data_15543_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15543
_Entry.PDB_ID 2JX2
_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 20
_Entity_delta_chem_shifts.Best_conformer 1
_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 17 . 1 1 1 A 37 37 ARG H H 37 8.370 7.849 0.521 1
1 18 . 1 1 1 A 37 37 ARG N N 37 121.030 119.597 1.433 1
1 19 . 1 1 1 A 38 38 LYS H H 38 8.150 8.591 -0.441 1
1 20 . 1 1 1 A 38 38 LYS HA H 38 4.750 4.875 -0.125 1
1 25 . 1 1 1 A 38 38 LYS CA C 38 54.190 54.867 -0.677 1
1 26 . 1 1 1 A 38 38 LYS CB C 38 35.040 35.915 -0.875 1
1 27 . 1 1 1 A 38 38 LYS N N 38 119.860 120.781 -0.921 1
1 28 . 1 1 1 A 39 39 GLY H H 39 8.710 8.724 -0.014 1
1 29 . 1 1 1 A 39 39 GLY HA3 H 39 4.050 4.220 -0.170 1
1 30 . 1 1 1 A 39 39 GLY CA C 39 45.460 45.633 -0.173 1
1 31 . 1 1 1 A 39 39 GLY N N 39 107.990 108.318 -0.328 1
1 32 . 1 1 1 A 40 40 ASN H H 40 8.300 9.962 -1.662 1
1 33 . 1 1 1 A 40 40 ASN HA H 40 4.850 5.072 -0.222 1
1 38 . 1 1 1 A 40 40 ASN CA C 40 54.110 52.168 1.942 1
1 39 . 1 1 1 A 40 40 ASN CB C 40 37.840 38.946 -1.106 1
1 40 . 1 1 1 A 40 40 ASN N N 40 115.650 123.542 -7.892 1
1 42 . 1 1 1 A 41 41 THR HA H 41 5.400 4.834 0.566 1
1 47 . 1 1 1 A 41 41 THR CA C 41 63.410 63.849 -0.439 1
1 48 . 1 1 1 A 41 41 THR CB C 41 69.930 69.226 0.704 1
1 50 . 1 1 1 A 42 42 LEU H H 42 9.900 9.226 0.674 1
1 51 . 1 1 1 A 42 42 LEU HA H 42 5.090 5.265 -0.175 1
1 61 . 1 1 1 A 42 42 LEU CA C 42 53.260 53.779 -0.519 1
1 62 . 1 1 1 A 42 42 LEU CB C 42 43.590 44.727 -1.137 1
1 66 . 1 1 1 A 42 42 LEU N N 42 127.870 126.664 1.206 1
1 67 . 1 1 1 A 43 43 TYR H H 43 9.190 8.874 0.316 1
1 68 . 1 1 1 A 43 43 TYR HA H 43 4.420 4.758 -0.338 1
1 71 . 1 1 1 A 43 43 TYR CB C 43 40.310 40.237 0.073 1
1 72 . 1 1 1 A 43 43 TYR N N 43 124.140 124.947 -0.807 1
1 73 . 1 1 1 A 44 44 VAL H H 44 7.980 8.337 -0.357 1
1 74 . 1 1 1 A 44 44 VAL HA H 44 4.810 4.784 0.026 1
1 82 . 1 1 1 A 44 44 VAL CA C 44 59.320 60.939 -1.619 1
1 83 . 1 1 1 A 44 44 VAL CB C 44 34.360 34.698 -0.338 1
1 86 . 1 1 1 A 44 44 VAL N N 44 127.360 127.546 -0.186 1
1 87 . 1 1 1 A 45 45 TYR H H 45 9.020 8.835 0.185 1
1 88 . 1 1 1 A 45 45 TYR HA H 45 4.980 5.299 -0.319 1
1 94 . 1 1 1 A 45 45 TYR CA C 45 55.680 55.572 0.108 1
1 95 . 1 1 1 A 45 45 TYR CB C 45 42.210 41.638 0.572 1
1 96 . 1 1 1 A 45 45 TYR N N 45 126.390 128.416 -2.026 1
