 1 A 29 29 LYS HA H 50 4.220 4.377 -0.157 1
1 209 . 24 1 1 A 30 30 ALA H H 51 7.130 8.212 -1.082 1
1 210 . 24 1 1 A 30 30 ALA N N 51 121.030 122.965 -1.935 1
1 211 . 24 1 1 A 30 30 ALA HA H 51 4.240 3.956 0.284 1
1 215 . 24 1 1 A 31 31 GLY H H 52 8.290 8.289 0.001 1
1 216 . 24 1 1 A 31 31 GLY N N 52 103.990 105.698 -1.708 1
1 217 . 24 1 1 A 31 31 GLY HA2 H 52 3.670 3.756 -0.086 1
1 218 . 24 1 1 A 31 31 GLY HA3 H 52 4.370 3.806 0.564 1
1 219 . 24 1 1 A 32 32 ALA H H 53 7.970 8.169 -0.199 1
1 220 . 24 1 1 A 32 32 ALA N N 53 120.670 124.674 -4.004 1
1 221 . 24 1 1 A 32 32 ALA HA H 53 4.160 3.927 0.233 1
1 225 . 24 1 1 A 33 33 ASN H H 54 7.490 7.441 0.049 1
1 226 . 24 1 1 A 33 33 ASN N N 54 113.350 113.923 -0.573 1
1 227 . 24 1 1 A 33 33 ASN HA H 54 4.590 4.464 0.126 1
1 233 . 24 1 1 A 34 34 TYR H H 55 8.070 7.908 0.162 1
1 234 . 24 1 1 A 34 34 TYR N N 55 118.270 115.806 2.464 1
1 235 . 24 1 1 A 34 34 TYR HA H 55 5.020 5.210 -0.190 1
1 240 . 24 1 1 A 35 35 SER H H 56 9.110 9.049 0.061 1
1 241 . 24 1 1 A 35 35 SER N N 56 114.910 119.768 -4.858 1
1 242 . 24 1 1 A 35 35 SER HA H 56 4.560 4.655 -0.095 1
1 245 . 24 1 1 A 36 36 GLU H H 57 9.020 9.102 -0.082 1
1 246 . 24 1 1 A 36 36 GLU N N 57 121.630 123.006 -1.376 1
1 247 . 24 1 1 A 36 36 GLU HA H 57 3.670 4.054 -0.384 1
1 251 . 24 1 1 A 37 37 GLU H H 58 8.680 8.298 0.382 1
1 252 . 24 1 1 A 37 37 GLU N N 58 116.230 119.616 -3.386 1
1 253 . 24 1 1 A 37 37 GLU HA H 58 3.810 4.106 -0.296 1
1 258 . 24 1 1 A 38 38 GLU H H 59 7.710 8.451 -0.741 1
1 259 . 24 1 1 A 38 38 GLU N N 59 120.070 119.997 0.073 1
1 260 . 24 1 1 A 38 38 GLU HA H 59 3.940 3.944 -0.004 1
1 265 . 24 1 1 A 39 39 ILE H H 60 8.370 7.851 0.519 1
1 266 . 24 1 1 A 39 39 ILE N N 60 119.710 120.760 -1.050 1
1 267 . 24 1 1 A 39 39 ILE HA H 60 3.360 3.670 -0.310 1
1 276 . 24 1 1 A 40 40 LEU H H 61 8.380 8.481 -0.101 1
1 277 . 24 1 1 A 40 40 LEU N N 61 119.710 121.397 -1.687 1
1 278 . 24 1 1 A 40 40 LEU HA H 61 3.690 3.981 -0.291 1
1 288 . 24 1 1 A 41 41 ASP H H 62 7.410 8.586 -1.176 1
1 289 . 24 1 1 A 41 41 ASP N N 62 116.590 117.848 -1.258 1
1 290 . 24 1 1 A 41 41 ASP HA H 62 4.010 4.489 -0.479 1
1 293 . 24 1 1 A 42 42 ILE H H 63 7.240 8.245 -1.005 1
1 294 . 24 1 1 A 42 42 ILE N N 63 120.430 119.589 0.841 1
1 295 . 24 1 1 A 42 42 ILE HA H 63 2.540 3.649 -1.109 1
1 305 . 24 1 1 A 43 43 ILE H H 64 7.550 8.598 -1.048 1
1 306 . 24 1 1 A 43 43 ILE N N 64 116.230 121.588 -5.358 1
1 307 . 24 1 1 A 43 43 ILE HA H 64 2.250 3.537 -1.287 1
1 317 . 24 1 1 A 44 44 LEU H H 65 8.560 8.495 0.065 1
1 318 . 24 1 1 A 44 44 LEU N N 65 115.630 118.243 -2.613 1
1 319 . 24 1 1 A 44 44 LEU HA H 65 3.700 3.956 -0.256 1
1 329 . 24 1 1 A 45 45 ASN H H 66 8.200 8.395 -0.195 1
1 330 . 24 1 1 A 45 45 ASN N N 66 112.510 114.220 -1.710 1
1 331 . 24 1 1 A 45 45 ASN HA H 66 4.460 4.621 -0.161 1
1 337 . 24 1 1 A 46 46 GLY H H 67 7.480 8.091 -0.611 1
1 338 . 24 1 1 A 46 46 GLY N N 67 111.910 105.232 6.678 1
1 339 . 24 1 1 A 46 46 GLY HA2 H 67 2.060 4.031 -1.971 1
1 340 . 24 1 1 A 46 46 GLY HA3 H 67 3.210 4.040 -0.830 1
1 341 . 24 1 1 A 47 47 GLN H H 68 6.470 8.534 -2.064 1
1 342 . 24 1 1 A 47 47 GLN N N 68 114.550 123.669 -9.119 1
1 343 . 24 1 1 A 47 47 GLN HA H 68 3.730 4.271 -0.541 1
1 351 . 24 1 1 A 48 48 GLY H H 69 8.680 8.584 0.096 1
1 352 . 24 1 1 A 48 48 GLY N N 69 115.150 111.769 3.381 1
1 353 . 24 1 1 A 48 48 GLY HA2 H 69 3.440 3.791 -0.351 1
1 354 . 24 1 1 A 48 48 GLY HA3 H 69 3.740 3.792 -0.052 1
1 355 . 24 1 1 A 49 49 GLY H H 70 9.620 8.365 1.255 1
1 356 . 24 1 1 A 49 49 GLY N N 70 114.790 113.726 1.064 1
1 357 . 24 1 1 A 49 49 GLY HA2 H 70 3.850 4.072 -0.222 1
1 358 . 24 1 1 A 49 49 GLY HA3 H 70 3.980 4.073 -0.093 1
1 359 . 24 1 1 A 50 50 MET H H 71 8.100 8.240 -0.140 1
1 360 . 24 1 1 A 50 50 MET N N 71 125.230 121.483 3.747 1
1 361 . 24 1 1 A 50 50 MET HA H 71 3.060 4.843 -1.783 1
1 369 . 24 1 1 A 51 51 PRO HA H 72 3.740 4.677 -0.937 1
1 373 . 24 1 1 A 52 52 GLY H H 73 7.670 8.555 -0.885 1
1 374 . 24 1 1 A 52 52 GLY N N 73 103.400 108.799 -5.399 1
1 375 . 24 1 1 A 52 52 GLY HA2 H 73 2.660 4.033 -1.373 1
1 376 . 24 1 1 A 52 52 GLY HA3 H 73 3.060 4.041 -0.981 1
1 377 . 24 1 1 A 53 53 GLY H H 74 7.530 9.104 -1.574 1
1 378 . 24 1 1 A 53 53 GLY N N 74 106.030 108.180 -2.150 1
1 379 . 24 1 1 A 53 53 GLY HA2 H 74 3.370 3.951 -0.581 1
1 380 . 24 1 1 A 53 53 GLY HA3 H 74 3.560 3.952 -0.392 1
1 381 . 24 1 1 A 54 54 ILE H H 75 9.500 8.107 1.393 1
1 382 . 24 1 1 A 54 54 ILE N N 75 124.150 119.702 4.448 1
1 383 . 24 1 1 A 54 54 ILE HA H 75 3.370 3.892 -0.522 1
1 393 . 24 1 1 A 55 55 ALA H H 76 6.620 7.547 -0.927 1
1 394 . 24 1 1 A 55 55 ALA N N 76 113.950 120.403 -6.453 1
1 395 . 24 1 1 A 55 55 ALA HA H 76 4.420 4.799 -0.379 1
1 399 . 24 1 1 A 56 56 LYS H H 77 8.420 8.928 -0.508 1
1 400 . 24 1 1 A 56 56 LYS N N 77 114.790 119.717 -4.927 1
1 401 . 24 1 1 A 56 56 LYS HA H 77 4.320 4.840 -0.520 1
1 407 . 24 1 1 A 57 57 GLY H H 78 8.420 8.758 -0.338 1
1 408 . 24 1 1 A 57 57 GLY N N 78 107.590 110.075 -2.485 1
1 409 . 24 1 1 A 57 57 GLY HA2 H 78 3.640 3.919 -0.279 1
1 410 . 24 1 1 A 57 57 GLY HA3 H 78 3.740 3.921 -0.181 1
1 411 . 24 1 1 A 58 58 ALA H H 79 8.690 8.705 -0.015 1
1 412 . 24 1 1 A 58 58 ALA N N 79 127.150 128.345 -1.195 1
1 413 . 24 1 1 A 58 58 ALA HA H 79 4.040 4.043 -0.003 1
1 417 . 24 1 1 A 59 59 GLU H H 80 8.200 8.137 0.063 1
1 418 . 24 1 1 A 59 59 GLU N N 80 117.910 118.008 -0.098 1
1 419 . 24 1 1 A 59 59 GLU HA H 80 3.890 3.999 -0.109 1
1 424 . 24 1 1 A 60 60 ALA H H 81 6.820 7.885 -1.065 1
1 425 . 24 1 1 A 60 60 ALA N N 81 120.190 120.793 -0.603 1
1 426 . 24 1 1 A 60 60 ALA HA H 81 3.520 4.115 -0.595 1
1 430 . 24 1 1 A 61 61 GLU H H 82 7.940 8.423 -0.483 1
1 431 . 24 1 1 A 61 61 GLU N N 82 114.910 118.523 -3.613 1
1 432 . 24 1 1 A 61 61 GLU HA H 82 3.730 4.045 -0.315 1
1 437 . 24 1 1 A 62 62 ALA H H 83 7.910 8.177 -0.267 1
1 438 . 24 1 1 A 62 62 ALA N N 83 120.670 122.331 -1.661 1
1 439 . 24 1 1 A 62 62 ALA HA H 83 4.190 4.119 0.071 1
1 443 . 24 1 1 A 63 63 VAL H H 84 8.130 8.114 0.016 1
1 444 . 24 1 1 A 63 63 VAL N N 84 119.230 118.215 1.015 1
1 445 . 24 1 1 A 63 63 VAL HA H 84 3.610 3.747 -0.137 1
1 453 . 24 1 1 A 64 64 ALA H H 85 8.600 8.846 -0.246 1
1 454 . 24 1 1 A 64 64 ALA N N 85 121.750 121.798 -0.048 1
1 455 . 24 1 1 A 64 64 ALA HA H 85 4.080 4.010 0.070 1
1 459 . 24 1 1 A 65 65 ALA H H 86 7.690 8.066 -0.376 1
1 460 . 24 1 1 A 65 65 ALA N N 86 117.310 119.146 -1.836 1
1 461 . 24 1 1 A 65 65 ALA HA H 86 3.860 4.045 -0.185 1
1 465 . 24 1 1 A 66 66 TRP H H 87 7.810 8.253 -0.443 1
1 466 . 24 1 1 A 66 66 TRP N N 87 119.230 120.858 -1.628 1
1 467 . 24 1 1 A 66 66 TRP HA H 87 4.180 4.297 -0.117 1
1 476 . 24 1 1 A 67 67 LEU H H 88 9.070 9.162 -0.092 1
1 477 . 24 1 1 A 67 67 LEU N N 88 118.630 120.197 -1.567 1
1 478 . 24 1 1 A 67 67 LEU HA H 88 3.760 3.189 0.571 1
1 488 . 24 1 1 A 68 68 ALA H H 89 8.100 8.425 -0.325 1
1 489 . 24 1 1 A 68 68 ALA N N 89 118.030 120.866 -2.836 1
1 490 . 24 1 1 A 68 68 ALA HA H 89 3.780 3.927 -0.147 1
1 494 . 24 1 1 A 69 69 GLU H H 90 6.710 8.144 -1.434 1
1 495 . 24 1 1 A 69 69 GLU N N 90 111.670 118.614 -6.944 1
1 496 . 24 1 1 A 69 69 GLU HA H 90 4.090 4.031 0.059 1
1 501 . 24 1 1 A 70 70 LYS H H 91 7.460 7.514 -0.054 1
1 502 . 24 1 1 A 70 70 LYS N N 91 122.830 118.389 4.441 1
1 503 . 24 1 1 A 70 70 LYS HA H 91 3.980 3.983 -0.003 1
1 9 . 25 1 1 A 2 2 ASP H H 23 8.490 8.843 -0.353 1
1 10 . 25 1 1 A 2 2 ASP N N 23 126.550 128.527 -1.977 1
1 11 . 25 1 1 A 2 2 ASP HA H 23 4.480 4.571 -0.091 1
1 14 . 25 1 1 A 3 3 ALA H H 24 8.280 8.656 -0.376 1
1 15 . 25 1 1 A 3 3 ALA N N 24 126.910 128.047 -1.137 1
1 16 . 25 1 1 A 3 3 ALA HA H 24 3.420 3.829 -0.409 1
1 20 . 25 1 1 A 4 4 GLU H H 25 7.590 7.593 -0.003 1
1 21 . 25 1 1 A 4 4 GLU N N 25 115.030 115.769 -0.739 1
1 22 . 25 1 1 A 4 4 GLU HA H 25 2.600 2.656 -0.056 1
1 27 . 25 1 1 A 5 5 ALA H H 26 7.060 7.672 -0.612 1
1 28 . 25 1 1 A 5 5 ALA N N 26 120.430 122.038 -1.608 1
1 29 . 25 1 1 A 5 5 ALA HA H 26 3.910 3.963 -0.053 1
1 33 . 25 1 1 A 6 6 VAL H H 27 7.550 8.116 -0.566 1
1 34 . 25 1 1 A 6 6 VAL N N 27 118.870 118.163 0.707 1
1 35 . 25 1 1 A 6 6 VAL HA H 27 3.570 3.538 0.032 1
1 43 . 25 1 1 A 7 7 VAL H H 28 8.090 7.924 0.166 1
1 44 . 25 1 1 A 7 7 VAL N N 28 120.550 119.468 1.082 1
1 45 . 25 1 1 A 7 7 VAL HA H 28 4.010 3.729 0.281 1
1 53 . 25 1 1 A 8 8 GLN H H 29 7.830 8.364 -0.534 1
1 54 . 25 1 1 A 8 8 GLN N N 29 117.070 118.495 -1.425 1
1 55 . 25 1 1 A 8 8 GLN HA H 29 3.860 4.228 -0.368 1
1 63 . 25 1 1 A 9 9 GLN H H 30 7.640 8.224 -0.584 1
1 64 . 25 1 1 A 9 9 GLN N N 30 115.630 119.488 -3.858 1
1 65 . 25 1 1 A 9 9 GLN HA H 30 4.210 4.580 -0.370 1
1 73 . 25 1 1 A 10 10 LYS H H 31 8.760 8.449 0.311 1
1 74 . 25 1 1 A 10 10 LYS N N 31 113.830 117.756 -3.926 1
1 75 . 25 1 1 A 10 10 LYS HA H 31 4.860 4.448 0.412 1
1 83 . 25 1 1 A 11 11 CYS H H 32 8.770 8.455 0.315 1
1 84 . 25 1 1 A 11 11 CYS N N 32 114.980 115.669 -0.689 1
1 85 . 25 1 1 A 11 11 CYS HA H 32 6.040 4.663 1.377 1
1 88 . 25 1 1 A 12 12 ILE H H 33 6.960 8.191 -1.231 1
1 89 . 25 1 1 A 12 12 ILE N N 33 110.470 120.020 -9.550 1
1 90 . 25 1 1 A 12 12 ILE HA H 33 3.200 3.956 -0.756 1
1 97 . 25 1 1 A 13 13 SER H H 34 8.520 8.219 0.301 1
1 98 . 25 1 1 A 13 13 SER N N 34 119.350 116.892 2.458 1
1 99 . 25 1 1 A 13 13 SER HA H 34 3.870 4.085 -0.215 1
1 102 . 25 1 1 A 14 14 CYS H H 35 6.100 8.204 -2.104 1
1 103 . 25 1 1 A 14 14 CYS N N 35 114.670 117.650 -2.980 1
1 104 . 25 1 1 A 14 14 CYS HA H 35 4.370 4.568 -0.198 1
1 107 . 25 1 1 A 15 15 HIS H H 36 6.120 8.304 -2.184 1
1 108 . 25 1 1 A 15 15 HIS N N 36 112.870 117.729 -4.859 1
1 109 . 25 1 1 A 15 15 HIS HA H 36 2.580 4.450 -1.870 1
1 116 . 25 1 1 A 16 16 GLY H H 37 7.080 8.256 -1.176 1
1 117 . 25 1 1 A 16 16 GLY N N 37 106.750 106.653 0.097 1
1 118 . 25 1 1 A 16 16 GLY HA2 H 37 3.200 3.959 -0.759 1
1 119 . 25 1 1 A 16 16 GLY HA3 H 37 3.920 3.972 -0.052 1
1 120 . 25 1 1 A 17 17 GLY H H 38 8.310 8.522 -0.212 1
1 121 . 25 1 1 A 17 17 GLY N N 38 108.070 110.726 -2.656 1
1 122 . 25 1 1 A 17 17 GLY HA2 H 38 3.440 4.061 -0.621 1
1 123 . 25 1 1 A 17 17 GLY HA3 H 38 3.670 4.066 -0.396 1
1 124 . 25 1 1 A 18 18 ASP H H 39 7.420 8.122 -0.702 1
1 125 . 25 1 1 A 18 18 ASP N N 39 115.870 121.213 -5.343 1
1 126 . 25 1 1 A 18 18 ASP HA H 39 4.460 4.780 -0.320 1
1 129 . 25 1 1 A 19 19 LEU H H 40 7.460 7.982 -0.522 1
1 130 . 25 1 1 A 19 19 LEU N N 40 109.030 116.279 -7.249 1
1 131 . 25 1 1 A 19 19 LEU HA H 40 3.150 4.131 -0.981 1
1 141 . 25 1 1 A 20 20 THR H H 41 7.390 8.211 -0.821 1
1 142 . 25 1 1 A 20 20 THR N N 41 105.670 111.488 -5.818 1
1 143 . 25 1 1 A 20 20 THR HA H 41 3.950 4.316 -0.366 1
1 148 . 25 1 1 A 21 21 GLY H H 42 7.610 8.078 -0.468 1
1 149 . 25 1 1 A 21 21 GLY N N 42 111.310 110.193 1.117 1
1 150 . 25 1 1 A 21 21 GLY HA2 H 42 2.600 4.063 -1.463 1
1 151 . 25 1 1 A 21 21 GLY HA3 H 42 3.980 4.106 -0.126 1
1 152 . 25 1 1 A 22 22 ALA H H 43 7.480 8.331 -0.851 1
1 153 . 25 1 1 A 22 22 ALA N N 43 125.590 123.983 1.607 1
1 154 . 25 1 1 A 22 22 ALA HA H 43 3.980 4.467 -0.487 1
1 158 . 25 1 1 A 23 23 SER H H 44 7.760 8.305 -0.545 1
1 159 . 25 1 1 A 23 23 SER N N 44 118.630 112.247 6.383 1
1 160 . 25 1 1 A 23 23 SER HA H 44 4.080 4.449 -0.369 1
1 163 . 25 1 1 A 24 24 ALA H H 45 7.300 7.574 -0.274 1
1 164 . 25 1 1 A 24 24 ALA N N 45 125.110 121.542 3.568 1
1 165 . 25 1 1 A 24 24 ALA HA H 45 4.170 4.710 -0.540 1
1 169 . 25 1 1 A 25 25 PRO HA H 46 3.910 4.627 -0.717 1
1 176 . 25 1 1 A 26 26 ALA H H 47 7.920 8.381 -0.461 1
1 177 . 25 1 1 A 26 26 ALA N N 47 120.310 124.779 -4.469 1
1 178 . 25 1 1 A 26 26 ALA HA H 47 3.370 4.535 -1.165 1
1 182 . 25 1 1 A 27 27 ILE H H 48 7.770 8.632 -0.862 1
1 183 . 25 1 1 A 27 27 ILE N N 48 112.150 118.936 -6.786 1
1 184 . 25 1 1 A 27 27 ILE HA H 48 4.170 4.562 -0.392 1
1 194 . 25 1 1 A 28 28 ASP H H 49 8.250 8.208 0.042 1
1 195 . 25 1 1 A 28 28 ASP N N 49 119.980 123.186 -3.206 1
1 196 . 25 1 1 A 28 28 ASP HA H 49 3.600 4.143 -0.543 1
1 199 . 25 1 1 A 29 29 LYS H H 50 7.720 7.811 -0.091 1
1 200 . 25 1 1 A 29 29 LYS N N 50 117.430 117.371 0.059 1
1 201 . 25 1 1 A 29 29 LYS HA H 50 4.220 4.260 -0.040 1
1 209 . 25 1 1 A 30 30 ALA H H 51 7.130 8.193 -1.063 1
1 210 . 25 1 1 A 30 30 ALA N N 51 121.030 122.865 -1.835 1
1 211 . 25 1 1 A 30 30 ALA HA H 51 4.240 3.928 0.312 1