1 97 . 1 1 1 A 46 46 GLY H H 46 7.510 7.319 0.191 1
1 98 . 1 1 1 A 46 46 GLY HA2 H 46 3.830 3.996 -0.166 1
1 99 . 1 1 1 A 46 46 GLY HA3 H 46 3.830 4.022 -0.192 1
1 100 . 1 1 1 A 46 46 GLY CA C 46 45.360 45.845 -0.485 1
1 101 . 1 1 1 A 46 46 GLY N N 46 114.220 111.641 2.579 1
1 102 . 1 1 1 A 47 47 GLU H H 47 8.750 8.620 0.130 1
1 103 . 1 1 1 A 47 47 GLU HA H 47 3.990 4.631 -0.641 1
1 108 . 1 1 1 A 47 47 GLU CA C 47 56.720 54.710 2.010 1
1 109 . 1 1 1 A 47 47 GLU CB C 47 30.460 32.784 -2.324 1
1 111 . 1 1 1 A 47 47 GLU N N 47 123.880 119.693 4.187 1
1 112 . 1 1 1 A 48 48 ASP H H 48 8.540 8.638 -0.098 1
1 113 . 1 1 1 A 48 48 ASP HA H 48 4.250 4.042 0.208 1
1 116 . 1 1 1 A 48 48 ASP CA C 48 55.210 55.052 0.158 1
1 117 . 1 1 1 A 48 48 ASP CB C 48 39.150 39.487 -0.337 1
1 118 . 1 1 1 A 48 48 ASP N N 48 117.200 117.943 -0.743 1
1 119 . 1 1 1 A 49 49 MET H H 49 8.190 7.946 0.244 1
1 120 . 1 1 1 A 49 49 MET HA H 49 4.120 4.818 -0.698 1
1 126 . 1 1 1 A 49 49 MET CA C 49 57.510 54.438 3.072 1
1 127 . 1 1 1 A 49 49 MET CB C 49 34.620 33.981 0.639 1
1 129 . 1 1 1 A 49 49 MET N N 49 114.560 117.719 -3.159 1
1 130 . 1 1 1 A 50 50 THR H H 50 6.510 8.633 -2.123 1
1 131 . 1 1 1 A 50 50 THR HA H 50 5.020 4.908 0.112 1
1 136 . 1 1 1 A 50 50 THR CA C 50 57.960 58.569 -0.609 1
1 137 . 1 1 1 A 50 50 THR CB C 50 70.150 69.939 0.211 1
1 139 . 1 1 1 A 50 50 THR N N 50 108.060 114.512 -6.452 1
1 140 . 1 1 1 A 51 51 PRO HA H 51 4.340 4.257 0.083 1
1 146 . 1 1 1 A 51 51 PRO CA C 51 65.790 65.608 0.182 1
1 147 . 1 1 1 A 51 51 PRO CB C 51 31.780 31.808 -0.028 1
1 150 . 1 1 1 A 52 52 THR H H 52 7.640 7.761 -0.121 1
1 151 . 1 1 1 A 52 52 THR HA H 52 3.980 4.021 -0.041 1
1 156 . 1 1 1 A 52 52 THR CA C 52 66.160 65.668 0.492 1
1 157 . 1 1 1 A 52 52 THR CB C 52 68.430 68.236 0.194 1
1 159 . 1 1 1 A 52 52 THR N N 52 111.520 112.086 -0.566 1
1 160 . 1 1 1 A 53 53 LEU H H 53 7.810 8.111 -0.301 1
1 161 . 1 1 1 A 53 53 LEU HA H 53 4.130 4.064 0.066 1
1 171 . 1 1 1 A 53 53 LEU CA C 53 58.360 58.423 -0.063 1
1 172 . 1 1 1 A 53 53 LEU CB C 53 42.970 41.782 1.188 1
1 176 . 1 1 1 A 53 53 LEU N N 53 125.410 121.824 3.586 1
1 177 . 1 1 1 A 54 54 LEU H H 54 7.840 8.107 -0.267 1
1 178 . 1 1 1 A 54 54 LEU HA H 54 4.260 4.021 0.239 1
1 188 . 1 1 1 A 54 54 LEU CA C 54 57.580 58.134 -0.554 1
1 189 . 1 1 1 A 54 54 LEU CB C 54 42.330 41.280 1.050 1
1 193 . 1 1 1 A 54 54 LEU N N 54 117.150 118.777 -1.627 1
1 194 . 1 1 1 A 55 55 ARG H H 55 9.020 8.639 0.381 1
1 195 . 1 1 1 A 55 55 ARG HA H 55 3.880 4.012 -0.132 1
1 202 . 1 1 1 A 55 55 ARG CA C 55 60.890 59.854 1.036 1
1 203 . 1 1 1 A 55 55 ARG CB C 55 29.580 29.922 -0.342 1
1 206 . 1 1 1 A 55 55 ARG N N 55 120.050 119.273 0.777 1
1 207 . 1 1 1 A 56 56 GLY H H 56 8.180 8.114 0.066 1
1 208 . 1 1 1 A 56 56 GLY HA2 H 56 3.940 3.881 0.059 1
1 209 . 1 1 1 A 56 56 GLY HA3 H 56 4.100 3.902 0.198 1
1 210 . 1 1 1 A 56 56 GLY CA C 56 47.210 47.089 0.121 1
1 211 . 1 1 1 A 56 56 GLY N N 56 106.700 107.120 -0.420 1
1 212 . 1 1 1 A 57 57 ALA H H 57 7.830 7.859 -0.029 1
1 213 . 1 1 1 A 57 57 ALA HA H 57 4.360 4.076 0.284 1
1 217 . 1 1 1 A 57 57 ALA CA C 57 53.590 54.072 -0.482 1
1 218 . 1 1 1 A 57 57 ALA CB C 57 19.050 18.204 0.846 1
1 219 . 1 1 1 A 57 57 ALA N N 57 120.270 124.681 -4.411 1
1 220 . 1 1 1 A 58 58 PHE H H 58 8.600 7.955 0.645 1
1 221 . 1 1 1 A 58 58 PHE HA H 58 4.790 5.495 -0.705 1
1 227 . 1 1 1 A 58 58 PHE CA C 58 60.210 57.739 2.471 1
1 228 . 1 1 1 A 58 58 PHE CB C 58 38.390 39.772 -1.382 1
1 229 . 1 1 1 A 58 58 PHE N N 58 110.250 117.027 -6.777 1
1 230 . 1 1 1 A 59 59 SER H H 59 8.610 7.971 0.639 1
1 231 . 1 1 1 A 59 59 SER HA H 59 4.810 4.355 0.455 1
1 234 . 1 1 1 A 59 59 SER CA C 59 63.540 63.005 0.535 1
1 235 . 1 1 1 A 59 59 SER CB C 59 62.910 62.680 0.230 1
1 236 . 1 1 1 A 59 59 SER N N 59 122.860 116.833 6.027 1
1 237 . 1 1 1 A 60 60 PRO HA H 60 4.280 4.342 -0.062 1
1 244 . 1 1 1 A 60 60 PRO CA C 60 65.680 65.641 0.039 1
1 245 . 1 1 1 A 60 60 PRO CB C 60 31.420 30.697 0.723 1
1 248 . 1 1 1 A 61 61 PHE H H 61 6.850 8.710 -1.860 1
1 249 . 1 1 1 A 61 61 PHE HA H 61 4.510 4.221 0.289 1
1 257 . 1 1 1 A 61 61 PHE CA C 61 58.310 60.469 -2.159 1
1 258 . 1 1 1 A 61 61 PHE CB C 61 38.920 38.792 0.128 1
1 259 . 1 1 1 A 61 61 PHE N N 61 109.700 116.632 -6.932 1
1 260 . 1 1 1 A 62 62 GLY H H 62 7.800 7.493 0.307 1
1 261 . 1 1 1 A 62 62 GLY HA2 H 62 4.090 3.948 0.142 1
1 262 . 1 1 1 A 62 62 GLY HA3 H 62 4.290 4.093 0.197 1
1 263 . 1 1 1 A 62 62 GLY CA C 62 45.290 45.871 -0.581 1
1 264 . 1 1 1 A 62 62 GLY N N 62 106.520 103.869 2.651 1
1 265 . 1 1 1 A 63 63 ASN H H 63 8.520 8.591 -0.071 1
1 266 . 1 1 1 A 63 63 ASN HA H 63 4.920 5.427 -0.507 1
1 271 . 1 1 1 A 63 63 ASN CA C 63 52.930 52.614 0.316 1