1 215 . 25 1 1 A 31 31 GLY H H 52 8.290 8.312 -0.022 1
1 216 . 25 1 1 A 31 31 GLY N N 52 103.990 105.346 -1.356 1
1 217 . 25 1 1 A 31 31 GLY HA2 H 52 3.670 3.732 -0.062 1
1 218 . 25 1 1 A 31 31 GLY HA3 H 52 4.370 3.783 0.587 1
1 219 . 25 1 1 A 32 32 ALA H H 53 7.970 8.071 -0.101 1
1 220 . 25 1 1 A 32 32 ALA N N 53 120.670 124.667 -3.997 1
1 221 . 25 1 1 A 32 32 ALA HA H 53 4.160 3.933 0.227 1
1 225 . 25 1 1 A 33 33 ASN H H 54 7.490 7.948 -0.458 1
1 226 . 25 1 1 A 33 33 ASN N N 54 113.350 114.289 -0.939 1
1 227 . 25 1 1 A 33 33 ASN HA H 54 4.590 4.511 0.079 1
1 233 . 25 1 1 A 34 34 TYR H H 55 8.070 7.931 0.139 1
1 234 . 25 1 1 A 34 34 TYR N N 55 118.270 115.472 2.798 1
1 235 . 25 1 1 A 34 34 TYR HA H 55 5.020 5.156 -0.136 1
1 240 . 25 1 1 A 35 35 SER H H 56 9.110 8.922 0.188 1
1 241 . 25 1 1 A 35 35 SER N N 56 114.910 117.894 -2.984 1
1 242 . 25 1 1 A 35 35 SER HA H 56 4.560 4.780 -0.220 1
1 245 . 25 1 1 A 36 36 GLU H H 57 9.020 9.112 -0.092 1
1 246 . 25 1 1 A 36 36 GLU N N 57 121.630 123.110 -1.480 1
1 247 . 25 1 1 A 36 36 GLU HA H 57 3.670 4.028 -0.358 1
1 251 . 25 1 1 A 37 37 GLU H H 58 8.680 8.364 0.316 1
1 252 . 25 1 1 A 37 37 GLU N N 58 116.230 119.277 -3.047 1
1 253 . 25 1 1 A 37 37 GLU HA H 58 3.810 4.101 -0.291 1
1 258 . 25 1 1 A 38 38 GLU H H 59 7.710 7.850 -0.140 1
1 259 . 25 1 1 A 38 38 GLU N N 59 120.070 119.648 0.422 1
1 260 . 25 1 1 A 38 38 GLU HA H 59 3.940 4.001 -0.061 1
1 265 . 25 1 1 A 39 39 ILE H H 60 8.370 7.927 0.443 1
1 266 . 25 1 1 A 39 39 ILE N N 60 119.710 120.883 -1.173 1
1 267 . 25 1 1 A 39 39 ILE HA H 60 3.360 3.659 -0.299 1
1 276 . 25 1 1 A 40 40 LEU H H 61 8.380 8.507 -0.127 1
1 277 . 25 1 1 A 40 40 LEU N N 61 119.710 121.260 -1.550 1
1 278 . 25 1 1 A 40 40 LEU HA H 61 3.690 3.980 -0.290 1
1 288 . 25 1 1 A 41 41 ASP H H 62 7.410 8.307 -0.897 1
1 289 . 25 1 1 A 41 41 ASP N N 62 116.590 118.307 -1.717 1
1 290 . 25 1 1 A 41 41 ASP HA H 62 4.010 4.277 -0.267 1
1 293 . 25 1 1 A 42 42 ILE H H 63 7.240 8.217 -0.977 1
1 294 . 25 1 1 A 42 42 ILE N N 63 120.430 118.140 2.290 1
1 295 . 25 1 1 A 42 42 ILE HA H 63 2.540 3.662 -1.122 1
1 305 . 25 1 1 A 43 43 ILE H H 64 7.550 8.577 -1.027 1
1 306 . 25 1 1 A 43 43 ILE N N 64 116.230 120.872 -4.642 1
1 307 . 25 1 1 A 43 43 ILE HA H 64 2.250 3.551 -1.301 1
1 317 . 25 1 1 A 44 44 LEU H H 65 8.560 8.491 0.069 1
1 318 . 25 1 1 A 44 44 LEU N N 65 115.630 118.544 -2.914 1
1 319 . 25 1 1 A 44 44 LEU HA H 65 3.700 4.083 -0.383 1
1 329 . 25 1 1 A 45 45 ASN H H 66 8.200 8.569 -0.369 1
1 330 . 25 1 1 A 45 45 ASN N N 66 112.510 115.495 -2.985 1
1 331 . 25 1 1 A 45 45 ASN HA H 66 4.460 4.781 -0.321 1
1 337 . 25 1 1 A 46 46 GLY H H 67 7.480 7.768 -0.288 1
1 338 . 25 1 1 A 46 46 GLY N N 67 111.910 103.612 8.298 1
1 339 . 25 1 1 A 46 46 GLY HA2 H 67 2.060 4.110 -2.050 1
1 340 . 25 1 1 A 46 46 GLY HA3 H 67 3.210 4.120 -0.910 1
1 341 . 25 1 1 A 47 47 GLN H H 68 6.470 8.118 -1.648 1
1 342 . 25 1 1 A 47 47 GLN N N 68 114.550 119.539 -4.989 1
1 343 . 25 1 1 A 47 47 GLN HA H 68 3.730 4.763 -1.033 1
1 351 . 25 1 1 A 48 48 GLY H H 69 8.680 8.761 -0.081 1
1 352 . 25 1 1 A 48 48 GLY N N 69 115.150 112.562 2.588 1
1 353 . 25 1 1 A 48 48 GLY HA2 H 69 3.440 3.742 -0.302 1
1 354 . 25 1 1 A 48 48 GLY HA3 H 69 3.740 3.745 -0.005 1
1 355 . 25 1 1 A 49 49 GLY H H 70 9.620 8.419 1.201 1
1 356 . 25 1 1 A 49 49 GLY N N 70 114.790 111.571 3.219 1
1 357 . 25 1 1 A 49 49 GLY HA2 H 70 3.850 3.949 -0.099 1
1 358 . 25 1 1 A 49 49 GLY HA3 H 70 3.980 3.954 0.026 1
1 359 . 25 1 1 A 50 50 MET H H 71 8.100 8.346 -0.246 1
1 360 . 25 1 1 A 50 50 MET N N 71 125.230 121.264 3.966 1
1 361 . 25 1 1 A 50 50 MET HA H 71 3.060 4.753 -1.693 1
1 369 . 25 1 1 A 51 51 PRO HA H 72 3.740 4.393 -0.653 1
1 373 . 25 1 1 A 52 52 GLY H H 73 7.670 8.328 -0.658 1
1 374 . 25 1 1 A 52 52 GLY N N 73 103.400 109.137 -5.737 1
1 375 . 25 1 1 A 52 52 GLY HA2 H 73 2.660 4.046 -1.386 1
1 376 . 25 1 1 A 52 52 GLY HA3 H 73 3.060 4.056 -0.996 1
1 377 . 25 1 1 A 53 53 GLY H H 74 7.530 8.994 -1.464 1
1 378 . 25 1 1 A 53 53 GLY N N 74 106.030 109.368 -3.338 1
1 379 . 25 1 1 A 53 53 GLY HA2 H 74 3.370 3.958 -0.588 1
1 380 . 25 1 1 A 53 53 GLY HA3 H 74 3.560 3.960 -0.400 1
1 381 . 25 1 1 A 54 54 ILE H H 75 9.500 8.094 1.406 1
1 382 . 25 1 1 A 54 54 ILE N N 75 124.150 119.430 4.720 1
1 383 . 25 1 1 A 54 54 ILE HA H 75 3.370 3.893 -0.523 1
1 393 . 25 1 1 A 55 55 ALA H H 76 6.620 7.553 -0.933 1
1 394 . 25 1 1 A 55 55 ALA N N 76 113.950 120.468 -6.518 1
1 395 . 25 1 1 A 55 55 ALA HA H 76 4.420 4.909 -0.489 1
1 399 . 25 1 1 A 56 56 LYS H H 77 8.420 8.621 -0.201 1
1 400 . 25 1 1 A 56 56 LYS N N 77 114.790 120.412 -5.622 1
1 401 . 25 1 1 A 56 56 LYS HA H 77 4.320 4.807 -0.487 1
1 407 . 25 1 1 A 57 57 GLY H H 78 8.420 8.742 -0.322 1
1 408 . 25 1 1 A 57 57 GLY N N 78 107.590 110.075 -2.485 1
1 409 . 25 1 1 A 57 57 GLY HA2 H 78 3.640 3.922 -0.282 1
1 410 . 25 1 1 A 57 57 GLY HA3 H 78 3.740 3.923 -0.183 1
1 411 . 25 1 1 A 58 58 ALA H H 79 8.690 8.726 -0.036 1
1 412 . 25 1 1 A 58 58 ALA N N 79 127.150 128.417 -1.267 1
1 413 . 25 1 1 A 58 58 ALA HA H 79 4.040 4.049 -0.009 1
1 417 . 25 1 1 A 59 59 GLU H H 80 8.200 8.012 0.188 1
1 418 . 25 1 1 A 59 59 GLU N N 80 117.910 118.353 -0.443 1
1 419 . 25 1 1 A 59 59 GLU HA H 80 3.890 3.968 -0.078 1
1 424 . 25 1 1 A 60 60 ALA H H 81 6.820 7.829 -1.009 1
1 425 . 25 1 1 A 60 60 ALA N N 81 120.190 121.075 -0.885 1
1 426 . 25 1 1 A 60 60 ALA HA H 81 3.520 4.072 -0.552 1
1 430 . 25 1 1 A 61 61 GLU H H 82 7.940 8.482 -0.542 1
1 431 . 25 1 1 A 61 61 GLU N N 82 114.910 118.303 -3.393 1
1 432 . 25 1 1 A 61 61 GLU HA H 82 3.730 4.072 -0.342 1
1 437 . 25 1 1 A 62 62 ALA H H 83 7.910 8.350 -0.440 1
1 438 . 25 1 1 A 62 62 ALA N N 83 120.670 122.451 -1.781 1
1 439 . 25 1 1 A 62 62 ALA HA H 83 4.190 4.113 0.077 1
1 443 . 25 1 1 A 63 63 VAL H H 84 8.130 8.379 -0.249 1
1 444 . 25 1 1 A 63 63 VAL N N 84 119.230 118.068 1.162 1
1 445 . 25 1 1 A 63 63 VAL HA H 84 3.610 3.845 -0.235 1
1 453 . 25 1 1 A 64 64 ALA H H 85 8.600 8.863 -0.263 1
1 454 . 25 1 1 A 64 64 ALA N N 85 121.750 121.320 0.430 1
1 455 . 25 1 1 A 64 64 ALA HA H 85 4.080 3.939 0.141 1
1 459 . 25 1 1 A 65 65 ALA H H 86 7.690 8.273 -0.583 1
1 460 . 25 1 1 A 65 65 ALA N N 86 117.310 118.968 -1.658 1
1 461 . 25 1 1 A 65 65 ALA HA H 86 3.860 4.053 -0.193 1
1 465 . 25 1 1 A 66 66 TRP H H 87 7.810 8.388 -0.578 1
1 466 . 25 1 1 A 66 66 TRP N N 87 119.230 120.792 -1.562 1
1 467 . 25 1 1 A 66 66 TRP HA H 87 4.180 4.160 0.020 1
1 476 . 25 1 1 A 67 67 LEU H H 88 9.070 8.494 0.576 1
1 477 . 25 1 1 A 67 67 LEU N N 88 118.630 120.907 -2.277 1
1 478 . 25 1 1 A 67 67 LEU HA H 88 3.760 3.298 0.462 1
1 488 . 25 1 1 A 68 68 ALA H H 89 8.100 8.653 -0.553 1
1 489 . 25 1 1 A 68 68 ALA N N 89 118.030 120.713 -2.683 1
1 490 . 25 1 1 A 68 68 ALA HA H 89 3.780 3.901 -0.121 1
1 494 . 25 1 1 A 69 69 GLU H H 90 6.710 8.035 -1.325 1
1 495 . 25 1 1 A 69 69 GLU N N 90 111.670 117.680 -6.010 1
1 496 . 25 1 1 A 69 69 GLU HA H 90 4.090 4.072 0.018 1
1 501 . 25 1 1 A 70 70 LYS H H 91 7.460 7.467 -0.007 1
1 502 . 25 1 1 A 70 70 LYS N N 91 122.830 120.416 2.414 1
1 503 . 25 1 1 A 70 70 LYS HA H 91 3.980 3.877 0.103 1
1 9 . 26 1 1 A 2 2 ASP H H 23 8.490 8.852 -0.362 1
1 10 . 26 1 1 A 2 2 ASP N N 23 126.550 129.116 -2.566 1
1 11 . 26 1 1 A 2 2 ASP HA H 23 4.480 4.556 -0.076 1
1 14 . 26 1 1 A 3 3 ALA H H 24 8.280 8.457 -0.177 1
1 15 . 26 1 1 A 3 3 ALA N N 24 126.910 127.924 -1.014 1
1 16 . 26 1 1 A 3 3 ALA HA H 24 3.420 3.745 -0.325 1
1 20 . 26 1 1 A 4 4 GLU H H 25 7.590 7.514 0.076 1
1 21 . 26 1 1 A 4 4 GLU N N 25 115.030 115.686 -0.656 1
1 22 . 26 1 1 A 4 4 GLU HA H 25 2.600 2.719 -0.119 1
1 27 . 26 1 1 A 5 5 ALA H H 26 7.060 7.609 -0.549 1
1 28 . 26 1 1 A 5 5 ALA N N 26 120.430 122.251 -1.821 1
1 29 . 26 1 1 A 5 5 ALA HA H 26 3.910 3.934 -0.024 1
1 33 . 26 1 1 A 6 6 VAL H H 27 7.550 7.807 -0.257 1
1 34 . 26 1 1 A 6 6 VAL N N 27 118.870 118.529 0.341 1
1 35 . 26 1 1 A 6 6 VAL HA H 27 3.570 3.570 0.000 1
1 43 . 26 1 1 A 7 7 VAL H H 28 8.090 7.763 0.327 1
1 44 . 26 1 1 A 7 7 VAL N N 28 120.550 119.144 1.406 1
1 45 . 26 1 1 A 7 7 VAL HA H 28 4.010 4.195 -0.185 1
1 53 . 26 1 1 A 8 8 GLN H H 29 7.830 7.905 -0.075 1
1 54 . 26 1 1 A 8 8 GLN N N 29 117.070 119.981 -2.911 1
1 55 . 26 1 1 A 8 8 GLN HA H 29 3.860 4.443 -0.583 1
1 63 . 26 1 1 A 9 9 GLN H H 30 7.640 8.300 -0.660 1
1 64 . 26 1 1 A 9 9 GLN N N 30 115.630 119.465 -3.835 1
1 65 . 26 1 1 A 9 9 GLN HA H 30 4.210 4.700 -0.490 1
1 73 . 26 1 1 A 10 10 LYS H H 31 8.760 8.412 0.348 1
1 74 . 26 1 1 A 10 10 LYS N N 31 113.830 117.686 -3.856 1
1 75 . 26 1 1 A 10 10 LYS HA H 31 4.860 4.309 0.551 1
1 83 . 26 1 1 A 11 11 CYS H H 32 8.770 8.020 0.750 1
1 84 . 26 1 1 A 11 11 CYS N N 32 114.980 116.155 -1.175 1
1 85 . 26 1 1 A 11 11 CYS HA H 32 6.040 4.698 1.342 1
1 88 . 26 1 1 A 12 12 ILE H H 33 6.960 8.127 -1.167 1
1 89 . 26 1 1 A 12 12 ILE N N 33 110.470 120.037 -9.567 1
1 90 . 26 1 1 A 12 12 ILE HA H 33 3.200 3.934 -0.734 1
1 97 . 26 1 1 A 13 13 SER H H 34 8.520 8.062 0.458 1
1 98 . 26 1 1 A 13 13 SER N N 34 119.350 117.620 1.730 1
1 99 . 26 1 1 A 13 13 SER HA H 34 3.870 4.109 -0.239 1
1 102 . 26 1 1 A 14 14 CYS H H 35 6.100 7.910 -1.810 1
1 103 . 26 1 1 A 14 14 CYS N N 35 114.670 116.575 -1.905 1
1 104 . 26 1 1 A 14 14 CYS HA H 35 4.370 4.534 -0.164 1
1 107 . 26 1 1 A 15 15 HIS H H 36 6.120 8.085 -1.965 1
1 108 . 26 1 1 A 15 15 HIS N N 36 112.870 116.274 -3.404 1
1 109 . 26 1 1 A 15 15 HIS HA H 36 2.580 4.582 -2.002 1
1 116 . 26 1 1 A 16 16 GLY H H 37 7.080 8.110 -1.030 1
1 117 . 26 1 1 A 16 16 GLY N N 37 106.750 107.819 -1.069 1
1 118 . 26 1 1 A 16 16 GLY HA2 H 37 3.200 4.004 -0.804 1
1 119 . 26 1 1 A 16 16 GLY HA3 H 37 3.920 4.012 -0.092 1
1 120 . 26 1 1 A 17 17 GLY H H 38 8.310 8.817 -0.507 1
1 121 . 26 1 1 A 17 17 GLY N N 38 108.070 110.366 -2.296 1
1 122 . 26 1 1 A 17 17 GLY HA2 H 38 3.440 3.887 -0.447 1
1 123 . 26 1 1 A 17 17 GLY HA3 H 38 3.670 3.894 -0.224 1
1 124 . 26 1 1 A 18 18 ASP H H 39 7.420 7.766 -0.346 1
1 125 . 26 1 1 A 18 18 ASP N N 39 115.870 121.090 -5.220 1
1 126 . 26 1 1 A 18 18 ASP HA H 39 4.460 4.774 -0.314 1
1 129 . 26 1 1 A 19 19 LEU H H 40 7.460 8.149 -0.689 1
1 130 . 26 1 1 A 19 19 LEU N N 40 109.030 116.456 -7.426 1
1 131 . 26 1 1 A 19 19 LEU HA H 40 3.150 4.174 -1.024 1
1 141 . 26 1 1 A 20 20 THR H H 41 7.390 8.175 -0.785 1
1 142 . 26 1 1 A 20 20 THR N N 41 105.670 110.774 -5.104 1
1 143 . 26 1 1 A 20 20 THR HA H 41 3.950 4.324 -0.374 1
1 148 . 26 1 1 A 21 21 GLY H H 42 7.610 8.304 -0.694 1
1 149 . 26 1 1 A 21 21 GLY N N 42 111.310 110.683 0.627 1
1 150 . 26 1 1 A 21 21 GLY HA2 H 42 2.600 4.124 -1.524 1
1 151 . 26 1 1 A 21 21 GLY HA3 H 42 3.980 4.152 -0.172 1
1 152 . 26 1 1 A 22 22 ALA H H 43 7.480 8.133 -0.653 1
1 153 . 26 1 1 A 22 22 ALA N N 43 125.590 125.535 0.055 1
1 154 . 26 1 1 A 22 22 ALA HA H 43 3.980 4.490 -0.510 1
1 158 . 26 1 1 A 23 23 SER H H 44 7.760 8.280 -0.520 1
1 159 . 26 1 1 A 23 23 SER N N 44 118.630 111.695 6.935 1
1 160 . 26 1 1 A 23 23 SER HA H 44 4.080 4.490 -0.410 1
1 163 . 26 1 1 A 24 24 ALA H H 45 7.300 7.590 -0.290 1
1 164 . 26 1 1 A 24 24 ALA N N 45 125.110 121.542 3.568 1
1 165 . 26 1 1 A 24 24 ALA HA H 45 4.170 4.771 -0.601 1
1 169 . 26 1 1 A 25 25 PRO HA H 46 3.910 4.642 -0.732 1
1 176 . 26 1 1 A 26 26 ALA H H 47 7.920 8.408 -0.488 1
1 177 . 26 1 1 A 26 26 ALA N N 47 120.310 124.514 -4.204 1
1 178 . 26 1 1 A 26 26 ALA HA H 47 3.370 4.497 -1.127 1
1 182 . 26 1 1 A 27 27 ILE H H 48 7.770 8.502 -0.732 1
1 183 . 26 1 1 A 27 27 ILE N N 48 112.150 118.952 -6.802 1
1 184 . 26 1 1 A 27 27 ILE HA H 48 4.170 4.510 -0.340 1
1 194 . 26 1 1 A 28 28 ASP H H 49 8.250 8.351 -0.101 1
1 195 . 26 1 1 A 28 28 ASP N N 49 119.980 124.182 -4.202 1
1 196 . 26 1 1 A 28 28 ASP HA H 49 3.600 4.183 -0.583 1
1 199 . 26 1 1 A 29 29 LYS H H 50 7.720 7.774 -0.054 1
1 200 . 26 1 1 A 29 29 LYS N N 50 117.430 117.118 0.312 1
1 201 . 26 1 1 A 29 29 LYS HA H 50 4.220 4.328 -0.108 1
1 209 . 26 1 1 A 30 30 ALA H H 51 7.130 8.209 -1.079 1
1 210 . 26 1 1 A 30 30 ALA N N 51 121.030 122.926 -1.896 1
1 211 . 26 1 1 A 30 30 ALA HA H 51 4.240 3.975 0.265 1
1 215 . 26 1 1 A 31 31 GLY H H 52 8.290 8.277 0.013 1
1 216 . 26 1 1 A 31 31 GLY N N 52 103.990 105.776 -1.786 1
1 217 . 26 1 1 A 31 31 GLY HA2 H 52 3.670 3.738 -0.068 1
1 218 . 26 1 1 A 31 31 GLY HA3 H 52 4.370 3.786 0.584 1
1 219 . 26 1 1 A 32 32 ALA H H 53 7.970 8.017 -0.047 1
1 220 . 26 1 1 A 32 32 ALA N N 53 120.670 124.702 -4.032 1
1 221 . 26 1 1 A 32 32 ALA HA H 53 4.160 3.915 0.245 1
1 225 . 26 1 1 A 33 33 ASN H H 54 7.490 7.711 -0.221 1
1 226 . 26 1 1 A 33 33 ASN N N 54 113.350 113.981 -0.631 1
1 227 . 26 1 1 A 33 33 ASN HA H 54 4.590 4.368 0.222 1
1 233 . 26 1 1 A 34 34 TYR H H 55 8.070 7.750 0.320 1
1 234 . 26 1 1 A 34 34 TYR N N 55 118.270 115.923 2.347 1
1 235 . 26 1 1 A 34 34 TYR HA H 55 5.020 5.189 -0.169 1
1 240 . 26 1 1 A 35 35 SER H H 56 9.110 9.471 -0.361 1
1 241 . 26 1 1 A 35 35 SER N N 56 114.910 117.712 -2.802 1
1 242 . 26 1 1 A 35 35 SER HA H 56 4.560 4.665 -0.105 1
1 245 . 26 1 1 A 36 36 GLU H H 57 9.020 9.061 -0.041 1
1 246 . 26 1 1 A 36 36 GLU N N 57 121.630 124.272 -2.642 1
1 247 . 26 1 1 A 36 36 GLU HA H 57 3.670 4.040 -0.370 1
1 251 . 26 1 1 A 37 37 GLU H H 58 8.680 8.451 0.229 1
1 252 . 26 1 1 A 37 37 GLU N N 58 116.230 119.544 -3.314 1
1 253 . 26 1 1 A 37 37 GLU HA H 58 3.810 4.083 -0.273 1
1 258 . 26 1 1 A 38 38 GLU H H 59 7.710 7.725 -0.015 1
1 259 . 26 1 1 A 38 38 GLU N N 59 120.070 119.537 0.533 1
1 260 . 26 1 1 A 38 38 GLU HA H 59 3.940 4.058 -0.118 1
1 265 . 26 1 1 A 39 39 ILE H H 60 8.370 8.045 0.325 1
1 266 . 26 1 1 A 39 39 ILE N N 60 119.710 120.872 -1.162 1
1 267 . 26 1 1 A 39 39 ILE HA H 60 3.360 3.642 -0.282 1
1 276 . 26 1 1 A 40 40 LEU H H 61 8.380 8.545 -0.165 1
1 277 . 26 1 1 A 40 40 LEU N N 61 119.710 121.366 -1.656 1
1 278 . 26 1 1 A 40 40 LEU HA H 61 3.690 3.962 -0.272 1
1 288 . 26 1 1 A 41 41 ASP H H 62 7.410 8.408 -0.998 1
1 289 . 26 1 1 A 41 41 ASP N N 62 116.590 118.321 -1.731 1
1 290 . 26 1 1 A 41 41 ASP HA H 62 4.010 4.253 -0.243 1
1 293 . 26 1 1 A 42 42 ILE H H 63 7.240 8.207 -0.967 1
1 294 . 26 1 1 A 42 42 ILE N N 63 120.430 118.513 1.917 1
1 295 . 26 1 1 A 42 42 ILE HA H 63 2.540 3.628 -1.088 1
1 305 . 26 1 1 A 43 43 ILE H H 64 7.550 8.663 -1.113 1
1 306 . 26 1 1 A 43 43 ILE N N 64 116.230 121.086 -4.856 1
1 307 . 26 1 1 A 43 43 ILE HA H 64 2.250 3.546 -1.296 1
1 317 . 26 1 1 A 44 44 LEU H H 65 8.560 8.550 0.010 1
1 318 . 26 1 1 A 44 44 LEU N N 65 115.630 118.183 -2.553 1
1 319 . 26 1 1 A 44 44 LEU HA H 65 3.700 3.993 -0.293 1
1 329 . 26 1 1 A 45 45 ASN H H 66 8.200 8.676 -0.476 1
1 330 . 26 1 1 A 45 45 ASN N N 66 112.510 115.128 -2.618 1
1 331 . 26 1 1 A 45 45 ASN HA H 66 4.460 4.751 -0.291 1
1 337 . 26 1 1 A 46 46 GLY H H 67 7.480 7.679 -0.199 1
1 338 . 26 1 1 A 46 46 GLY N N 67 111.910 103.295 8.615 1
1 339 . 26 1 1 A 46 46 GLY HA2 H 67 2.060 4.101 -2.041 1
1 340 . 26 1 1 A 46 46 GLY HA3 H 67 3.210 4.108 -0.898 1
1 341 . 26 1 1 A 47 47 GLN H H 68 6.470 8.160 -1.690 1
1 342 . 26 1 1 A 47 47 GLN N N 68 114.550 119.026 -4.476 1
1 343 . 26 1 1 A 47 47 GLN HA H 68 3.730 4.700 -0.970 1
1 351 . 26 1 1 A 48 48 GLY H H 69 8.680 8.733 -0.053 1
1 352 . 26 1 1 A 48 48 GLY N N 69 115.150 111.363 3.787 1
1 353 . 26 1 1 A 48 48 GLY HA2 H 69 3.440 3.716 -0.276 1
1 354 . 26 1 1 A 48 48 GLY HA3 H 69 3.740 3.717 0.023 1
1 355 . 26 1 1 A 49 49 GLY H H 70 9.620 8.287 1.333 1
1 356 . 26 1 1 A 49 49 GLY N N 70 114.790 112.048 2.742 1
1 357 . 26 1 1 A 49 49 GLY HA2 H 70 3.850 3.930 -0.080 1
1 358 . 26 1 1 A 49 49 GLY HA3 H 70 3.980 3.935 0.045 1
1 359 . 26 1 1 A 50 50 MET H H 71 8.100 7.968 0.132 1
1 360 . 26 1 1 A 50 50 MET N N 71 125.230 120.685 4.545 1
1 361 . 26 1 1 A 50 50 MET HA H 71 3.060 4.941 -1.881 1
1 369 . 26 1 1 A 51 51 PRO HA H 72 3.740 4.406 -0.666 1
1 373 . 26 1 1 A 52 52 GLY H H 73 7.670 8.349 -0.679 1
1 374 . 26 1 1 A 52 52 GLY N N 73 103.400 109.142 -5.742 1
1 375 . 26 1 1 A 52 52 GLY HA2 H 73 2.660 4.029 -1.369 1
1 376 . 26 1 1 A 52 52 GLY HA3 H 73 3.060 4.037 -0.977 1
1 377 . 26 1 1 A 53 53 GLY H H 74 7.530 9.022 -1.492 1
1 378 . 26 1 1 A 53 53 GLY N N 74 106.030 109.550 -3.520 1
1 379 . 26 1 1 A 53 53 GLY HA2 H 74 3.370 3.978 -0.608 1
1 380 . 26 1 1 A 53 53 GLY HA3 H 74 3.560 3.980 -0.420 1
1 381 . 26 1 1 A 54 54 ILE H H 75 9.500 8.089 1.411 1
1 382 . 26 1 1 A 54 54 ILE N N 75 124.150 119.650 4.500 1
1 383 . 26 1 1 A 54 54 ILE HA H 75 3.370 3.895 -0.525 1
1 393 . 26 1 1 A 55 55 ALA H H 76 6.620 7.559 -0.939 1
1 394 . 26 1 1 A 55 55 ALA N N 76 113.950 120.475 -6.525 1
1 395 . 26 1 1 A 55 55 ALA HA H 76 4.420 4.853 -0.433 1
1 399 . 26 1 1 A 56 56 LYS H H 77 8.420 8.594 -0.174 1
1 400 . 26 1 1 A 56 56 LYS N N 77 114.790 120.477 -5.687 1
1 401 . 26 1 1 A 56 56 LYS HA H 77 4.320 4.851 -0.531 1
1 407 . 26 1 1 A 57 57 GLY H H 78 8.420 8.770 -0.350 1
1 408 . 26 1 1 A 57 57 GLY N N 78 107.590 110.078 -2.488 1
1 409 . 26 1 1 A 57 57 GLY HA2 H 78 3.640 3.921 -0.281 1
1 410 . 26 1 1 A 57 57 GLY HA3 H 78 3.740 3.923 -0.183 1
1 411 . 26 1 1 A 58 58 ALA H H 79 8.690 8.698 -0.008 1
1 412 . 26 1 1 A 58 58 ALA N N 79 127.150 128.246 -1.096 1
1 413 . 26 1 1 A 58 58 ALA HA H 79 4.040 4.047 -0.007 1
1 417 . 26 1 1 A 59 59 GLU H H 80 8.200 8.050 0.150 1
1 418 . 26 1 1 A 59 59 GLU N N 80 117.910 117.948 -0.038 1
1 419 . 26 1 1 A 59 59 GLU HA H 80 3.890 3.986 -0.096 1
1 424 . 26 1 1 A 60 60 ALA H H 81 6.820 8.029 -1.209 1
1 425 . 26 1 1 A 60 60 ALA N N 81 120.190 121.368 -1.178 1
1 426 . 26 1 1 A 60 60 ALA HA H 81 3.520 4.125 -0.605 1
1 430 . 26 1 1 A 61 61 GLU H H 82 7.940 8.421 -0.481 1
1 431 . 26 1 1 A 61 61 GLU N N 82 114.910 118.395 -3.485 1
1 432 . 26 1 1 A 61 61 GLU HA H 82 3.730 4.090 -0.360 1
1 437 . 26 1 1 A 62 62 ALA H H 83 7.910 8.287 -0.377 1
1 438 . 26 1 1 A 62 62 ALA N N 83 120.670 122.361 -1.691 1
1 439 . 26 1 1 A 62 62 ALA HA H 83 4.190 4.145 0.045 1
1 443 . 26 1 1 A 63 63 VAL H H 84 8.130 8.224 -0.094 1
1 444 . 26 1 1 A 63 63 VAL N N 84 119.230 118.179 1.051 1
1 445 . 26 1 1 A 63 63 VAL HA H 84 3.610 3.865 -0.255 1
1 453 . 26 1 1 A 64 64 ALA H H 85 8.600 8.844 -0.244 1
1 454 . 26 1 1 A 64 64 ALA N N 85 121.750 121.524 0.226 1
1 455 . 26 1 1 A 64 64 ALA HA H 85 4.080 3.982 0.098 1
1 459 . 26 1 1 A 65 65 ALA H H 86 7.690 8.073 -0.383 1
1 460 . 26 1 1 A 65 65 ALA N N 86 117.310 119.017 -1.707 1
1 461 . 26 1 1 A 65 65 ALA HA H 86 3.860 4.104 -0.244 1
1 465 . 26 1 1 A 66 66 TRP H H 87 7.810 8.220 -0.410 1
1 466 . 26 1 1 A 66 66 TRP N N 87 119.230 121.212 -1.982 1
1 467 . 26 1 1 A 66 66 TRP HA H 87 4.180 4.221 -0.041 1
1 476 . 26 1 1 A 67 67 LEU H H 88 9.070 8.803 0.267 1
1 477 . 26 1 1 A 67 67 LEU N N 88 118.630 121.027 -2.397 1
1 478 . 26 1 1 A 67 67 LEU HA H 88 3.760 3.340 0.420 1
1 488 . 26 1 1 A 68 68 ALA H H 89 8.100 8.445 -0.345 1
1 489 . 26 1 1 A 68 68 ALA N N 89 118.030 120.604 -2.574 1
1 490 . 26 1 1 A 68 68 ALA HA H 89 3.780 3.840 -0.060 1
1 494 . 26 1 1 A 69 69 GLU H H 90 6.710 7.462 -0.752 1
1 495 . 26 1 1 A 69 69 GLU N N 90 111.670 118.015 -6.345 1
1 496 . 26 1 1 A 69 69 GLU HA H 90 4.090 4.051 0.039 1
1 501 . 26 1 1 A 70 70 LYS H H 91 7.460 7.610 -0.150 1
1 502 . 26 1 1 A 70 70 LYS N N 91 122.830 119.494 3.336 1
1 503 . 26 1 1 A 70 70 LYS HA H 91 3.980 3.869 0.111 1
1 9 . 27 1 1 A 2 2 ASP H H 23 8.490 8.700 -0.210 1
1 10 . 27 1 1 A 2 2 ASP N N 23 126.550 125.941 0.609 1
1 11 . 27 1 1 A 2 2 ASP HA H 23 4.480 4.471 0.009 1
1 14 . 27 1 1 A 3 3 ALA H H 24 8.280 8.120 0.160 1
1 15 . 27 1 1 A 3 3 ALA N N 24 126.910 128.319 -1.409 1
1 16 . 27 1 1 A 3 3 ALA HA H 24 3.420 3.774 -0.354 1
1 20 . 27 1 1 A 4 4 GLU H H 25 7.590 7.438 0.152 1
1 21 . 27 1 1 A 4 4 GLU N N 25 115.030 116.501 -1.471 1
1 22 . 27 1 1 A 4 4 GLU HA H 25 2.600 2.624 -0.024 1
1 27 . 27 1 1 A 5 5 ALA H H 26 7.060 7.641 -0.581 1
1 28 . 27 1 1 A 5 5 ALA N N 26 120.430 121.968 -1.538 1
1 29 . 27 1 1 A 5 5 ALA HA H 26 3.910 3.994 -0.084 1
1 33 . 27 1 1 A 6 6 VAL H H 27 7.550 8.166 -0.616 1
1 34 . 27 1 1 A 6 6 VAL N N 27 118.870 118.241 0.629 1
1 35 . 27 1 1 A 6 6 VAL HA H 27 3.570 3.561 0.009 1
1 43 . 27 1 1 A 7 7 VAL H H 28 8.090 8.126 -0.036 1
1 44 . 27 1 1 A 7 7 VAL N N 28 120.550 119.371 1.179 1
1 45 . 27 1 1 A 7 7 VAL HA H 28 4.010 3.727 0.283 1
1 53 . 27 1 1 A 8 8 GLN H H 29 7.830 8.519 -0.689 1
1 54 . 27 1 1 A 8 8 GLN N N 29 117.070 118.720 -1.650 1
1 55 . 27 1 1 A 8 8 GLN HA H 29 3.860 4.260 -0.400 1
1 63 . 27 1 1 A 9 9 GLN H H 30 7.640 8.238 -0.598 1
1 64 . 27 1 1 A 9 9 GLN N N 30 115.630 118.762 -3.132 1
1 65 . 27 1 1 A 9 9 GLN HA H 30 4.210 4.632 -0.422 1
1 73 . 27 1 1 A 10 10 LYS H H 31 8.760 8.592 0.168 1
1 74 . 27 1 1 A 10 10 LYS N N 31 113.830 117.538 -3.708 1
1 75 . 27 1 1 A 10 10 LYS HA H 31 4.860 4.468 0.392 1
1 83 . 27 1 1 A 11 11 CYS H H 32 8.770 8.145 0.625 1
1 84 . 27 1 1 A 11 11 CYS N N 32 114.980 115.674 -0.694 1
1 85 . 27 1 1 A 11 11 CYS HA H 32 6.040 4.673 1.367 1
1 88 . 27 1 1 A 12 12 ILE H H 33 6.960 8.123 -1.163 1
1 89 . 27 1 1 A 12 12 ILE N N 33 110.470 120.221 -9.751 1
1 90 . 27 1 1 A 12 12 ILE HA H 33 3.200 3.939 -0.739 1
1 97 . 27 1 1 A 13 13 SER H H 34 8.520 8.327 0.193 1
1 98 . 27 1 1 A 13 13 SER N N 34 119.350 116.649 2.701 1
1 99 . 27 1 1 A 13 13 SER HA H 34 3.870 4.036 -0.166 1
1 102 . 27 1 1 A 14 14 CYS H H 35 6.100 8.101 -2.001 1
1 103 . 27 1 1 A 14 14 CYS N N 35 114.670 117.913 -3.243 1
1 104 . 27 1 1 A 14 14 CYS HA H 35 4.370 4.563 -0.193 1
1 107 . 27 1 1 A 15 15 HIS H H 36 6.120 8.223 -2.103 1
1 108 . 27 1 1 A 15 15 HIS N N 36 112.870 116.437 -3.567 1
1 109 . 27 1 1 A 15 15 HIS HA H 36 2.580 4.497 -1.917 1
1 116 . 27 1 1 A 16 16 GLY H H 37 7.080 8.164 -1.084 1
1 117 . 27 1 1 A 16 16 GLY N N 37 106.750 107.698 -0.948 1
1 118 . 27 1 1 A 16 16 GLY HA2 H 37 3.200 3.993 -0.793 1
1 119 . 27 1 1 A 16 16 GLY HA3 H 37 3.920 3.998 -0.078 1
1 120 . 27 1 1 A 17 17 GLY H H 38 8.310 8.864 -0.554 1
1 121 . 27 1 1 A 17 17 GLY N N 38 108.070 110.243 -2.173 1
1 122 . 27 1 1 A 17 17 GLY HA2 H 38 3.440 3.901 -0.461 1
1 123 . 27 1 1 A 17 17 GLY HA3 H 38 3.670 3.910 -0.240 1
1 124 . 27 1 1 A 18 18 ASP H H 39 7.420 7.860 -0.440 1
1 125 . 27 1 1 A 18 18 ASP N N 39 115.870 120.916 -5.046 1
1 126 . 27 1 1 A 18 18 ASP HA H 39 4.460 4.702 -0.242 1
1 129 . 27 1 1 A 19 19 LEU H H 40 7.460 8.175 -0.715 1
1 130 . 27 1 1 A 19 19 LEU N N 40 109.030 116.458 -7.428 1
1 131 . 27 1 1 A 19 19 LEU HA H 40 3.150 4.118 -0.968 1
1 141 . 27 1 1 A 20 20 THR H H 41 7.390 8.170 -0.780 1
1 142 . 27 1 1 A 20 20 THR N N 41 105.670 111.040 -5.370 1
1 143 . 27 1 1 A 20 20 THR HA H 41 3.950 4.308 -0.358 1
1 148 . 27 1 1 A 21 21 GLY H H 42 7.610 8.109 -0.499 1
1 149 . 27 1 1 A 21 21 GLY N N 42 111.310 110.234 1.076 1
1 150 . 27 1 1 A 21 21 GLY HA2 H 42 2.600 4.056 -1.456 1
1 151 . 27 1 1 A 21 21 GLY HA3 H 42 3.980 4.100 -0.120 1
1 152 . 27 1 1 A 22 22 ALA H H 43 7.480 7.975 -0.495 1
1 153 . 27 1 1 A 22 22 ALA N N 43 125.590 122.727 2.863 1
1 154 . 27 1 1 A 22 22 ALA HA H 43 3.980 4.268 -0.288 1
1 158 . 27 1 1 A 23 23 SER H H 44 7.760 8.306 -0.546 1
1 159 . 27 1 1 A 23 23 SER N N 44 118.630 112.145 6.485 1
1 160 . 27 1 1 A 23 23 SER HA H 44 4.080 4.453 -0.373 1
1 163 . 27 1 1 A 24 24 ALA H H 45 7.300 7.574 -0.274 1
1 164 . 27 1 1 A 24 24 ALA N N 45 125.110 121.244 3.866 1
1 165 . 27 1 1 A 24 24 ALA HA H 45 4.170 4.790 -0.620 1
1 169 . 27 1 1 A 25 25 PRO HA H 46 3.910 4.632 -0.722 1
1 176 . 27 1 1 A 26 26 ALA H H 47 7.920 8.389 -0.469 1
1 177 . 27 1 1 A 26 26 ALA N N 47 120.310 124.628 -4.318 1
1 178 . 27 1 1 A 26 26 ALA HA H 47 3.370 4.376 -1.006 1
1 182 . 27 1 1 A 27 27 ILE H H 48 7.770 8.417 -0.647 1
1 183 . 27 1 1 A 27 27 ILE N N 48 112.150 118.791 -6.641 1
1 184 . 27 1 1 A 27 27 ILE HA H 48 4.170 4.427 -0.257 1
1 194 . 27 1 1 A 28 28 ASP H H 49 8.250 8.280 -0.030 1
1 195 . 27 1 1 A 28 28 ASP N N 49 119.980 124.172 -4.192 1
1 196 . 27 1 1 A 28 28 ASP HA H 49 3.600 4.241 -0.641 1
1 199 . 27 1 1 A 29 29 LYS H H 50 7.720 7.851 -0.131 1
1 200 . 27 1 1 A 29 29 LYS N N 50 117.430 117.641 -0.211 1
1 201 . 27 1 1 A 29 29 LYS HA H 50 4.220 4.350 -0.130 1
1 209 . 27 1 1 A 30 30 ALA H H 51 7.130 8.166 -1.036 1
1 210 . 27 1 1 A 30 30 ALA N N 51 121.030 122.857 -1.827 1
1 211 . 27 1 1 A 30 30 ALA HA H 51 4.240 3.952 0.288 1
1 215 . 27 1 1 A 31 31 GLY H H 52 8.290 8.346 -0.056 1
1 216 . 27 1 1 A 31 31 GLY N N 52 103.990 105.360 -1.370 1
1 217 . 27 1 1 A 31 31 GLY HA2 H 52 3.670 3.766 -0.096 1
1 218 . 27 1 1 A 31 31 GLY HA3 H 52 4.370 3.811 0.559 1
1 219 . 27 1 1 A 32 32 ALA H H 53 7.970 8.062 -0.092 1
1 220 . 27 1 1 A 32 32 ALA N N 53 120.670 124.558 -3.888 1
1 221 . 27 1 1 A 32 32 ALA HA H 53 4.160 3.996 0.164 1
1 225 . 27 1 1 A 33 33 ASN H H 54 7.490 8.119 -0.629 1
1 226 . 27 1 1 A 33 33 ASN N N 54 113.350 114.771 -1.421 1
1 227 . 27 1 1 A 33 33 ASN HA H 54 4.590 4.479 0.111 1
1 233 . 27 1 1 A 34 34 TYR H H 55 8.070 8.069 0.001 1
1 234 . 27 1 1 A 34 34 TYR N N 55 118.270 115.423 2.847 1
1 235 . 27 1 1 A 34 34 TYR HA H 55 5.020 5.082 -0.062 1
1 240 . 27 1 1 A 35 35 SER H H 56 9.110 8.944 0.166 1
1 241 . 27 1 1 A 35 35 SER N N 56 114.910 116.609 -1.699 1
1 242 . 27 1 1 A 35 35 SER HA H 56 4.560 4.823 -0.263 1
1 245 . 27 1 1 A 36 36 GLU H H 57 9.020 9.221 -0.201 1
1 246 . 27 1 1 A 36 36 GLU N N 57 121.630 123.224 -1.594 1
1 247 . 27 1 1 A 36 36 GLU HA H 57 3.670 4.055 -0.385 1
1 251 . 27 1 1 A 37 37 GLU H H 58 8.680 8.254 0.426 1
1 252 . 27 1 1 A 37 37 GLU N N 58 116.230 119.273 -3.043 1
1 253 . 27 1 1 A 37 37 GLU HA H 58 3.810 4.091 -0.281 1
1 258 . 27 1 1 A 38 38 GLU H H 59 7.710 8.334 -0.624 1
1 259 . 27 1 1 A 38 38 GLU N N 59 120.070 119.747 0.323 1
1 260 . 27 1 1 A 38 38 GLU HA H 59 3.940 3.956 -0.016 1
1 265 . 27 1 1 A 39 39 ILE H H 60 8.370 8.086 0.284 1
1 266 . 27 1 1 A 39 39 ILE N N 60 119.710 120.785 -1.075 1
1 267 . 27 1 1 A 39 39 ILE HA H 60 3.360 3.681 -0.321 1
1 276 . 27 1 1 A 40 40 LEU H H 61 8.380 8.505 -0.125 1
1 277 . 27 1 1 A 40 40 LEU N N 61 119.710 121.484 -1.774 1
1 278 . 27 1 1 A 40 40 LEU HA H 61 3.690 3.963 -0.273 1
1 288 . 27 1 1 A 41 41 ASP H H 62 7.410 8.536 -1.126 1
1 289 . 27 1 1 A 41 41 ASP N N 62 116.590 118.383 -1.793 1
1 290 . 27 1 1 A 41 41 ASP HA H 62 4.010 4.274 -0.264 1
1 293 . 27 1 1 A 42 42 ILE H H 63 7.240 8.065 -0.825 1
1 294 . 27 1 1 A 42 42 ILE N N 63 120.430 119.175 1.255 1
1 295 . 27 1 1 A 42 42 ILE HA H 63 2.540 3.666 -1.126 1
1 305 . 27 1 1 A 43 43 ILE H H 64 7.550 8.487 -0.937 1
1 306 . 27 1 1 A 43 43 ILE N N 64 116.230 121.661 -5.431 1
1 307 . 27 1 1 A 43 43 ILE HA H 64 2.250 3.573 -1.323 1
1 317 . 27 1 1 A 44 44 LEU H H 65 8.560 8.463 0.097 1
1 318 . 27 1 1 A 44 44 LEU N N 65 115.630 118.394 -2.764 1
1 319 . 27 1 1 A 44 44 LEU HA H 65 3.700 3.975 -0.275 1
1 329 . 27 1 1 A 45 45 ASN H H 66 8.200 8.386 -0.186 1
1 330 . 27 1 1 A 45 45 ASN N N 66 112.510 114.264 -1.754 1
1 331 . 27 1 1 A 45 45 ASN HA H 66 4.460 4.649 -0.189 1
1 337 . 27 1 1 A 46 46 GLY H H 67 7.480 8.137 -0.657 1
1 338 . 27 1 1 A 46 46 GLY N N 67 111.910 105.398 6.512 1
1 339 . 27 1 1 A 46 46 GLY HA2 H 67 2.060 4.031 -1.971 1
1 340 . 27 1 1 A 46 46 GLY HA3 H 67 3.210 4.041 -0.831 1
1 341 . 27 1 1 A 47 47 GLN H H 68 6.470 8.446 -1.976 1
1 342 . 27 1 1 A 47 47 GLN N N 68 114.550 123.204 -8.654 1
1 343 . 27 1 1 A 47 47 GLN HA H 68 3.730 4.191 -0.461 1
1 351 . 27 1 1 A 48 48 GLY H H 69 8.680 8.768 -0.088 1
1 352 . 27 1 1 A 48 48 GLY N N 69 115.150 111.528 3.622 1
1 353 . 27 1 1 A 48 48 GLY HA2 H 69 3.440 3.827 -0.387 1
1 354 . 27 1 1 A 48 48 GLY HA3 H 69 3.740 3.830 -0.090 1
1 355 . 27 1 1 A 49 49 GLY H H 70 9.620 8.079 1.541 1
1 356 . 27 1 1 A 49 49 GLY N N 70 114.790 108.295 6.495 1
1 357 . 27 1 1 A 49 49 GLY HA2 H 70 3.850 3.962 -0.112 1
1 358 . 27 1 1 A 49 49 GLY HA3 H 70 3.980 3.962 0.018 1
1 359 . 27 1 1 A 50 50 MET H H 71 8.100 8.022 0.078 1
1 360 . 27 1 1 A 50 50 MET N N 71 125.230 120.559 4.671 1
1 361 . 27 1 1 A 50 50 MET HA H 71 3.060 4.748 -1.688 1
1 369 . 27 1 1 A 51 51 PRO HA H 72 3.740 4.391 -0.651 1
1 373 . 27 1 1 A 52 52 GLY H H 73 7.670 8.302 -0.632 1
1 374 . 27 1 1 A 52 52 GLY N N 73 103.400 109.139 -5.739 1
1 375 . 27 1 1 A 52 52 GLY HA2 H 73 2.660 4.033 -1.373 1
1 376 . 27 1 1 A 52 52 GLY HA3 H 73 3.060 4.042 -0.982 1
1 377 . 27 1 1 A 53 53 GLY H H 74 7.530 8.925 -1.395 1
1 378 . 27 1 1 A 53 53 GLY N N 74 106.030 109.429 -3.399 1
1 379 . 27 1 1 A 53 53 GLY HA2 H 74 3.370 3.956 -0.586 1
1 380 . 27 1 1 A 53 53 GLY HA3 H 74 3.560 3.958 -0.398 1
1 381 . 27 1 1 A 54 54 ILE H H 75 9.500 8.107 1.393 1
1 382 . 27 1 1 A 54 54 ILE N N 75 124.150 119.435 4.715 1
1 383 . 27 1 1 A 54 54 ILE HA H 75 3.370 3.871 -0.501 1
1 393 . 27 1 1 A 55 55 ALA H H 76 6.620 7.624 -1.004 1
1 394 . 27 1 1 A 55 55 ALA N N 76 113.950 120.326 -6.376 1
1 395 . 27 1 1 A 55 55 ALA HA H 76 4.420 4.870 -0.450 1
1 399 . 27 1 1 A 56 56 LYS H H 77 8.420 8.981 -0.561 1
1 400 . 27 1 1 A 56 56 LYS N N 77 114.790 119.933 -5.143 1
1 401 . 27 1 1 A 56 56 LYS HA H 77 4.320 4.867 -0.547 1
1 407 . 27 1 1 A 57 57 GLY H H 78 8.420 8.752 -0.332 1
1 408 . 27 1 1 A 57 57 GLY N N 78 107.590 110.127 -2.537 1
1 409 . 27 1 1 A 57 57 GLY HA2 H 78 3.640 3.914 -0.274 1
1 410 . 27 1 1 A 57 57 GLY HA3 H 78 3.740 3.916 -0.176 1
1 411 . 27 1 1 A 58 58 ALA H H 79 8.690 8.714 -0.024 1
1 412 . 27 1 1 A 58 58 ALA N N 79 127.150 128.252 -1.102 1
1 413 . 27 1 1 A 58 58 ALA HA H 79 4.040 4.032 0.008 1
1 417 . 27 1 1 A 59 59 GLU H H 80 8.200 8.041 0.159 1
1 418 . 27 1 1 A 59 59 GLU N N 80 117.910 118.420 -0.510 1
1 419 . 27 1 1 A 59 59 GLU HA H 80 3.890 4.005 -0.115 1
1 424 . 27 1 1 A 60 60 ALA H H 81 6.820 7.787 -0.967 1
1 425 . 27 1 1 A 60 60 ALA N N 81 120.190 120.804 -0.614 1
1 426 . 27 1 1 A 60 60 ALA HA H 81 3.520 4.103 -0.583 1
1 430 . 27 1 1 A 61 61 GLU H H 82 7.940 8.495 -0.555 1
1 431 . 27 1 1 A 61 61 GLU N N 82 114.910 118.616 -3.706 1
1 432 . 27 1 1 A 61 61 GLU HA H 82 3.730 4.052 -0.322 1
1 437 . 27 1 1 A 62 62 ALA H H 83 7.910 7.945 -0.035 1
1 438 . 27 1 1 A 62 62 ALA N N 83 120.670 122.274 -1.604 1
1 439 . 27 1 1 A 62 62 ALA HA H 83 4.190 4.101 0.089 1
1 443 . 27 1 1 A 63 63 VAL H H 84 8.130 8.043 0.087 1
1 444 . 27 1 1 A 63 63 VAL N N 84 119.230 118.541 0.689 1
1 445 . 27 1 1 A 63 63 VAL HA H 84 3.610 3.746 -0.136 1
1 453 . 27 1 1 A 64 64 ALA H H 85 8.600 8.814 -0.214 1
1 454 . 27 1 1 A 64 64 ALA N N 85 121.750 121.619 0.131 1
1 455 . 27 1 1 A 64 64 ALA HA H 85 4.080 4.034 0.046 1
1 459 . 27 1 1 A 65 65 ALA H H 86 7.690 7.890 -0.200 1
1 460 . 27 1 1 A 65 65 ALA N N 86 117.310 119.294 -1.984 1
1 461 . 27 1 1 A 65 65 ALA HA H 86 3.860 4.061 -0.201 1
1 465 . 27 1 1 A 66 66 TRP H H 87 7.810 8.258 -0.448 1
1 466 . 27 1 1 A 66 66 TRP N N 87 119.230 120.867 -1.637 1
1 467 . 27 1 1 A 66 66 TRP HA H 87 4.180 4.255 -0.075 1
1 476 . 27 1 1 A 67 67 LEU H H 88 9.070 8.875 0.195 1
1 477 . 27 1 1 A 67 67 LEU N N 88 118.630 121.166 -2.536 1
1 478 . 27 1 1 A 67 67 LEU HA H 88 3.760 3.599 0.161 1
1 488 . 27 1 1 A 68 68 ALA H H 89 8.100 8.564 -0.464 1
1 489 . 27 1 1 A 68 68 ALA N N 89 118.030 121.092 -3.062 1
1 490 . 27 1 1 A 68 68 ALA HA H 89 3.780 3.904 -0.124 1
1 494 . 27 1 1 A 69 69 GLU H H 90 6.710 7.986 -1.276 1
1 495 . 27 1 1 A 69 69 GLU N N 90 111.670 118.671 -7.001 1
1 496 . 27 1 1 A 69 69 GLU HA H 90 4.090 4.043 0.047 1
1 501 . 27 1 1 A 70 70 LYS H H 91 7.460 7.674 -0.214 1
1 502 . 27 1 1 A 70 70 LYS N N 91 122.830 118.578 4.252 1
1 503 . 27 1 1 A 70 70 LYS HA H 91 3.980 4.066 -0.086 1
1 9 . 28 1 1 A 2 2 ASP H H 23 8.490 8.792 -0.302 1
1 10 . 28 1 1 A 2 2 ASP N N 23 126.550 128.484 -1.934 1
1 11 . 28 1 1 A 2 2 ASP HA H 23 4.480 4.583 -0.103 1
1 14 . 28 1 1 A 3 3 ALA H H 24 8.280 8.844 -0.564 1
1 15 . 28 1 1 A 3 3 ALA N N 24 126.910 128.030 -1.120 1
1 16 . 28 1 1 A 3 3 ALA HA H 24 3.420 3.833 -0.413 1
1 20 . 28 1 1 A 4 4 GLU H H 25 7.590 7.772 -0.182 1
1 21 . 28 1 1 A 4 4 GLU N N 25 115.030 116.378 -1.348 1
1 22 . 28 1 1 A 4 4 GLU HA H 25 2.600 2.990 -0.390 1
1 27 . 28 1 1 A 5 5 ALA H H 26 7.060 7.652 -0.592 1
1 28 . 28 1 1 A 5 5 ALA N N 26 120.430 121.993 -1.563 1
1 29 . 28 1 1 A 5 5 ALA HA H 26 3.910 3.979 -0.069 1
1 33 . 28 1 1 A 6 6 VAL H H 27 7.550 8.165 -0.615 1
1 34 . 28 1 1 A 6 6 VAL N N 27 118.870 118.156 0.714 1
1 35 . 28 1 1 A 6 6 VAL HA H 27 3.570 3.525 0.045 1
1 43 . 28 1 1 A 7 7 VAL H H 28 8.090 8.018 0.072 1
1 44 . 28 1 1 A 7 7 VAL N N 28 120.550 119.383 1.167 1
1 45 . 28 1 1 A 7 7 VAL HA H 28 4.010 3.539 0.471 1
1 53 . 28 1 1 A 8 8 GLN H H 29 7.830 8.229 -0.399 1
1 54 . 28 1 1 A 8 8 GLN N N 29 117.070 117.416 -0.346 1
1 55 . 28 1 1 A 8 8 GLN HA H 29 3.860 4.244 -0.384 1
1 63 . 28 1 1 A 9 9 GLN H H 30 7.640 8.418 -0.778 1
1 64 . 28 1 1 A 9 9 GLN N N 30 115.630 119.493 -3.863 1
1 65 . 28 1 1 A 9 9 GLN HA H 30 4.210 4.640 -0.430 1
1 73 . 28 1 1 A 10 10 LYS H H 31 8.760 8.301 0.459 1
1 74 . 28 1 1 A 10 10 LYS N N 31 113.830 117.480 -3.650 1
1 75 . 28 1 1 A 10 10 LYS HA H 31 4.860 4.437 0.423 1
1 83 . 28 1 1 A 11 11 CYS H H 32 8.770 8.368 0.402 1
1 84 . 28 1 1 A 11 11 CYS N N 32 114.980 116.378 -1.398 1
1 85 . 28 1 1 A 11 11 CYS HA H 32 6.040 4.670 1.370 1
1 88 . 28 1 1 A 12 12 ILE H H 33 6.960 8.185 -1.225 1
1 89 . 28 1 1 A 12 12 ILE N N 33 110.470 119.847 -9.377 1
1 90 . 28 1 1 A 12 12 ILE HA H 33 3.200 3.933 -0.733 1
1 97 . 28 1 1 A 13 13 SER H H 34 8.520 8.081 0.439 1
1 98 . 28 1 1 A 13 13 SER N N 34 119.350 117.619 1.731 1
1 99 . 28 1 1 A 13 13 SER HA H 34 3.870 4.095 -0.225 1
1 102 . 28 1 1 A 14 14 CYS H H 35 6.100 8.028 -1.928 1
1 103 . 28 1 1 A 14 14 CYS N N 35 114.670 117.024 -2.354 1
1 104 . 28 1 1 A 14 14 CYS HA H 35 4.370 4.544 -0.174 1
1 107 . 28 1 1 A 15 15 HIS H H 36 6.120 8.232 -2.112 1
1 108 . 28 1 1 A 15 15 HIS N N 36 112.870 118.935 -6.065 1
1 109 . 28 1 1 A 15 15 HIS HA H 36 2.580 4.466 -1.886 1
1 116 . 28 1 1 A 16 16 GLY H H 37 7.080 8.075 -0.995 1
1 117 . 28 1 1 A 16 16 GLY N N 37 106.750 106.071 0.679 1
1 118 . 28 1 1 A 16 16 GLY HA2 H 37 3.200 3.972 -0.772 1
1 119 . 28 1 1 A 16 16 GLY HA3 H 37 3.920 3.987 -0.067 1
1 120 . 28 1 1 A 17 17 GLY H H 38 8.310 8.687 -0.377 1
1 121 . 28 1 1 A 17 17 GLY N N 38 108.070 111.284 -3.214 1
1 122 . 28 1 1 A 17 17 GLY HA2 H 38 3.440 4.065 -0.625 1
1 123 . 28 1 1 A 17 17 GLY HA3 H 38 3.670 4.069 -0.399 1
1 124 . 28 1 1 A 18 18 ASP H H 39 7.420 8.394 -0.974 1
1 125 . 28 1 1 A 18 18 ASP N N 39 115.870 121.283 -5.413 1
1 126 . 28 1 1 A 18 18 ASP HA H 39 4.460 4.773 -0.313 1
1 129 . 28 1 1 A 19 19 LEU H H 40 7.460 7.968 -0.508 1
1 130 . 28 1 1 A 19 19 LEU N N 40 109.030 116.281 -7.251 1
1 131 . 28 1 1 A 19 19 LEU HA H 40 3.150 4.182 -1.032 1
1 141 . 28 1 1 A 20 20 THR H H 41 7.390 8.191 -0.801 1
1 142 . 28 1 1 A 20 20 THR N N 41 105.670 111.193 -5.523 1
1 143 . 28 1 1 A 20 20 THR HA H 41 3.950 4.333 -0.383 1
1 148 . 28 1 1 A 21 21 GLY H H 42 7.610 8.011 -0.401 1
1 149 . 28 1 1 A 21 21 GLY N N 42 111.310 110.168 1.142 1
1 150 . 28 1 1 A 21 21 GLY HA2 H 42 2.600 4.068 -1.468 1
1 151 . 28 1 1 A 21 21 GLY HA3 H 42 3.980 4.108 -0.128 1
1 152 . 28 1 1 A 22 22 ALA H H 43 7.480 8.168 -0.688 1
1 153 . 28 1 1 A 22 22 ALA N N 43 125.590 122.645 2.945 1
1 154 . 28 1 1 A 22 22 ALA HA H 43 3.980 4.166 -0.186 1
1 158 . 28 1 1 A 23 23 SER H H 44 7.760 8.292 -0.532 1
1 159 . 28 1 1 A 23 23 SER N N 44 118.630 111.855 6.775 1
1 160 . 28 1 1 A 23 23 SER HA H 44 4.080 4.463 -0.383 1
1 163 . 28 1 1 A 24 24 ALA H H 45 7.300 7.580 -0.280 1
1 164 . 28 1 1 A 24 24 ALA N N 45 125.110 121.252 3.858 1
1 165 . 28 1 1 A 24 24 ALA HA H 45 4.170 4.776 -0.606 1
1 169 . 28 1 1 A 25 25 PRO HA H 46 3.910 4.649 -0.739 1
1 176 . 28 1 1 A 26 26 ALA H H 47 7.920 8.424 -0.504 1
1 177 . 28 1 1 A 26 26 ALA N N 47 120.310 124.671 -4.361 1
1 178 . 28 1 1 A 26 26 ALA HA H 47 3.370 4.520 -1.150 1
1 182 . 28 1 1 A 27 27 ILE H H 48 7.770 8.672 -0.902 1
1 183 . 28 1 1 A 27 27 ILE N N 48 112.150 119.134 -6.984 1
1 184 . 28 1 1 A 27 27 ILE HA H 48 4.170 4.510 -0.340 1
1 194 . 28 1 1 A 28 28 ASP H H 49 8.250 8.417 -0.167 1
1 195 . 28 1 1 A 28 28 ASP N N 49 119.980 124.008 -4.028 1
1 196 . 28 1 1 A 28 28 ASP HA H 49 3.600 4.389 -0.789 1
1 199 . 28 1 1 A 29 29 LYS H H 50 7.720 8.008 -0.288 1
1 200 . 28 1 1 A 29 29 LYS N N 50 117.430 116.779 0.651 1
1 201 . 28 1 1 A 29 29 LYS HA H 50 4.220 4.360 -0.140 1
1 209 . 28 1 1 A 30 30 ALA H H 51 7.130 8.196 -1.066 1
1 210 . 28 1 1 A 30 30 ALA N N 51 121.030 124.161 -3.131 1
1 211 . 28 1 1 A 30 30 ALA HA H 51 4.240 4.070 0.170 1
1 215 . 28 1 1 A 31 31 GLY H H 52 8.290 8.282 0.008 1
1 216 . 28 1 1 A 31 31 GLY N N 52 103.990 105.981 -1.991 1
1 217 . 28 1 1 A 31 31 GLY HA2 H 52 3.670 3.726 -0.056 1
1 218 . 28 1 1 A 31 31 GLY HA3 H 52 4.370 3.777 0.593 1
1 219 . 28 1 1 A 32 32 ALA H H 53 7.970 8.161 -0.191 1
1 220 . 28 1 1 A 32 32 ALA N N 53 120.670 124.716 -4.046 1
1 221 . 28 1 1 A 32 32 ALA HA H 53 4.160 3.900 0.260 1
1 225 . 28 1 1 A 33 33 ASN H H 54 7.490 7.447 0.043 1
1 226 . 28 1 1 A 33 33 ASN N N 54 113.350 113.782 -0.432 1
1 227 . 28 1 1 A 33 33 ASN HA H 54 4.590 4.411 0.179 1
1 233 . 28 1 1 A 34 34 TYR H H 55 8.070 7.914 0.156 1
1 234 . 28 1 1 A 34 34 TYR N N 55 118.270 116.018 2.252 1
1 235 . 28 1 1 A 34 34 TYR HA H 55 5.020 5.291 -0.271 1
1 240 . 28 1 1 A 35 35 SER H H 56 9.110 9.760 -0.650 1
1 241 . 28 1 1 A 35 35 SER N N 56 114.910 120.120 -5.210 1
1 242 . 28 1 1 A 35 35 SER HA H 56 4.560 4.637 -0.077 1
1 245 . 28 1 1 A 36 36 GLU H H 57 9.020 9.036 -0.016 1
1 246 . 28 1 1 A 36 36 GLU N N 57 121.630 123.595 -1.965 1
1 247 . 28 1 1 A 36 36 GLU HA H 57 3.670 4.054 -0.384 1
1 251 . 28 1 1 A 37 37 GLU H H 58 8.680 8.412 0.268 1
1 252 . 28 1 1 A 37 37 GLU N N 58 116.230 119.568 -3.338 1
1 253 . 28 1 1 A 37 37 GLU HA H 58 3.810 4.103 -0.293 1
1 258 . 28 1 1 A 38 38 GLU H H 59 7.710 7.963 -0.253 1
1 259 . 28 1 1 A 38 38 GLU N N 59 120.070 119.610 0.460 1
1 260 . 28 1 1 A 38 38 GLU HA H 59 3.940 4.031 -0.091 1
1 265 . 28 1 1 A 39 39 ILE H H 60 8.370 7.966 0.404 1
1 266 . 28 1 1 A 39 39 ILE N N 60 119.710 121.007 -1.297 1
1 267 . 28 1 1 A 39 39 ILE HA H 60 3.360 3.630 -0.270 1
1 276 . 28 1 1 A 40 40 LEU H H 61 8.380 8.503 -0.123 1
1 277 . 28 1 1 A 40 40 LEU N N 61 119.710 121.384 -1.674 1
1 278 . 28 1 1 A 40 40 LEU HA H 61 3.690 3.970 -0.280 1
1 288 . 28 1 1 A 41 41 ASP H H 62 7.410 8.387 -0.977 1
1 289 . 28 1 1 A 41 41 ASP N N 62 116.590 118.325 -1.735 1
1 290 . 28 1 1 A 41 41 ASP HA H 62 4.010 4.271 -0.261 1
1 293 . 28 1 1 A 42 42 ILE H H 63 7.240 8.132 -0.892 1
1 294 . 28 1 1 A 42 42 ILE N N 63 120.430 118.886 1.544 1
1 295 . 28 1 1 A 42 42 ILE HA H 63 2.540 3.647 -1.107 1
1 305 . 28 1 1 A 43 43 ILE H H 64 7.550 8.609 -1.059 1
1 306 . 28 1 1 A 43 43 ILE N N 64 116.230 121.467 -5.237 1
1 307 . 28 1 1 A 43 43 ILE HA H 64 2.250 3.511 -1.261 1
1 317 . 28 1 1 A 44 44 LEU H H 65 8.560 8.381 0.179 1
1 318 . 28 1 1 A 44 44 LEU N N 65 115.630 118.205 -2.575 1
1 319 . 28 1 1 A 44 44 LEU HA H 65 3.700 3.976 -0.276 1
1 329 . 28 1 1 A 45 45 ASN H H 66 8.200 8.641 -0.441 1
1 330 . 28 1 1 A 45 45 ASN N N 66 112.510 114.878 -2.368 1
1 331 . 28 1 1 A 45 45 ASN HA H 66 4.460 4.681 -0.221 1
1 337 . 28 1 1 A 46 46 GLY H H 67 7.480 7.839 -0.359 1
1 338 . 28 1 1 A 46 46 GLY N N 67 111.910 103.903 8.007 1
1 339 . 28 1 1 A 46 46 GLY HA2 H 67 2.060 4.107 -2.047 1
1 340 . 28 1 1 A 46 46 GLY HA3 H 67 3.210 4.115 -0.905 1
1 341 . 28 1 1 A 47 47 GLN H H 68 6.470 8.089 -1.619 1
1 342 . 28 1 1 A 47 47 GLN N N 68 114.550 119.343 -4.793 1
1 343 . 28 1 1 A 47 47 GLN HA H 68 3.730 4.693 -0.963 1
1 351 . 28 1 1 A 48 48 GLY H H 69 8.680 8.947 -0.267 1
1 352 . 28 1 1 A 48 48 GLY N N 69 115.150 116.393 -1.243 1
1 353 . 28 1 1 A 48 48 GLY HA2 H 69 3.440 3.852 -0.412 1
1 354 . 28 1 1 A 48 48 GLY HA3 H 69 3.740 3.854 -0.114 1
1 355 . 28 1 1 A 49 49 GLY H H 70 9.620 8.945 0.675 1
1 356 . 28 1 1 A 49 49 GLY N N 70 114.790 115.032 -0.242 1
1 357 . 28 1 1 A 49 49 GLY HA2 H 70 3.850 3.928 -0.078 1
1 358 . 28 1 1 A 49 49 GLY HA3 H 70 3.980 3.933 0.047 1
1 359 . 28 1 1 A 50 50 MET H H 71 8.100 7.914 0.186 1
1 360 . 28 1 1 A 50 50 MET N N 71 125.230 121.185 4.045 1
1 361 . 28 1 1 A 50 50 MET HA H 71 3.060 4.666 -1.606 1
1 369 . 28 1 1 A 51 51 PRO HA H 72 3.740 4.383 -0.643 1
1 373 . 28 1 1 A 52 52 GLY H H 73 7.670 8.296 -0.626 1
1 374 . 28 1 1 A 52 52 GLY N N 73 103.400 109.355 -5.955 1
1 375 . 28 1 1 A 52 52 GLY HA2 H 73 2.660 4.050 -1.390 1
1 376 . 28 1 1 A 52 52 GLY HA3 H 73 3.060 4.058 -0.998 1
1 377 . 28 1 1 A 53 53 GLY H H 74 7.530 9.039 -1.509 1
1 378 . 28 1 1 A 53 53 GLY N N 74 106.030 108.768 -2.738 1
1 379 . 28 1 1 A 53 53 GLY HA2 H 74 3.370 3.936 -0.566 1
1 380 . 28 1 1 A 53 53 GLY HA3 H 74 3.560 3.937 -0.377 1
1 381 . 28 1 1 A 54 54 ILE H H 75 9.500 8.124 1.376 1
1 382 . 28 1 1 A 54 54 ILE N N 75 124.150 118.927 5.223 1
1 383 . 28 1 1 A 54 54 ILE HA H 75 3.370 3.922 -0.552 1
1 393 . 28 1 1 A 55 55 ALA H H 76 6.620 7.668 -1.048 1
1 394 . 28 1 1 A 55 55 ALA N N 76 113.950 120.640 -6.690 1
1 395 . 28 1 1 A 55 55 ALA HA H 76 4.420 5.054 -0.634 1
1 399 . 28 1 1 A 56 56 LYS H H 77 8.420 8.017 0.403 1
1 400 . 28 1 1 A 56 56 LYS N N 77 114.790 117.536 -2.746 1
1 401 . 28 1 1 A 56 56 LYS HA H 77 4.320 4.907 -0.587 1
1 407 . 28 1 1 A 57 57 GLY H H 78 8.420 8.742 -0.322 1
1 408 . 28 1 1 A 57 57 GLY N N 78 107.590 109.563 -1.973 1
1 409 . 28 1 1 A 57 57 GLY HA2 H 78 3.640 3.912 -0.272 1
1 410 . 28 1 1 A 57 57 GLY HA3 H 78 3.740 3.914 -0.174 1
1 411 . 28 1 1 A 58 58 ALA H H 79 8.690 8.744 -0.054 1
1 412 . 28 1 1 A 58 58 ALA N N 79 127.150 128.373 -1.223 1
1 413 . 28 1 1 A 58 58 ALA HA H 79 4.040 4.050 -0.010 1
1 417 . 28 1 1 A 59 59 GLU H H 80 8.200 8.071 0.129 1
1 418 . 28 1 1 A 59 59 GLU N N 80 117.910 118.273 -0.363 1
1 419 . 28 1 1 A 59 59 GLU HA H 80 3.890 4.006 -0.116 1
1 424 . 28 1 1 A 60 60 ALA H H 81 6.820 7.850 -1.030 1
1 425 . 28 1 1 A 60 60 ALA N N 81 120.190 121.078 -0.888 1
1 426 . 28 1 1 A 60 60 ALA HA H 81 3.520 4.115 -0.595 1
1 430 . 28 1 1 A 61 61 GLU H H 82 7.940 8.486 -0.546 1
1 431 . 28 1 1 A 61 61 GLU N N 82 114.910 118.553 -3.643 1
1 432 . 28 1 1 A 61 61 GLU HA H 82 3.730 4.046 -0.316 1
1 437 . 28 1 1 A 62 62 ALA H H 83 7.910 8.222 -0.312 1
1 438 . 28 1 1 A 62 62 ALA N N 83 120.670 122.393 -1.723 1
1 439 . 28 1 1 A 62 62 ALA HA H 83 4.190 4.138 0.052 1
1 443 . 28 1 1 A 63 63 VAL H H 84 8.130 8.384 -0.254 1
1 444 . 28 1 1 A 63 63 VAL N N 84 119.230 118.220 1.010 1
1 445 . 28 1 1 A 63 63 VAL HA H 84 3.610 3.780 -0.170 1
1 453 . 28 1 1 A 64 64 ALA H H 85 8.600 8.854 -0.254 1
1 454 . 28 1 1 A 64 64 ALA N N 85 121.750 121.634 0.116 1
1 455 . 28 1 1 A 64 64 ALA HA H 85 4.080 3.966 0.114 1
1 459 . 28 1 1 A 65 65 ALA H H 86 7.690 8.178 -0.488 1
1 460 . 28 1 1 A 65 65 ALA N N 86 117.310 118.995 -1.685 1
1 461 . 28 1 1 A 65 65 ALA HA H 86 3.860 4.042 -0.182 1
1 465 . 28 1 1 A 66 66 TRP H H 87 7.810 8.335 -0.525 1
1 466 . 28 1 1 A 66 66 TRP N N 87 119.230 120.815 -1.585 1
1 467 . 28 1 1 A 66 66 TRP HA H 87 4.180 4.224 -0.044 1
1 476 . 28 1 1 A 67 67 LEU H H 88 9.070 8.876 0.194 1
1 477 . 28 1 1 A 67 67 LEU N N 88 118.630 120.607 -1.977 1
1 478 . 28 1 1 A 67 67 LEU HA H 88 3.760 2.919 0.841 1
1 488 . 28 1 1 A 68 68 ALA H H 89 8.100 8.463 -0.363 1
1 489 . 28 1 1 A 68 68 ALA N N 89 118.030 120.524 -2.494 1
1 490 . 28 1 1 A 68 68 ALA HA H 89 3.780 3.889 -0.109 1
1 494 . 28 1 1 A 69 69 GLU H H 90 6.710 7.953 -1.243 1
1 495 . 28 1 1 A 69 69 GLU N N 90 111.670 117.235 -5.565 1
1 496 . 28 1 1 A 69 69 GLU HA H 90 4.090 4.017 0.073 1
1 501 . 28 1 1 A 70 70 LYS H H 91 7.460 7.225 0.235 1
1 502 . 28 1 1 A 70 70 LYS N N 91 122.830 118.325 4.505 1
1 503 . 28 1 1 A 70 70 LYS HA H 91 3.980 4.068 -0.088 1
1 9 . 29 1 1 A 2 2 ASP H H 23 8.490 8.534 -0.044 1
1 10 . 29 1 1 A 2 2 ASP N N 23 126.550 128.491 -1.941 1
1 11 . 29 1 1 A 2 2 ASP HA H 23 4.480 5.008 -0.528 1
1 14 . 29 1 1 A 3 3 ALA H H 24 8.280 8.559 -0.279 1
1 15 . 29 1 1 A 3 3 ALA N N 24 126.910 127.797 -0.887 1
1 16 . 29 1 1 A 3 3 ALA HA H 24 3.420 3.816 -0.396 1
1 20 . 29 1 1 A 4 4 GLU H H 25 7.590 7.465 0.125 1
1 21 . 29 1 1 A 4 4 GLU N N 25 115.030 115.615 -0.585 1
1 22 . 29 1 1 A 4 4 GLU HA H 25 2.600 2.303 0.297 1
1 27 . 29 1 1 A 5 5 ALA H H 26 7.060 7.700 -0.640 1
1 28 . 29 1 1 A 5 5 ALA N N 26 120.430 121.747 -1.317 1
1 29 . 29 1 1 A 5 5 ALA HA H 26 3.910 3.922 -0.012 1
1 33 . 29 1 1 A 6 6 VAL H H 27 7.550 8.183 -0.633 1
1 34 . 29 1 1 A 6 6 VAL N N 27 118.870 118.680 0.190 1
1 35 . 29 1 1 A 6 6 VAL HA H 27 3.570 3.571 -0.001 1
1 43 . 29 1 1 A 7 7 VAL H H 28 8.090 7.931 0.159 1
1 44 . 29 1 1 A 7 7 VAL N N 28 120.550 119.198 1.352 1
1 45 . 29 1 1 A 7 7 VAL HA H 28 4.010 3.757 0.253 1
1 53 . 29 1 1 A 8 8 GLN H H 29 7.830 8.394 -0.564 1
1 54 . 29 1 1 A 8 8 GLN N N 29 117.070 118.221 -1.151 1
1 55 . 29 1 1 A 8 8 GLN HA H 29 3.860 4.248 -0.388 1
1 63 . 29 1 1 A 9 9 GLN H H 30 7.640 8.459 -0.819 1
1 64 . 29 1 1 A 9 9 GLN N N 30 115.630 119.324 -3.694 1
1 65 . 29 1 1 A 9 9 GLN HA H 30 4.210 4.696 -0.486 1
1 73 . 29 1 1 A 10 10 LYS H H 31 8.760 8.395 0.365 1
1 74 . 29 1 1 A 10 10 LYS N N 31 113.830 117.165 -3.335 1
1 75 . 29 1 1 A 10 10 LYS HA H 31 4.860 4.417 0.443 1
1 83 . 29 1 1 A 11 11 CYS H H 32 8.770 8.309 0.461 1
1 84 . 29 1 1 A 11 11 CYS N N 32 114.980 116.474 -1.494 1
1 85 . 29 1 1 A 11 11 CYS HA H 32 6.040 4.683 1.357 1
1 88 . 29 1 1 A 12 12 ILE H H 33 6.960 8.197 -1.237 1
1 89 . 29 1 1 A 12 12 ILE N N 33 110.470 120.242 -9.772 1
1 90 . 29 1 1 A 12 12 ILE HA H 33 3.200 3.947 -0.747 1
1 97 . 29 1 1 A 13 13 SER H H 34 8.520 8.053 0.467 1
1 98 . 29 1 1 A 13 13 SER N N 34 119.350 117.524 1.826 1
1 99 . 29 1 1 A 13 13 SER HA H 34 3.870 4.127 -0.257 1
1 102 . 29 1 1 A 14 14 CYS H H 35 6.100 8.072 -1.972 1
1 103 . 29 1 1 A 14 14 CYS N N 35 114.670 116.625 -1.955 1
1 104 . 29 1 1 A 14 14 CYS HA H 35 4.370 4.549 -0.179 1
1 107 . 29 1 1 A 15 15 HIS H H 36 6.120 8.128 -2.008 1
1 108 . 29 1 1 A 15 15 HIS N N 36 112.870 116.480 -3.610 1
1 109 . 29 1 1 A 15 15 HIS HA H 36 2.580 4.562 -1.982 1
1 116 . 29 1 1 A 16 16 GLY H H 37 7.080 8.355 -1.275 1
1 117 . 29 1 1 A 16 16 GLY N N 37 106.750 107.337 -0.587 1
1 118 . 29 1 1 A 16 16 GLY HA2 H 37 3.200 3.947 -0.747 1
1 119 . 29 1 1 A 16 16 GLY HA3 H 37 3.920 3.960 -0.040 1
1 120 . 29 1 1 A 17 17 GLY H H 38 8.310 8.450 -0.140 1
1 121 . 29 1 1 A 17 17 GLY N N 38 108.070 111.252 -3.182 1
1 122 . 29 1 1 A 17 17 GLY HA2 H 38 3.440 4.059 -0.619 1
1 123 . 29 1 1 A 17 17 GLY HA3 H 38 3.670 4.069 -0.399 1
1 124 . 29 1 1 A 18 18 ASP H H 39 7.420 8.269 -0.849 1
1 125 . 29 1 1 A 18 18 ASP N N 39 115.870 121.617 -5.747 1
1 126 . 29 1 1 A 18 18 ASP HA H 39 4.460 4.790 -0.330 1
1 129 . 29 1 1 A 19 19 LEU H H 40 7.460 7.987 -0.527 1
1 130 . 29 1 1 A 19 19 LEU N N 40 109.030 117.385 -8.355 1
1 131 . 29 1 1 A 19 19 LEU HA H 40 3.150 4.270 -1.120 1
1 141 . 29 1 1 A 20 20 THR H H 41 7.390 8.216 -0.826 1
1 142 . 29 1 1 A 20 20 THR N N 41 105.670 110.828 -5.158 1
1 143 . 29 1 1 A 20 20 THR HA H 41 3.950 4.301 -0.351 1
1 148 . 29 1 1 A 21 21 GLY H H 42 7.610 7.889 -0.279 1
1 149 . 29 1 1 A 21 21 GLY N N 42 111.310 110.459 0.851 1
1 150 . 29 1 1 A 21 21 GLY HA2 H 42 2.600 4.100 -1.500 1
1 151 . 29 1 1 A 21 21 GLY HA3 H 42 3.980 4.140 -0.160 1
1 152 . 29 1 1 A 22 22 ALA H H 43 7.480 8.411 -0.931 1
1 153 . 29 1 1 A 22 22 ALA N N 43 125.590 121.395 4.195 1
1 154 . 29 1 1 A 22 22 ALA HA H 43 3.980 4.499 -0.519 1
1 158 . 29 1 1 A 23 23 SER H H 44 7.760 8.793 -1.033 1
1 159 . 29 1 1 A 23 23 SER N N 44 118.630 114.447 4.183 1
1 160 . 29 1 1 A 23 23 SER HA H 44 4.080 4.563 -0.483 1
1 163 . 29 1 1 A 24 24 ALA H H 45 7.300 7.215 0.085 1
1 164 . 29 1 1 A 24 24 ALA N N 45 125.110 121.858 3.252 1
1 165 . 29 1 1 A 24 24 ALA HA H 45 4.170 4.715 -0.545 1
1 169 . 29 1 1 A 25 25 PRO HA H 46 3.910 4.633 -0.723 1
1 176 . 29 1 1 A 26 26 ALA H H 47 7.920 8.396 -0.476 1
1 177 . 29 1 1 A 26 26 ALA N N 47 120.310 124.412 -4.102 1
1 178 . 29 1 1 A 26 26 ALA HA H 47 3.370 4.549 -1.179 1
1 182 . 29 1 1 A 27 27 ILE H H 48 7.770 8.575 -0.805 1
1 183 . 29 1 1 A 27 27 ILE N N 48 112.150 118.839 -6.689 1
1 184 . 29 1 1 A 27 27 ILE HA H 48 4.170 4.485 -0.315 1
1 194 . 29 1 1 A 28 28 ASP H H 49 8.250 8.268 -0.018 1
1 195 . 29 1 1 A 28 28 ASP N N 49 119.980 123.131 -3.151 1
1 196 . 29 1 1 A 28 28 ASP HA H 49 3.600 4.136 -0.536 1
1 199 . 29 1 1 A 29 29 LYS H H 50 7.720 7.802 -0.082 1
1 200 . 29 1 1 A 29 29 LYS N N 50 117.430 119.455 -2.025 1
1 201 . 29 1 1 A 29 29 LYS HA H 50 4.220 4.088 0.132 1
1 209 . 29 1 1 A 30 30 ALA H H 51 7.130 8.346 -1.216 1
1 210 . 29 1 1 A 30 30 ALA N N 51 121.030 122.287 -1.257 1
1 211 . 29 1 1 A 30 30 ALA HA H 51 4.240 3.873 0.367 1
1 215 . 29 1 1 A 31 31 GLY H H 52 8.290 8.270 0.020 1
1 216 . 29 1 1 A 31 31 GLY N N 52 103.990 105.396 -1.406 1
1 217 . 29 1 1 A 31 31 GLY HA2 H 52 3.670 3.760 -0.090 1
1 218 . 29 1 1 A 31 31 GLY HA3 H 52 4.370 3.805 0.565 1
1 219 . 29 1 1 A 32 32 ALA H H 53 7.970 7.820 0.150 1
1 220 . 29 1 1 A 32 32 ALA N N 53 120.670 124.569 -3.899 1
1 221 . 29 1 1 A 32 32 ALA HA H 53 4.160 3.969 0.191 1
1 225 . 29 1 1 A 33 33 ASN H H 54 7.490 7.782 -0.292 1
1 226 . 29 1 1 A 33 33 ASN N N 54 113.350 114.193 -0.843 1
1 227 . 29 1 1 A 33 33 ASN HA H 54 4.590 4.473 0.117 1
1 233 . 29 1 1 A 34 34 TYR H H 55 8.070 7.887 0.183 1
1 234 . 29 1 1 A 34 34 TYR N N 55 118.270 115.472 2.798 1
1 235 . 29 1 1 A 34 34 TYR HA H 55 5.020 5.130 -0.110 1
1 240 . 29 1 1 A 35 35 SER H H 56 9.110 8.655 0.455 1
1 241 . 29 1 1 A 35 35 SER N N 56 114.910 116.749 -1.839 1
1 242 . 29 1 1 A 35 35 SER HA H 56 4.560 4.908 -0.348 1
1 245 . 29 1 1 A 36 36 GLU H H 57 9.020 9.131 -0.111 1
1 246 . 29 1 1 A 36 36 GLU N N 57 121.630 124.042 -2.412 1
1 247 . 29 1 1 A 36 36 GLU HA H 57 3.670 4.046 -0.376 1
1 251 . 29 1 1 A 37 37 GLU H H 58 8.680 8.250 0.430 1
1 252 . 29 1 1 A 37 37 GLU N N 58 116.230 119.111 -2.881 1
1 253 . 29 1 1 A 37 37 GLU HA H 58 3.810 4.103 -0.293 1
1 258 . 29 1 1 A 38 38 GLU H H 59 7.710 8.510 -0.800 1
1 259 . 29 1 1 A 38 38 GLU N N 59 120.070 119.991 0.079 1
1 260 . 29 1 1 A 38 38 GLU HA H 59 3.940 3.956 -0.016 1
1 265 . 29 1 1 A 39 39 ILE H H 60 8.370 8.047 0.323 1
1 266 . 29 1 1 A 39 39 ILE N N 60 119.710 120.799 -1.089 1
1 267 . 29 1 1 A 39 39 ILE HA H 60 3.360 3.650 -0.290 1
1 276 . 29 1 1 A 40 40 LEU H H 61 8.380 8.564 -0.184 1
1 277 . 29 1 1 A 40 40 LEU N N 61 119.710 121.369 -1.659 1
1 278 . 29 1 1 A 40 40 LEU HA H 61 3.690 3.976 -0.286 1
1 288 . 29 1 1 A 41 41 ASP H H 62 7.410 8.391 -0.981 1
1 289 . 29 1 1 A 41 41 ASP N N 62 116.590 118.359 -1.769 1
1 290 . 29 1 1 A 41 41 ASP HA H 62 4.010 4.255 -0.245 1
1 293 . 29 1 1 A 42 42 ILE H H 63 7.240 8.263 -1.023 1
1 294 . 29 1 1 A 42 42 ILE N N 63 120.430 118.616 1.814 1
1 295 . 29 1 1 A 42 42 ILE HA H 63 2.540 3.652 -1.112 1
1 305 . 29 1 1 A 43 43 ILE H H 64 7.550 8.561 -1.011 1
1 306 . 29 1 1 A 43 43 ILE N N 64 116.230 121.386 -5.156 1
1 307 . 29 1 1 A 43 43 ILE HA H 64 2.250 3.563 -1.313 1
1 317 . 29 1 1 A 44 44 LEU H H 65 8.560 8.470 0.090 1
1 318 . 29 1 1 A 44 44 LEU N N 65 115.630 118.483 -2.853 1
1 319 . 29 1 1 A 44 44 LEU HA H 65 3.700 4.032 -0.332 1
1 329 . 29 1 1 A 45 45 ASN H H 66 8.200 8.733 -0.533 1
1 330 . 29 1 1 A 45 45 ASN N N 66 112.510 115.126 -2.616 1
1 331 . 29 1 1 A 45 45 ASN HA H 66 4.460 4.770 -0.310 1
1 337 . 29 1 1 A 46 46 GLY H H 67 7.480 7.721 -0.241 1
1 338 . 29 1 1 A 46 46 GLY N N 67 111.910 103.572 8.338 1
1 339 . 29 1 1 A 46 46 GLY HA2 H 67 2.060 4.091 -2.031 1
1 340 . 29 1 1 A 46 46 GLY HA3 H 67 3.210 4.100 -0.890 1
1 341 . 29 1 1 A 47 47 GLN H H 68 6.470 8.078 -1.608 1
1 342 . 29 1 1 A 47 47 GLN N N 68 114.550 119.488 -4.938 1
1 343 . 29 1 1 A 47 47 GLN HA H 68 3.730 4.751 -1.021 1
1 351 . 29 1 1 A 48 48 GLY H H 69 8.680 8.666 0.014 1
1 352 . 29 1 1 A 48 48 GLY N N 69 115.150 112.562 2.588 1
1 353 . 29 1 1 A 48 48 GLY HA2 H 69 3.440 3.794 -0.354 1
1 354 . 29 1 1 A 48 48 GLY HA3 H 69 3.740 3.796 -0.056 1
1 355 . 29 1 1 A 49 49 GLY H H 70 9.620 8.405 1.215 1
1 356 . 29 1 1 A 49 49 GLY N N 70 114.790 113.188 1.602 1
1 357 . 29 1 1 A 49 49 GLY HA2 H 70 3.850 3.957 -0.107 1
1 358 . 29 1 1 A 49 49 GLY HA3 H 70 3.980 3.961 0.019 1
1 359 . 29 1 1 A 50 50 MET H H 71 8.100 8.267 -0.167 1
1 360 . 29 1 1 A 50 50 MET N N 71 125.230 121.389 3.841 1
1 361 . 29 1 1 A 50 50 MET HA H 71 3.060 4.789 -1.729 1
1 369 . 29 1 1 A 51 51 PRO HA H 72 3.740 4.389 -0.649 1
1 373 . 29 1 1 A 52 52 GLY H H 73 7.670 8.298 -0.628 1
1 374 . 29 1 1 A 52 52 GLY N N 73 103.400 109.308 -5.908 1
1 375 . 29 1 1 A 52 52 GLY HA2 H 73 2.660 4.066 -1.406 1
1 376 . 29 1 1 A 52 52 GLY HA3 H 73 3.060 4.075 -1.015 1
1 377 . 29 1 1 A 53 53 GLY H H 74 7.530 9.071 -1.541 1
1 378 . 29 1 1 A 53 53 GLY N N 74 106.030 108.837 -2.807 1
1 379 . 29 1 1 A 53 53 GLY HA2 H 74 3.370 3.929 -0.559 1
1 380 . 29 1 1 A 53 53 GLY HA3 H 74 3.560 3.930 -0.370 1
1 381 . 29 1 1 A 54 54 ILE H H 75 9.500 8.142 1.358 1
1 382 . 29 1 1 A 54 54 ILE N N 75 124.150 118.596 5.554 1
1 383 . 29 1 1 A 54 54 ILE HA H 75 3.370 3.954 -0.584 1
1 393 . 29 1 1 A 55 55 ALA H H 76 6.620 7.616 -0.996 1
1 394 . 29 1 1 A 55 55 ALA N N 76 113.950 120.641 -6.691 1
1 395 . 29 1 1 A 55 55 ALA HA H 76 4.420 4.959 -0.539 1
1 399 . 29 1 1 A 56 56 LYS H H 77 8.420 8.585 -0.165 1
1 400 . 29 1 1 A 56 56 LYS N N 77 114.790 119.586 -4.796 1
1 401 . 29 1 1 A 56 56 LYS HA H 77 4.320 4.774 -0.454 1
1 407 . 29 1 1 A 57 57 GLY H H 78 8.420 8.764 -0.344 1
1 408 . 29 1 1 A 57 57 GLY N N 78 107.590 110.165 -2.575 1
1 409 . 29 1 1 A 57 57 GLY HA2 H 78 3.640 3.907 -0.267 1
1 410 . 29 1 1 A 57 57 GLY HA3 H 78 3.740 3.909 -0.169 1
1 411 . 29 1 1 A 58 58 ALA H H 79 8.690 8.757 -0.067 1
1 412 . 29 1 1 A 58 58 ALA N N 79 127.150 128.464 -1.314 1
1 413 . 29 1 1 A 58 58 ALA HA H 79 4.040 4.042 -0.002 1
1 417 . 29 1 1 A 59 59 GLU H H 80 8.200 8.127 0.073 1
1 418 . 29 1 1 A 59 59 GLU N N 80 117.910 118.265 -0.355 1
1 419 . 29 1 1 A 59 59 GLU HA H 80 3.890 3.983 -0.093 1
1 424 . 29 1 1 A 60 60 ALA H H 81 6.820 7.950 -1.130 1
1 425 . 29 1 1 A 60 60 ALA N N 81 120.190 121.371 -1.181 1
1 426 . 29 1 1 A 60 60 ALA HA H 81 3.520 4.092 -0.572 1
1 430 . 29 1 1 A 61 61 GLU H H 82 7.940 8.477 -0.537 1
1 431 . 29 1 1 A 61 61 GLU N N 82 114.910 118.276 -3.366 1
1 432 . 29 1 1 A 61 61 GLU HA H 82 3.730 4.064 -0.334 1
1 437 . 29 1 1 A 62 62 ALA H H 83 7.910 8.240 -0.330 1
1 438 . 29 1 1 A 62 62 ALA N N 83 120.670 122.391 -1.721 1
1 439 . 29 1 1 A 62 62 ALA HA H 83 4.190 4.148 0.042 1
1 443 . 29 1 1 A 63 63 VAL H H 84 8.130 8.137 -0.007 1
1 444 . 29 1 1 A 63 63 VAL N N 84 119.230 118.067 1.163 1
1 445 . 29 1 1 A 63 63 VAL HA H 84 3.610 3.799 -0.189 1
1 453 . 29 1 1 A 64 64 ALA H H 85 8.600 8.784 -0.184 1
1 454 . 29 1 1 A 64 64 ALA N N 85 121.750 121.253 0.497 1
1 455 . 29 1 1 A 64 64 ALA HA H 85 4.080 3.955 0.125 1
1 459 . 29 1 1 A 65 65 ALA H H 86 7.690 8.290 -0.600 1
1 460 . 29 1 1 A 65 65 ALA N N 86 117.310 118.851 -1.541 1
1 461 . 29 1 1 A 65 65 ALA HA H 86 3.860 4.065 -0.205 1
1 465 . 29 1 1 A 66 66 TRP H H 87 7.810 8.297 -0.487 1
1 466 . 29 1 1 A 66 66 TRP N N 87 119.230 120.691 -1.461 1
1 467 . 29 1 1 A 66 66 TRP HA H 87 4.180 4.210 -0.030 1
1 476 . 29 1 1 A 67 67 LEU H H 88 9.070 8.718 0.352 1
1 477 . 29 1 1 A 67 67 LEU N N 88 118.630 121.020 -2.390 1
1 478 . 29 1 1 A 67 67 LEU HA H 88 3.760 3.598 0.162 1
1 488 . 29 1 1 A 68 68 ALA H H 89 8.100 8.633 -0.533 1
1 489 . 29 1 1 A 68 68 ALA N N 89 118.030 120.197 -2.167 1
1 490 . 29 1 1 A 68 68 ALA HA H 89 3.780 3.993 -0.213 1
1 494 . 29 1 1 A 69 69 GLU H H 90 6.710 7.863 -1.153 1
1 495 . 29 1 1 A 69 69 GLU N N 90 111.670 118.684 -7.014 1
1 496 . 29 1 1 A 69 69 GLU HA H 90 4.090 4.024 0.066 1
1 501 . 29 1 1 A 70 70 LYS H H 91 7.460 7.544 -0.084 1
1 502 . 29 1 1 A 70 70 LYS N N 91 122.830 118.708 4.122 1
1 503 . 29 1 1 A 70 70 LYS HA H 91 3.980 3.998 -0.018 1
1 9 . 30 1 1 A 2 2 ASP H H 23 8.490 8.817 -0.327 1
1 10 . 30 1 1 A 2 2 ASP N N 23 126.550 128.767 -2.217 1
1 11 . 30 1 1 A 2 2 ASP HA H 23 4.480 4.564 -0.084 1
1 14 . 30 1 1 A 3 3 ALA H H 24 8.280 8.579 -0.299 1
1 15 . 30 1 1 A 3 3 ALA N N 24 126.910 128.025 -1.115 1
1 16 . 30 1 1 A 3 3 ALA HA H 24 3.420 3.803 -0.383 1
1 20 . 30 1 1 A 4 4 GLU H H 25 7.590 7.616 -0.026 1
1 21 . 30 1 1 A 4 4 GLU N N 25 115.030 115.854 -0.824 1
1 22 . 30 1 1 A 4 4 GLU HA H 25 2.600 2.348 0.252 1
1 27 . 30 1 1 A 5 5 ALA H H 26 7.060 7.462 -0.402 1
1 28 . 30 1 1 A 5 5 ALA N N 26 120.430 122.147 -1.717 1
1 29 . 30 1 1 A 5 5 ALA HA H 26 3.910 3.908 0.002 1
1 33 . 30 1 1 A 6 6 VAL H H 27 7.550 7.944 -0.394 1
1 34 . 30 1 1 A 6 6 VAL N N 27 118.870 118.869 0.001 1
1 35 . 30 1 1 A 6 6 VAL HA H 27 3.570 3.561 0.009 1
1 43 . 30 1 1 A 7 7 VAL H H 28 8.090 7.758 0.332 1
1 44 . 30 1 1 A 7 7 VAL N N 28 120.550 119.887 0.663 1
1 45 . 30 1 1 A 7 7 VAL HA H 28 4.010 3.766 0.244 1
1 53 . 30 1 1 A 8 8 GLN H H 29 7.830 8.449 -0.619 1
1 54 . 30 1 1 A 8 8 GLN N N 29 117.070 118.780 -1.710 1
1 55 . 30 1 1 A 8 8 GLN HA H 29 3.860 4.268 -0.408 1
1 63 . 30 1 1 A 9 9 GLN H H 30 7.640 8.137 -0.497 1
1 64 . 30 1 1 A 9 9 GLN N N 30 115.630 119.297 -3.667 1
1 65 . 30 1 1 A 9 9 GLN HA H 30 4.210 4.623 -0.413 1
1 73 . 30 1 1 A 10 10 LYS H H 31 8.760 8.505 0.255 1
1 74 . 30 1 1 A 10 10 LYS N N 31 113.830 118.471 -4.641 1
1 75 . 30 1 1 A 10 10 LYS HA H 31 4.860 4.536 0.324 1
1 83 . 30 1 1 A 11 11 CYS H H 32 8.770 8.216 0.554 1
1 84 . 30 1 1 A 11 11 CYS N N 32 114.980 115.971 -0.991 1
1 85 . 30 1 1 A 11 11 CYS HA H 32 6.040 4.711 1.329 1
1 88 . 30 1 1 A 12 12 ILE H H 33 6.960 8.429 -1.469 1
1 89 . 30 1 1 A 12 12 ILE N N 33 110.470 119.904 -9.434 1
1 90 . 30 1 1 A 12 12 ILE HA H 33 3.200 3.948 -0.748 1
1 97 . 30 1 1 A 13 13 SER H H 34 8.520 8.209 0.311 1
1 98 . 30 1 1 A 13 13 SER N N 34 119.350 116.175 3.175 1
1 99 . 30 1 1 A 13 13 SER HA H 34 3.870 4.301 -0.431 1
1 102 . 30 1 1 A 14 14 CYS H H 35 6.100 8.004 -1.904 1
1 103 . 30 1 1 A 14 14 CYS N N 35 114.670 119.189 -4.519 1
1 104 . 30 1 1 A 14 14 CYS HA H 35 4.370 4.542 -0.172 1
1 107 . 30 1 1 A 15 15 HIS H H 36 6.120 8.224 -2.104 1
1 108 . 30 1 1 A 15 15 HIS N N 36 112.870 117.895 -5.025 1
1 109 . 30 1 1 A 15 15 HIS HA H 36 2.580 4.446 -1.866 1
1 116 . 30 1 1 A 16 16 GLY H H 37 7.080 8.301 -1.221 1
1 117 . 30 1 1 A 16 16 GLY N N 37 106.750 106.170 0.580 1
1 118 . 30 1 1 A 16 16 GLY HA2 H 37 3.200 3.970 -0.770 1
1 119 . 30 1 1 A 16 16 GLY HA3 H 37 3.920 3.984 -0.064 1
1 120 . 30 1 1 A 17 17 GLY H H 38 8.310 8.642 -0.332 1
1 121 . 30 1 1 A 17 17 GLY N N 38 108.070 111.711 -3.641 1
1 122 . 30 1 1 A 17 17 GLY HA2 H 38 3.440 4.068 -0.628 1
1 123 . 30 1 1 A 17 17 GLY HA3 H 38 3.670 4.076 -0.406 1
1 124 . 30 1 1 A 18 18 ASP H H 39 7.420 8.071 -0.651 1
1 125 . 30 1 1 A 18 18 ASP N N 39 115.870 121.142 -5.272 1
1 126 . 30 1 1 A 18 18 ASP HA H 39 4.460 4.808 -0.348 1
1 129 . 30 1 1 A 19 19 LEU H H 40 7.460 7.965 -0.505 1
1 130 . 30 1 1 A 19 19 LEU N N 40 109.030 116.299 -7.269 1
1 131 . 30 1 1 A 19 19 LEU HA H 40 3.150 4.157 -1.007 1
1 141 . 30 1 1 A 20 20 THR H H 41 7.390 8.179 -0.789 1
1 142 . 30 1 1 A 20 20 THR N N 41 105.670 111.261 -5.591 1
1 143 . 30 1 1 A 20 20 THR HA H 41 3.950 4.311 -0.361 1
1 148 . 30 1 1 A 21 21 GLY H H 42 7.610 8.133 -0.523 1
1 149 . 30 1 1 A 21 21 GLY N N 42 111.310 110.181 1.129 1
1 150 . 30 1 1 A 21 21 GLY HA2 H 42 2.600 4.064 -1.464 1
1 151 . 30 1 1 A 21 21 GLY HA3 H 42 3.980 4.106 -0.126 1
1 152 . 30 1 1 A 22 22 ALA H H 43 7.480 8.189 -0.709 1
1 153 . 30 1 1 A 22 22 ALA N N 43 125.590 123.141 2.449 1
1 154 . 30 1 1 A 22 22 ALA HA H 43 3.980 4.426 -0.446 1
1 158 . 30 1 1 A 23 23 SER H H 44 7.760 8.274 -0.514 1
1 159 . 30 1 1 A 23 23 SER N N 44 118.630 112.135 6.495 1
1 160 . 30 1 1 A 23 23 SER HA H 44 4.080 4.453 -0.373 1
1 163 . 30 1 1 A 24 24 ALA H H 45 7.300 7.562 -0.262 1
1 164 . 30 1 1 A 24 24 ALA N N 45 125.110 121.251 3.859 1
1 165 . 30 1 1 A 24 24 ALA HA H 45 4.170 4.776 -0.606 1
1 169 . 30 1 1 A 25 25 PRO HA H 46 3.910 4.632 -0.722 1
1 176 . 30 1 1 A 26 26 ALA H H 47 7.920 8.391 -0.471 1
1 177 . 30 1 1 A 26 26 ALA N N 47 120.310 124.462 -4.152 1
1 178 . 30 1 1 A 26 26 ALA HA H 47 3.370 4.415 -1.045 1
1 182 . 30 1 1 A 27 27 ILE H H 48 7.770 8.658 -0.888 1
1 183 . 30 1 1 A 27 27 ILE N N 48 112.150 118.916 -6.766 1
1 184 . 30 1 1 A 27 27 ILE HA H 48 4.170 4.478 -0.308 1
1 194 . 30 1 1 A 28 28 ASP H H 49 8.250 8.247 0.003 1
1 195 . 30 1 1 A 28 28 ASP N N 49 119.980 123.861 -3.881 1
1 196 . 30 1 1 A 28 28 ASP HA H 49 3.600 4.208 -0.608 1
1 199 . 30 1 1 A 29 29 LYS H H 50 7.720 7.724 -0.004 1
1 200 . 30 1 1 A 29 29 LYS N N 50 117.430 117.755 -0.325 1
1 201 . 30 1 1 A 29 29 LYS HA H 50 4.220 4.320 -0.100 1
1 209 . 30 1 1 A 30 30 ALA H H 51 7.130 8.251 -1.121 1
1 210 . 30 1 1 A 30 30 ALA N N 51 121.030 123.008 -1.978 1
1 211 . 30 1 1 A 30 30 ALA HA H 51 4.240 4.022 0.218 1
1 215 . 30 1 1 A 31 31 GLY H H 52 8.290 8.297 -0.007 1
1 216 . 30 1 1 A 31 31 GLY N N 52 103.990 105.773 -1.783 1
1 217 . 30 1 1 A 31 31 GLY HA2 H 52 3.670 3.829 -0.159 1
1 218 . 30 1 1 A 31 31 GLY HA3 H 52 4.370 3.877 0.493 1
1 219 . 30 1 1 A 32 32 ALA H H 53 7.970 8.094 -0.124 1
1 220 . 30 1 1 A 32 32 ALA N N 53 120.670 124.521 -3.851 1
1 221 . 30 1 1 A 32 32 ALA HA H 53 4.160 3.997 0.163 1
1 225 . 30 1 1 A 33 33 ASN H H 54 7.490 7.887 -0.397 1
1 226 . 30 1 1 A 33 33 ASN N N 54 113.350 114.154 -0.804 1
1 227 . 30 1 1 A 33 33 ASN HA H 54 4.590 4.515 0.075 1
1 233 . 30 1 1 A 34 34 TYR H H 55 8.070 8.189 -0.119 1
1 234 . 30 1 1 A 34 34 TYR N N 55 118.270 115.433 2.837 1
1 235 . 30 1 1 A 34 34 TYR HA H 55 5.020 5.363 -0.343 1
1 240 . 30 1 1 A 35 35 SER H H 56 9.110 9.664 -0.554 1
1 241 . 30 1 1 A 35 35 SER N N 56 114.910 119.204 -4.294 1
1 242 . 30 1 1 A 35 35 SER HA H 56 4.560 4.651 -0.091 1
1 245 . 30 1 1 A 36 36 GLU H H 57 9.020 9.007 0.013 1
1 246 . 30 1 1 A 36 36 GLU N N 57 121.630 123.447 -1.817 1
1 247 . 30 1 1 A 36 36 GLU HA H 57 3.670 4.021 -0.351 1
1 251 . 30 1 1 A 37 37 GLU H H 58 8.680 8.303 0.377 1
1 252 . 30 1 1 A 37 37 GLU N N 58 116.230 119.596 -3.366 1
1 253 . 30 1 1 A 37 37 GLU HA H 58 3.810 4.106 -0.296 1
1 258 . 30 1 1 A 38 38 GLU H H 59 7.710 8.308 -0.598 1
1 259 . 30 1 1 A 38 38 GLU N N 59 120.070 119.663 0.407 1
1 260 . 30 1 1 A 38 38 GLU HA H 59 3.940 3.995 -0.055 1
1 265 . 30 1 1 A 39 39 ILE H H 60 8.370 8.022 0.348 1
1 266 . 30 1 1 A 39 39 ILE N N 60 119.710 120.869 -1.159 1
1 267 . 30 1 1 A 39 39 ILE HA H 60 3.360 3.643 -0.283 1
1 276 . 30 1 1 A 40 40 LEU H H 61 8.380 8.537 -0.157 1
1 277 . 30 1 1 A 40 40 LEU N N 61 119.710 121.493 -1.783 1
1 278 . 30 1 1 A 40 40 LEU HA H 61 3.690 3.957 -0.267 1
1 288 . 30 1 1 A 41 41 ASP H H 62 7.410 8.510 -1.100 1
1 289 . 30 1 1 A 41 41 ASP N N 62 116.590 118.415 -1.825 1
1 290 . 30 1 1 A 41 41 ASP HA H 62 4.010 4.253 -0.243 1
1 293 . 30 1 1 A 42 42 ILE H H 63 7.240 8.250 -1.010 1
1 294 . 30 1 1 A 42 42 ILE N N 63 120.430 118.778 1.652 1
1 295 . 30 1 1 A 42 42 ILE HA H 63 2.540 3.678 -1.138 1
1 305 . 30 1 1 A 43 43 ILE H H 64 7.550 8.378 -0.828 1
1 306 . 30 1 1 A 43 43 ILE N N 64 116.230 121.420 -5.190 1
1 307 . 30 1 1 A 43 43 ILE HA H 64 2.250 3.551 -1.301 1
1 317 . 30 1 1 A 44 44 LEU H H 65 8.560 8.491 0.069 1
1 318 . 30 1 1 A 44 44 LEU N N 65 115.630 118.121 -2.491 1
1 319 . 30 1 1 A 44 44 LEU HA H 65 3.700 4.045 -0.345 1
1 329 . 30 1 1 A 45 45 ASN H H 66 8.200 8.352 -0.152 1
1 330 . 30 1 1 A 45 45 ASN N N 66 112.510 114.334 -1.824 1
1 331 . 30 1 1 A 45 45 ASN HA H 66 4.460 4.765 -0.305 1
1 337 . 30 1 1 A 46 46 GLY H H 67 7.480 8.287 -0.807 1
1 338 . 30 1 1 A 46 46 GLY N N 67 111.910 105.394 6.516 1
1 339 . 30 1 1 A 46 46 GLY HA2 H 67 2.060 3.991 -1.931 1
1 340 . 30 1 1 A 46 46 GLY HA3 H 67 3.210 3.999 -0.789 1
1 341 . 30 1 1 A 47 47 GLN H H 68 6.470 8.376 -1.906 1
1 342 . 30 1 1 A 47 47 GLN N N 68 114.550 123.338 -8.788 1
1 343 . 30 1 1 A 47 47 GLN HA H 68 3.730 4.138 -0.408 1
1 351 . 30 1 1 A 48 48 GLY H H 69 8.680 8.770 -0.090 1
1 352 . 30 1 1 A 48 48 GLY N N 69 115.150 111.850 3.300 1
1 353 . 30 1 1 A 48 48 GLY HA2 H 69 3.440 3.761 -0.321 1
1 354 . 30 1 1 A 48 48 GLY HA3 H 69 3.740 3.764 -0.024 1
1 355 . 30 1 1 A 49 49 GLY H H 70 9.620 8.217 1.403 1
1 356 . 30 1 1 A 49 49 GLY N N 70 114.790 108.931 5.859 1
1 357 . 30 1 1 A 49 49 GLY HA2 H 70 3.850 3.977 -0.127 1
1 358 . 30 1 1 A 49 49 GLY HA3 H 70 3.980 3.978 0.002 1
1 359 . 30 1 1 A 50 50 MET H H 71 8.100 8.134 -0.034 1
1 360 . 30 1 1 A 50 50 MET N N 71 125.230 120.875 4.355 1
1 361 . 30 1 1 A 50 50 MET HA H 71 3.060 4.789 -1.729 1
1 369 . 30 1 1 A 51 51 PRO HA H 72 3.740 4.535 -0.795 1
1 373 . 30 1 1 A 52 52 GLY H H 73 7.670 8.636 -0.966 1
1 374 . 30 1 1 A 52 52 GLY N N 73 103.400 107.490 -4.090 1
1 375 . 30 1 1 A 52 52 GLY HA2 H 73 2.660 4.223 -1.563 1
1 376 . 30 1 1 A 52 52 GLY HA3 H 73 3.060 4.228 -1.168 1
1 377 . 30 1 1 A 53 53 GLY H H 74 7.530 9.110 -1.580 1
1 378 . 30 1 1 A 53 53 GLY N N 74 106.030 112.045 -6.015 1
1 379 . 30 1 1 A 53 53 GLY HA2 H 74 3.370 3.966 -0.596 1
1 380 . 30 1 1 A 53 53 GLY HA3 H 74 3.560 3.967 -0.407 1
1 381 . 30 1 1 A 54 54 ILE H H 75 9.500 8.095 1.405 1
1 382 . 30 1 1 A 54 54 ILE N N 75 124.150 118.867 5.283 1
1 383 . 30 1 1 A 54 54 ILE HA H 75 3.370 3.865 -0.495 1
1 393 . 30 1 1 A 55 55 ALA H H 76 6.620 7.547 -0.927 1
1 394 . 30 1 1 A 55 55 ALA N N 76 113.950 119.828 -5.878 1
1 395 . 30 1 1 A 55 55 ALA HA H 76 4.420 4.974 -0.554 1
1 399 . 30 1 1 A 56 56 LYS H H 77 8.420 8.130 0.290 1
1 400 . 30 1 1 A 56 56 LYS N N 77 114.790 119.219 -4.429 1
1 401 . 30 1 1 A 56 56 LYS HA H 77 4.320 4.772 -0.452 1
1 407 . 30 1 1 A 57 57 GLY H H 78 8.420 8.741 -0.321 1
1 408 . 30 1 1 A 57 57 GLY N N 78 107.590 110.080 -2.490 1
1 409 . 30 1 1 A 57 57 GLY HA2 H 78 3.640 3.917 -0.277 1
1 410 . 30 1 1 A 57 57 GLY HA3 H 78 3.740 3.919 -0.179 1
1 411 . 30 1 1 A 58 58 ALA H H 79 8.690 8.756 -0.066 1
1 412 . 30 1 1 A 58 58 ALA N N 79 127.150 128.521 -1.371 1
1 413 . 30 1 1 A 58 58 ALA HA H 79 4.040 4.027 0.013 1
1 417 . 30 1 1 A 59 59 GLU H H 80 8.200 8.110 0.090 1
1 418 . 30 1 1 A 59 59 GLU N N 80 117.910 118.471 -0.561 1
1 419 . 30 1 1 A 59 59 GLU HA H 80 3.890 4.003 -0.113 1
1 424 . 30 1 1 A 60 60 ALA H H 81 6.820 7.726 -0.906 1
1 425 . 30 1 1 A 60 60 ALA N N 81 120.190 121.368 -1.178 1
1 426 . 30 1 1 A 60 60 ALA HA H 81 3.520 4.086 -0.566 1
1 430 . 30 1 1 A 61 61 GLU H H 82 7.940 8.402 -0.462 1
1 431 . 30 1 1 A 61 61 GLU N N 82 114.910 118.251 -3.341 1
1 432 . 30 1 1 A 61 61 GLU HA H 82 3.730 4.023 -0.293 1
1 437 . 30 1 1 A 62 62 ALA H H 83 7.910 8.357 -0.447 1
1 438 . 30 1 1 A 62 62 ALA N N 83 120.670 122.492 -1.822 1
1 439 . 30 1 1 A 62 62 ALA HA H 83 4.190 4.124 0.066 1
1 443 . 30 1 1 A 63 63 VAL H H 84 8.130 8.106 0.024 1
1 444 . 30 1 1 A 63 63 VAL N N 84 119.230 118.118 1.112 1
1 445 . 30 1 1 A 63 63 VAL HA H 84 3.610 3.649 -0.039 1
1 453 . 30 1 1 A 64 64 ALA H H 85 8.600 8.851 -0.251 1
1 454 . 30 1 1 A 64 64 ALA N N 85 121.750 121.605 0.145 1
1 455 . 30 1 1 A 64 64 ALA HA H 85 4.080 3.992 0.088 1
1 459 . 30 1 1 A 65 65 ALA H H 86 7.690 8.356 -0.666 1
1 460 . 30 1 1 A 65 65 ALA N N 86 117.310 119.084 -1.774 1
1 461 . 30 1 1 A 65 65 ALA HA H 86 3.860 4.061 -0.201 1
1 465 . 30 1 1 A 66 66 TRP H H 87 7.810 8.268 -0.458 1
1 466 . 30 1 1 A 66 66 TRP N N 87 119.230 120.846 -1.616 1
1 467 . 30 1 1 A 66 66 TRP HA H 87 4.180 4.290 -0.110 1
1 476 . 30 1 1 A 67 67 LEU H H 88 9.070 9.204 -0.134 1
1 477 . 30 1 1 A 67 67 LEU N N 88 118.630 121.141 -2.511 1
1 478 . 30 1 1 A 67 67 LEU HA H 88 3.760 3.542 0.218 1
1 488 . 30 1 1 A 68 68 ALA H H 89 8.100 8.614 -0.514 1
1 489 . 30 1 1 A 68 68 ALA N N 89 118.030 120.859 -2.829 1
1 490 . 30 1 1 A 68 68 ALA HA H 89 3.780 3.996 -0.216 1
1 494 . 30 1 1 A 69 69 GLU H H 90 6.710 8.538 -1.828 1
1 495 . 30 1 1 A 69 69 GLU N N 90 111.670 116.673 -5.003 1
1 496 . 30 1 1 A 69 69 GLU HA H 90 4.090 4.129 -0.039 1
1 501 . 30 1 1 A 70 70 LYS H H 91 7.460 7.523 -0.063 1
1 502 . 30 1 1 A 70 70 LYS N N 91 122.830 119.290 3.540 1
1 503 . 30 1 1 A 70 70 LYS HA H 91 3.980 3.990 -0.010 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 0 0.000 1
3 1 1 1 "RMS(OBS, PRED)" CB 0 0.000 1
4 1 1 1 "RMS(OBS, PRED)" H 67 0.736 1
5 1 1 1 "RMS(OBS, PRED)" HA 79 0.647 1
6 1 1 1 "RMS(OBS, PRED)" N 67 3.599 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 0 0.000 1
9 1 2 1 "RMS(OBS, PRED)" CB 0 0.000 1
10 1 2 1 "RMS(OBS, PRED)" H 67 0.737 1
11 1 2 1 "RMS(OBS, PRED)" HA 79 0.652 1
12 1 2 1 "RMS(OBS, PRED)" N 67 3.856 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 0 0.000 1
15 1 3 1 "RMS(OBS, PRED)" CB 0 0.000 1
16 1 3 1 "RMS(OBS, PRED)" H 67 0.752 1
17 1 3 1 "RMS(OBS, PRED)" HA 79 0.655 1
18 1 3 1 "RMS(OBS, PRED)" N 67 3.594 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 0 0.000 1
21 1 4 1 "RMS(OBS, PRED)" CB 0 0.000 1
22 1 4 1 "RMS(OBS, PRED)" H 67 0.736 1
23 1 4 1 "RMS(OBS, PRED)" HA 79 0.652 1
24 1 4 1 "RMS(OBS, PRED)" N 67 3.712 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 0 0.000 1
27 1 5 1 "RMS(OBS, PRED)" CB 0 0.000 1
28 1 5 1 "RMS(OBS, PRED)" H 67 0.723 1
29 1 5 1 "RMS(OBS, PRED)" HA 79 0.648 1
30 1 5 1 "RMS(OBS, PRED)" N 67 3.567 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 0 0.000 1
33 1 6 1 "RMS(OBS, PRED)" CB 0 0.000 1
34 1 6 1 "RMS(OBS, PRED)" H 67 0.747 1
35 1 6 1 "RMS(OBS, PRED)" HA 79 0.659 1
36 1 6 1 "RMS(OBS, PRED)" N 67 3.644 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 0 0.000 1
39 1 7 1 "RMS(OBS, PRED)" CB 0 0.000 1
40 1 7 1 "RMS(OBS, PRED)" H 67 0.707 1
41 1 7 1 "RMS(OBS, PRED)" HA 79 0.648 1
42 1 7 1 "RMS(OBS, PRED)" N 67 3.712 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 0 0.000 1
45 1 8 1 "RMS(OBS, PRED)" CB 0 0.000 1
46 1 8 1 "RMS(OBS, PRED)" H 67 0.736 1
47 1 8 1 "RMS(OBS, PRED)" HA 79 0.669 1
48 1 8 1 "RMS(OBS, PRED)" N 67 3.707 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 0 0.000 1
51 1 9 1 "RMS(OBS, PRED)" CB 0 0.000 1
52 1 9 1 "RMS(OBS, PRED)" H 67 0.767 1
53 1 9 1 "RMS(OBS, PRED)" HA 79 0.656 1
54 1 9 1 "RMS(OBS, PRED)" N 67 3.861 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 0 0.000 1
57 1 10 1 "RMS(OBS, PRED)" CB 0 0.000 1
58 1 10 1 "RMS(OBS, PRED)" H 67 0.773 1
59 1 10 1 "RMS(OBS, PRED)" HA 79 0.640 1
60 1 10 1 "RMS(OBS, PRED)" N 67 3.774 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 0 0.000 1
63 1 11 1 "RMS(OBS, PRED)" CB 0 0.000 1
64 1 11 1 "RMS(OBS, PRED)" H 67 0.759 1
65 1 11 1 "RMS(OBS, PRED)" HA 79 0.647 1
66 1 11 1 "RMS(OBS, PRED)" N 67 3.807 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 0 0.000 1
69 1 12 1 "RMS(OBS, PRED)" CB 0 0.000 1
70 1 12 1 "RMS(OBS, PRED)" H 67 0.733 1
71 1 12 1 "RMS(OBS, PRED)" HA 79 0.665 1
72 1 12 1 "RMS(OBS, PRED)" N 67 3.792 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 0 0.000 1
75 1 13 1 "RMS(OBS, PRED)" CB 0 0.000 1
76 1 13 1 "RMS(OBS, PRED)" H 67 0.731 1
77 1 13 1 "RMS(OBS, PRED)" HA 79 0.644 1
78 1 13 1 "RMS(OBS, PRED)" N 67 3.814 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 0 0.000 1
81 1 14 1 "RMS(OBS, PRED)" CB 0 0.000 1
82 1 14 1 "RMS(OBS, PRED)" H 67 0.713 1
83 1 14 1 "RMS(OBS, PRED)" HA 79 0.654 1
84 1 14 1 "RMS(OBS, PRED)" N 67 3.750 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 0 0.000 1
87 1 15 1 "RMS(OBS, PRED)" CB 0 0.000 1
88 1 15 1 "RMS(OBS, PRED)" H 67 0.774 1
89 1 15 1 "RMS(OBS, PRED)" HA 79 0.659 1
90 1 15 1 "RMS(OBS, PRED)" N 67 3.784 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 0 0.000 1
93 1 16 1 "RMS(OBS, PRED)" CB 0 0.000 1
94 1 16 1 "RMS(OBS, PRED)" H 67 0.760 1
95 1 16 1 "RMS(OBS, PRED)" HA 79 0.656 1
96 1 16 1 "RMS(OBS, PRED)" N 67 3.496 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 0 0.000 1
99 1 17 1 "RMS(OBS, PRED)" CB 0 0.000 1
100 1 17 1 "RMS(OBS, PRED)" H 67 0.776 1
101 1 17 1 "RMS(OBS, PRED)" HA 79 0.664 1
102 1 17 1 "RMS(OBS, PRED)" N 67 3.685 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 0 0.000 1
105 1 18 1 "RMS(OBS, PRED)" CB 0 0.000 1
106 1 18 1 "RMS(OBS, PRED)" H 67 0.746 1
107 1 18 1 "RMS(OBS, PRED)" HA 79 0.655 1
108 1 18 1 "RMS(OBS, PRED)" N 67 3.718 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 0 0.000 1
111 1 19 1 "RMS(OBS, PRED)" CB 0 0.000 1
112 1 19 1 "RMS(OBS, PRED)" H 67 0.730 1
113 1 19 1 "RMS(OBS, PRED)" HA 79 0.658 1
114 1 19 1 "RMS(OBS, PRED)" N 67 3.680 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 0 0.000 1
117 1 20 1 "RMS(OBS, PRED)" CB 0 0.000 1
118 1 20 1 "RMS(OBS, PRED)" H 67 0.761 1
119 1 20 1 "RMS(OBS, PRED)" HA 79 0.667 1
120 1 20 1 "RMS(OBS, PRED)" N 67 3.634 1
121 1 21 1 "RMS(OBS, PRED)" C 0 0.000 1
122 1 21 1 "RMS(OBS, PRED)" CA 0 0.000 1
123 1 21 1 "RMS(OBS, PRED)" CB 0 0.000 1
124 1 21 1 "RMS(OBS, PRED)" H 67 0.797 1
125 1 21 1 "RMS(OBS, PRED)" HA 79 0.651 1
126 1 21 1 "RMS(OBS, PRED)" N 67 3.576 1
127 1 22 1 "RMS(OBS, PRED)" C 0 0.000 1
128 1 22 1 "RMS(OBS, PRED)" CA 0 0.000 1
129 1 22 1 "RMS(OBS, PRED)" CB 0 0.000 1
130 1 22 1 "RMS(OBS, PRED)" H 67 0.704 1
131 1 22 1 "RMS(OBS, PRED)" HA 79 0.640 1
132 1 22 1 "RMS(OBS, PRED)" N 67 3.661 1
133 1 23 1 "RMS(OBS, PRED)" C 0 0.000 1
134 1 23 1 "RMS(OBS, PRED)" CA 0 0.000 1
135 1 23 1 "RMS(OBS, PRED)" CB 0 0.000 1
136 1 23 1 "RMS(OBS, PRED)" H 67 0.750 1
137 1 23 1 "RMS(OBS, PRED)" HA 79 0.638 1
138 1 23 1 "RMS(OBS, PRED)" N 67 3.921 1
139 1 24 1 "RMS(OBS, PRED)" C 0 0.000 1
140 1 24 1 "RMS(OBS, PRED)" CA 0 0.000 1
141 1 24 1 "RMS(OBS, PRED)" CB 0 0.000 1
142 1 24 1 "RMS(OBS, PRED)" H 67 0.761 1
143 1 24 1 "RMS(OBS, PRED)" HA 79 0.654 1
144 1 24 1 "RMS(OBS, PRED)" N 67 3.760 1
145 1 25 1 "RMS(OBS, PRED)" C 0 0.000 1
146 1 25 1 "RMS(OBS, PRED)" CA 0 0.000 1
147 1 25 1 "RMS(OBS, PRED)" CB 0 0.000 1
148 1 25 1 "RMS(OBS, PRED)" H 67 0.750 1
149 1 25 1 "RMS(OBS, PRED)" HA 79 0.650 1
150 1 25 1 "RMS(OBS, PRED)" N 67 3.654 1
151 1 26 1 "RMS(OBS, PRED)" C 0 0.000 1
152 1 26 1 "RMS(OBS, PRED)" CA 0 0.000 1
153 1 26 1 "RMS(OBS, PRED)" CB 0 0.000 1
154 1 26 1 "RMS(OBS, PRED)" H 67 0.713 1
155 1 26 1 "RMS(OBS, PRED)" HA 79 0.662 1
156 1 26 1 "RMS(OBS, PRED)" N 67 3.685 1
157 1 27 1 "RMS(OBS, PRED)" C 0 0.000 1
158 1 27 1 "RMS(OBS, PRED)" CA 0 0.000 1
159 1 27 1 "RMS(OBS, PRED)" CB 0 0.000 1
160 1 27 1 "RMS(OBS, PRED)" H 67 0.751 1
161 1 27 1 "RMS(OBS, PRED)" HA 79 0.628 1
162 1 27 1 "RMS(OBS, PRED)" N 67 3.814 1
163 1 28 1 "RMS(OBS, PRED)" C 0 0.000 1
164 1 28 1 "RMS(OBS, PRED)" CA 0 0.000 1
165 1 28 1 "RMS(OBS, PRED)" CB 0 0.000 1
166 1 28 1 "RMS(OBS, PRED)" H 67 0.733 1
167 1 28 1 "RMS(OBS, PRED)" HA 79 0.659 1
168 1 28 1 "RMS(OBS, PRED)" N 67 3.689 1
169 1 29 1 "RMS(OBS, PRED)" C 0 0.000 1
170 1 29 1 "RMS(OBS, PRED)" CA 0 0.000 1
171 1 29 1 "RMS(OBS, PRED)" CB 0 0.000 1
172 1 29 1 "RMS(OBS, PRED)" H 67 0.761 1
173 1 29 1 "RMS(OBS, PRED)" HA 79 0.664 1
174 1 29 1 "RMS(OBS, PRED)" N 67 3.646 1
175 1 30 1 "RMS(OBS, PRED)" C 0 0.000 1
176 1 30 1 "RMS(OBS, PRED)" CA 0 0.000 1
177 1 30 1 "RMS(OBS, PRED)" CB 0 0.000 1
178 1 30 1 "RMS(OBS, PRED)" H 67 0.784 1
179 1 30 1 "RMS(OBS, PRED)" HA 79 0.643 1
180 1 30 1 "RMS(OBS, PRED)" N 67 3.843 1
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.Conformer_type "average"
_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.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_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.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 9 . 1 1 A 2 2 ASP H H 23 8.490 8.736 -0.246 2
1 10 . 1 1 A 2 2 ASP N N 23 126.550 127.996 -1.446 2
1 11 . 1 1 A 2 2 ASP HA H 23 4.480 4.597 -0.117 2
1 14 . 1 1 A 3 3 ALA H H 24 8.280 8.496 -0.216 2
1 15 . 1 1 A 3 3 ALA N N 24 126.910 128.126 -1.216 2
1 16 . 1 1 A 3 3 ALA HA H 24 3.420 3.823 -0.403 2
1 20 . 1 1 A 4 4 GLU H H 25 7.590 7.562 0.028 2
1 21 . 1 1 A 4 4 GLU N N 25 115.030 116.147 -1.117 2
1 22 . 1 1 A 4 4 GLU HA H 25 2.600 2.511 0.089 2
1 27 . 1 1 A 5 5 ALA H H 26 7.060 7.667 -0.607 2
1 28 . 1 1 A 5 5 ALA N N 26 120.430 121.898 -1.468 2
1 29 . 1 1 A 5 5 ALA HA H 26 3.910 3.945 -0.035 2
1 33 . 1 1 A 6 6 VAL H H 27 7.550 8.052 -0.502 2
1 34 . 1 1 A 6 6 VAL N N 27 118.870 118.443 0.427 2
1 35 . 1 1 A 6 6 VAL HA H 27 3.570 3.561 0.010 2
1 43 . 1 1 A 7 7 VAL H H 28 8.090 7.964 0.126 2
1 44 . 1 1 A 7 7 VAL N N 28 120.550 119.457 1.093 2
1 45 . 1 1 A 7 7 VAL HA H 28 4.010 3.747 0.263 2
1 53 . 1 1 A 8 8 GLN H H 29 7.830 8.302 -0.472 2
1 54 . 1 1 A 8 8 GLN N N 29 117.070 118.640 -1.570 2
1 55 . 1 1 A 8 8 GLN HA H 29 3.860 4.252 -0.392 2
1 63 . 1 1 A 9 9 GLN H H 30 7.640 8.208 -0.568 2
1 64 . 1 1 A 9 9 GLN N N 30 115.630 119.133 -3.503 2
1 65 . 1 1 A 9 9 GLN HA H 30 4.210 4.637 -0.427 2
1 73 . 1 1 A 10 10 LYS H H 31 8.760 8.351 0.409 2
1 74 . 1 1 A 10 10 LYS N N 31 113.830 118.037 -4.207 2
1 75 . 1 1 A 10 10 LYS HA H 31 4.860 4.450 0.410 2
1 83 . 1 1 A 11 11 CYS H H 32 8.770 8.323 0.447 2
1 84 . 1 1 A 11 11 CYS N N 32 114.980 116.284 -1.304 2
1 85 . 1 1 A 11 11 CYS HA H 32 6.040 4.651 1.389 2
1 88 . 1 1 A 12 12 ILE H H 33 6.960 8.177 -1.217 2
1 89 . 1 1 A 12 12 ILE N N 33 110.470 120.081 -9.611 2
1 90 . 1 1 A 12 12 ILE HA H 33 3.200 3.950 -0.750 2
1 97 . 1 1 A 13 13 SER H H 34 8.520 8.148 0.372 2
1 98 . 1 1 A 13 13 SER N N 34 119.350 117.166 2.184 2
1 99 . 1 1 A 13 13 SER HA H 34 3.870 4.097 -0.227 2
1 102 . 1 1 A 14 14 CYS H H 35 6.100 8.059 -1.959 2
1 103 . 1 1 A 14 14 CYS N N 35 114.670 117.420 -2.750 2
1 104 . 1 1 A 14 14 CYS HA H 35 4.370 4.553 -0.183 2
1 107 . 1 1 A 15 15 HIS H H 36 6.120 8.215 -2.095 2
1 108 . 1 1 A 15 15 HIS N N 36 112.870 116.747 -3.877 2
1 109 . 1 1 A 15 15 HIS HA H 36 2.580 4.504 -1.924 2
1 116 . 1 1 A 16 16 GLY H H 37 7.080 8.183 -1.103 2
1 117 . 1 1 A 16 16 GLY N N 37 106.750 107.413 -0.663 2
1 118 . 1 1 A 16 16 GLY HA2 H 37 3.200 3.986 -0.786 2
1 119 . 1 1 A 16 16 GLY HA3 H 37 3.920 3.994 -0.074 2
1 120 . 1 1 A 17 17 GLY H H 38 8.310 8.759 -0.449 2
1 121 . 1 1 A 17 17 GLY N N 38 108.070 110.399 -2.329 2
1 122 . 1 1 A 17 17 GLY HA2 H 38 3.440 3.938 -0.498 2
1 123 . 1 1 A 17 17 GLY HA3 H 38 3.670 3.945 -0.275 2
1 124 . 1 1 A 18 18 ASP H H 39 7.420 7.903 -0.483 2
1 125 . 1 1 A 18 18 ASP N N 39 115.870 121.095 -5.225 2
1 126 . 1 1 A 18 18 ASP HA H 39 4.460 4.777 -0.318 2
1 129 . 1 1 A 19 19 LEU H H 40 7.460 8.168 -0.708 2
1 130 . 1 1 A 19 19 LEU N N 40 109.030 116.545 -7.515 2
1 131 . 1 1 A 19 19 LEU HA H 40 3.150 4.141 -0.991 2
1 141 . 1 1 A 20 20 THR H H 41 7.390 8.184 -0.794 2
1 142 . 1 1 A 20 20 THR N N 41 105.670 111.120 -5.450 2
1 143 . 1 1 A 20 20 THR HA H 41 3.950 4.323 -0.373 2
1 148 . 1 1 A 21 21 GLY H H 42 7.610 8.120 -0.510 2
1 149 . 1 1 A 21 21 GLY N N 42 111.310 110.258 1.052 2
1 150 . 1 1 A 21 21 GLY HA2 H 42 2.600 4.075 -1.475 2
1 151 . 1 1 A 21 21 GLY HA3 H 42 3.980 4.113 -0.133 2
1 152 . 1 1 A 22 22 ALA H H 43 7.480 8.156 -0.676 2
1 153 . 1 1 A 22 22 ALA N N 43 125.590 123.797 1.793 2
1 154 . 1 1 A 22 22 ALA HA H 43 3.980 4.360 -0.380 2
1 158 . 1 1 A 23 23 SER H H 44 7.760 8.291 -0.531 2
1 159 . 1 1 A 23 23 SER N N 44 118.630 112.603 6.027 2
1 160 . 1 1 A 23 23 SER HA H 44 4.080 4.521 -0.441 2
1 163 . 1 1 A 24 24 ALA H H 45 7.300 7.548 -0.248 2
1 164 . 1 1 A 24 24 ALA N N 45 125.110 121.452 3.658 2
1 165 . 1 1 A 24 24 ALA HA H 45 4.170 4.748 -0.578 2
1 169 . 1 1 A 25 25 PRO HA H 46 3.910 4.631 -0.721 2
1 176 . 1 1 A 26 26 ALA H H 47 7.920 8.385 -0.465 2
1 177 . 1 1 A 26 26 ALA N N 47 120.310 124.607 -4.297 2
1 178 . 1 1 A 26 26 ALA HA H 47 3.370 4.486 -1.116 2
1 182 . 1 1 A 27 27 ILE H H 48 7.770 8.571 -0.801 2
1 183 . 1 1 A 27 27 ILE N N 48 112.150 118.956 -6.806 2
1 184 . 1 1 A 27 27 ILE HA H 48 4.170 4.514 -0.344 2
1 194 . 1 1 A 28 28 ASP H H 49 8.250 8.428 -0.178 2
1 195 . 1 1 A 28 28 ASP N N 49 119.980 123.778 -3.798 2
1 196 . 1 1 A 28 28 ASP HA H 49 3.600 4.229 -0.629 2
1 199 . 1 1 A 29 29 LYS H H 50 7.720 7.795 -0.075 2
1 200 . 1 1 A 29 29 LYS N N 50 117.430 117.620 -0.190 2
1 201 . 1 1 A 29 29 LYS HA H 50 4.220 4.290 -0.070 2
1 209 . 1 1 A 30 30 ALA H H 51 7.130 8.178 -1.048 2
1 210 . 1 1 A 30 30 ALA N N 51 121.030 123.067 -2.037 2
1 211 . 1 1 A 30 30 ALA HA H 51 4.240 3.932 0.308 2
1 215 . 1 1 A 31 31 GLY H H 52 8.290 8.294 -0.004 2
1 216 . 1 1 A 31 31 GLY N N 52 103.990 105.763 -1.773 2
1 217 . 1 1 A 31 31 GLY HA2 H 52 3.670 3.765 -0.095 2
1 218 . 1 1 A 31 31 GLY HA3 H 52 4.370 3.813 0.557 2
1 219 . 1 1 A 32 32 ALA H H 53 7.970 8.055 -0.085 2
1 220 . 1 1 A 32 32 ALA N N 53 120.670 124.623 -3.953 2
1 221 . 1 1 A 32 32 ALA HA H 53 4.160 3.940 0.220 2
1 225 . 1 1 A 33 33 ASN H H 54 7.490 7.827 -0.337 2
1 226 . 1 1 A 33 33 ASN N N 54 113.350 114.227 -0.877 2
1 227 . 1 1 A 33 33 ASN HA H 54 4.590 4.483 0.107 2
1 233 . 1 1 A 34 34 TYR H H 55 8.070 7.963 0.107 2
1 234 . 1 1 A 34 34 TYR N N 55 118.270 115.614 2.656 2
1 235 . 1 1 A 34 34 TYR HA H 55 5.020 5.240 -0.220 2
1 240 . 1 1 A 35 35 SER H H 56 9.110 9.164 -0.054 2
1 241 . 1 1 A 35 35 SER N N 56 114.910 118.310 -3.400 2
1 242 . 1 1 A 35 35 SER HA H 56 4.560 4.751 -0.191 2
1 245 . 1 1 A 36 36 GLU H H 57 9.020 9.085 -0.065 2
1 246 . 1 1 A 36 36 GLU N N 57 121.630 123.300 -1.670 2
1 247 . 1 1 A 36 36 GLU HA H 57 3.670 4.049 -0.379 2
1 251 . 1 1 A 37 37 GLU H H 58 8.680 8.326 0.354 2
1 252 . 1 1 A 37 37 GLU N N 58 116.230 119.311 -3.081 2
1 253 . 1 1 A 37 37 GLU HA H 58 3.810 4.097 -0.287 2
1 258 . 1 1 A 38 38 GLU H H 59 7.710 8.141 -0.431 2
1 259 . 1 1 A 38 38 GLU N N 59 120.070 119.717 0.353 2
1 260 . 1 1 A 38 38 GLU HA H 59 3.940 3.996 -0.056 2
1 265 . 1 1 A 39 39 ILE H H 60 8.370 8.069 0.301 2
1 266 . 1 1 A 39 39 ILE N N 60 119.710 120.899 -1.189 2
1 267 . 1 1 A 39 39 ILE HA H 60 3.360 3.654 -0.294 2
1 276 . 1 1 A 40 40 LEU H H 61 8.380 8.527 -0.147 2
1 277 . 1 1 A 40 40 LEU N N 61 119.710 121.373 -1.663 2
1 278 . 1 1 A 40 40 LEU HA H 61 3.690 3.970 -0.280 2
1 288 . 1 1 A 41 41 ASP H H 62 7.410 8.424 -1.014 2
1 289 . 1 1 A 41 41 ASP N N 62 116.590 118.159 -1.569 2
1 290 . 1 1 A 41 41 ASP HA H 62 4.010 4.306 -0.296 2
1 293 . 1 1 A 42 42 ILE H H 63 7.240 8.212 -0.972 2
1 294 . 1 1 A 42 42 ILE N N 63 120.430 118.806 1.624 2
1 295 . 1 1 A 42 42 ILE HA H 63 2.540 3.686 -1.146 2
1 305 . 1 1 A 43 43 ILE H H 64 7.550 8.535 -0.985 2
1 306 . 1 1 A 43 43 ILE N N 64 116.230 121.269 -5.039 2
1 307 . 1 1 A 43 43 ILE HA H 64 2.250 3.554 -1.304 2
1 317 . 1 1 A 44 44 LEU H H 65 8.560 8.497 0.063 2
1 318 . 1 1 A 44 44 LEU N N 65 115.630 118.472 -2.842 2
1 319 . 1 1 A 44 44 LEU HA H 65 3.700 4.002 -0.302 2
1 329 . 1 1 A 45 45 ASN H H 66 8.200 8.559 -0.359 2
1 330 . 1 1 A 45 45 ASN N N 66 112.510 114.801 -2.291 2
1 331 . 1 1 A 45 45 ASN HA H 66 4.460 4.703 -0.243 2
1 337 . 1 1 A 46 46 GLY H H 67 7.480 7.931 -0.451 2
1 338 . 1 1 A 46 46 GLY N N 67 111.910 104.417 7.493 2
1 339 . 1 1 A 46 46 GLY HA2 H 67 2.060 4.080 -2.020 2
1 340 . 1 1 A 46 46 GLY HA3 H 67 3.210 4.090 -0.880 2
1 341 . 1 1 A 47 47 GLN H H 68 6.470 8.186 -1.716 2
1 342 . 1 1 A 47 47 GLN N N 68 114.550 120.472 -5.922 2
1 343 . 1 1 A 47 47 GLN HA H 68 3.730 4.613 -0.883 2
1 351 . 1 1 A 48 48 GLY H H 69 8.680 8.818 -0.138 2
1 352 . 1 1 A 48 48 GLY N N 69 115.150 112.959 2.191 2
1 353 . 1 1 A 48 48 GLY HA2 H 69 3.440 3.803 -0.363 2
1 354 . 1 1 A 48 48 GLY HA3 H 69 3.740 3.806 -0.066 2
1 355 . 1 1 A 49 49 GLY H H 70 9.620 8.419 1.201 2
1 356 . 1 1 A 49 49 GLY N N 70 114.790 111.098 3.692 2
1 357 . 1 1 A 49 49 GLY HA2 H 70 3.850 3.953 -0.103 2
1 358 . 1 1 A 49 49 GLY HA3 H 70 3.980 3.957 0.023 2
1 359 . 1 1 A 50 50 MET H H 71 8.100 8.070 0.030 2
1 360 . 1 1 A 50 50 MET N N 71 125.230 120.771 4.459 2
1 361 . 1 1 A 50 50 MET HA H 71 3.060 4.780 -1.720 2
1 369 . 1 1 A 51 51 PRO HA H 72 3.740 4.439 -0.699 2
1 373 . 1 1 A 52 52 GLY H H 73 7.670 8.337 -0.667 2
1 374 . 1 1 A 52 52 GLY N N 73 103.400 108.919 -5.519 2
1 375 . 1 1 A 52 52 GLY HA2 H 73 2.660 4.060 -1.400 2
1 376 . 1 1 A 52 52 GLY HA3 H 73 3.060 4.068 -1.008 2
1 377 . 1 1 A 53 53 GLY H H 74 7.530 8.980 -1.450 2
1 378 . 1 1 A 53 53 GLY N N 74 106.030 109.618 -3.588 2
1 379 . 1 1 A 53 53 GLY HA2 H 74 3.370 3.954 -0.584 2
1 380 . 1 1 A 53 53 GLY HA3 H 74 3.560 3.956 -0.396 2
1 381 . 1 1 A 54 54 ILE H H 75 9.500 8.112 1.388 2
1 382 . 1 1 A 54 54 ILE N N 75 124.150 119.169 4.981 2
1 383 . 1 1 A 54 54 ILE HA H 75 3.370 3.901 -0.531 2
1 393 . 1 1 A 55 55 ALA H H 76 6.620 7.584 -0.964 2
1 394 . 1 1 A 55 55 ALA N N 76 113.950 120.397 -6.447 2
1 395 . 1 1 A 55 55 ALA HA H 76 4.420 4.949 -0.529 2
1 399 . 1 1 A 56 56 LYS H H 77 8.420 8.656 -0.236 2
1 400 . 1 1 A 56 56 LYS N N 77 114.790 119.603 -4.813 2
1 401 . 1 1 A 56 56 LYS HA H 77 4.320 4.819 -0.499 2
1 407 . 1 1 A 57 57 GLY H H 78 8.420 8.750 -0.330 2
1 408 . 1 1 A 57 57 GLY N N 78 107.590 110.138 -2.548 2
1 409 . 1 1 A 57 57 GLY HA2 H 78 3.640 3.918 -0.278 2
1 410 . 1 1 A 57 57 GLY HA3 H 78 3.740 3.920 -0.180 2
1 411 . 1 1 A 58 58 ALA H H 79 8.690 8.732 -0.042 2
1 412 . 1 1 A 58 58 ALA N N 79 127.150 128.406 -1.256 2
1 413 . 1 1 A 58 58 ALA HA H 79 4.040 4.060 -0.020 2
1 417 . 1 1 A 59 59 GLU H H 80 8.200 8.048 0.152 2
1 418 . 1 1 A 59 59 GLU N N 80 117.910 118.197 -0.287 2
1 419 . 1 1 A 59 59 GLU HA H 80 3.890 4.003 -0.113 2
1 424 . 1 1 A 60 60 ALA H H 81 6.820 7.848 -1.028 2
1 425 . 1 1 A 60 60 ALA N N 81 120.190 121.094 -0.904 2
1 426 . 1 1 A 60 60 ALA HA H 81 3.520 4.102 -0.582 2
1 430 . 1 1 A 61 61 GLU H H 82 7.940 8.451 -0.511 2
1 431 . 1 1 A 61 61 GLU N N 82 114.910 118.456 -3.546 2
1 432 . 1 1 A 61 61 GLU HA H 82 3.730 4.056 -0.326 2
1 437 . 1 1 A 62 62 ALA H H 83 7.910 8.217 -0.307 2
1 438 . 1 1 A 62 62 ALA N N 83 120.670 122.339 -1.669 2
1 439 . 1 1 A 62 62 ALA HA H 83 4.190 4.128 0.062 2
1 443 . 1 1 A 63 63 VAL H H 84 8.130 8.280 -0.150 2
1 444 . 1 1 A 63 63 VAL N N 84 119.230 118.224 1.006 2
1 445 . 1 1 A 63 63 VAL HA H 84 3.610 3.774 -0.164 2
1 453 . 1 1 A 64 64 ALA H H 85 8.600 8.846 -0.246 2
1 454 . 1 1 A 64 64 ALA N N 85 121.750 121.529 0.221 2
1 455 . 1 1 A 64 64 ALA HA H 85 4.080 3.965 0.115 2
1 459 . 1 1 A 65 65 ALA H H 86 7.690 8.193 -0.503 2
1 460 . 1 1 A 65 65 ALA N N 86 117.310 118.989 -1.679 2
1 461 . 1 1 A 65 65 ALA HA H 86 3.860 4.054 -0.194 2
1 465 . 1 1 A 66 66 TRP H H 87 7.810 8.318 -0.508 2
1 466 . 1 1 A 66 66 TRP N N 87 119.230 120.853 -1.623 2
1 467 . 1 1 A 66 66 TRP HA H 87 4.180 4.240 -0.060 2
1 476 . 1 1 A 67 67 LEU H H 88 9.070 8.797 0.273 2
1 477 . 1 1 A 67 67 LEU N N 88 118.630 120.915 -2.285 2
1 478 . 1 1 A 67 67 LEU HA H 88 3.760 3.455 0.305 2
1 488 . 1 1 A 68 68 ALA H H 89 8.100 8.589 -0.489 2
1 489 . 1 1 A 68 68 ALA N N 89 118.030 120.984 -2.954 2
1 490 . 1 1 A 68 68 ALA HA H 89 3.780 3.925 -0.145 2
1 494 . 1 1 A 69 69 GLU H H 90 6.710 8.059 -1.349 2
1 495 . 1 1 A 69 69 GLU N N 90 111.670 117.810 -6.140 2
1 496 . 1 1 A 69 69 GLU HA H 90 4.090 4.051 0.039 2
1 501 . 1 1 A 70 70 LYS H H 91 7.460 7.549 -0.089 2
1 502 . 1 1 A 70 70 LYS N N 91 122.830 118.952 3.878 2
1 503 . 1 1 A 70 70 LYS HA H 91 3.980 3.964 0.016 2
stop_
save_