1 272 . 1 1 1 A 63 63 ASN CB C 63 38.630 40.407 -1.777 1
1 273 . 1 1 1 A 63 63 ASN N N 63 117.020 118.662 -1.642 1
1 275 . 1 1 1 A 64 64 ILE H H 64 8.750 9.037 -0.287 1
1 276 . 1 1 1 A 64 64 ILE HA H 64 4.100 4.950 -0.850 1
1 286 . 1 1 1 A 64 64 ILE CA C 64 61.940 60.355 1.585 1
1 287 . 1 1 1 A 64 64 ILE CB C 64 38.780 39.313 -0.533 1
1 291 . 1 1 1 A 64 64 ILE N N 64 127.930 124.905 3.025 1
1 292 . 1 1 1 A 65 65 ILE H H 65 8.910 8.607 0.303 1
1 293 . 1 1 1 A 65 65 ILE HA H 65 4.490 4.379 0.111 1
1 303 . 1 1 1 A 65 65 ILE CA C 65 61.310 61.519 -0.209 1
1 304 . 1 1 1 A 65 65 ILE CB C 65 38.470 38.844 -0.374 1
1 308 . 1 1 1 A 65 65 ILE N N 65 124.530 122.678 1.852 1
1 309 . 1 1 1 A 66 66 ASP H H 66 7.520 7.779 -0.259 1
1 310 . 1 1 1 A 66 66 ASP HA H 66 4.700 4.939 -0.239 1
1 313 . 1 1 1 A 66 66 ASP CA C 66 55.520 54.251 1.269 1
1 314 . 1 1 1 A 66 66 ASP CB C 66 45.290 42.746 2.544 1
1 315 . 1 1 1 A 66 66 ASP N N 66 119.140 120.899 -1.759 1
1 316 . 1 1 1 A 67 67 LEU H H 67 8.230 8.954 -0.724 1
1 317 . 1 1 1 A 67 67 LEU HA H 67 4.980 5.227 -0.247 1
1 326 . 1 1 1 A 67 67 LEU CA C 67 54.980 53.330 1.650 1
1 327 . 1 1 1 A 67 67 LEU CB C 67 44.440 45.408 -0.968 1
1 330 . 1 1 1 A 67 67 LEU N N 67 127.890 128.836 -0.946 1
1 331 . 1 1 1 A 68 68 SER H H 68 8.810 9.320 -0.510 1
1 332 . 1 1 1 A 68 68 SER HA H 68 4.970 5.357 -0.387 1
1 335 . 1 1 1 A 68 68 SER CA C 68 57.170 57.060 0.110 1
1 336 . 1 1 1 A 68 68 SER CB C 68 65.320 66.350 -1.030 1
1 337 . 1 1 1 A 68 68 SER N N 68 122.560 124.728 -2.168 1
1 338 . 1 1 1 A 69 69 MET H H 69 9.050 8.877 0.173 1
1 339 . 1 1 1 A 69 69 MET HA H 69 4.740 5.226 -0.486 1
1 345 . 1 1 1 A 69 69 MET CA C 69 54.520 54.210 0.310 1
1 348 . 1 1 1 A 69 69 MET N N 69 122.420 123.083 -0.663 1
1 349 . 1 1 1 A 70 70 ASP H H 70 8.620 8.667 -0.047 1
1 350 . 1 1 1 A 70 70 ASP HA H 70 5.140 5.321 -0.181 1
1 353 . 1 1 1 A 70 70 ASP CA C 70 51.410 50.709 0.701 1
1 354 . 1 1 1 A 70 70 ASP CB C 70 40.930 42.316 -1.386 1
1 355 . 1 1 1 A 70 70 ASP N N 70 120.620 122.427 -1.807 1
1 356 . 1 1 1 A 71 71 PRO HA H 71 4.760 4.408 0.352 1
1 359 . 1 1 1 A 71 71 PRO CA C 71 66.380 64.393 1.987 1
1 361 . 1 1 1 A 72 72 PRO HA H 72 4.520 4.363 0.157 1
1 368 . 1 1 1 A 72 72 PRO CA C 72 65.750 65.129 0.621 1
1 369 . 1 1 1 A 72 72 PRO CB C 72 31.570 31.293 0.277 1
1 371 . 1 1 1 A 73 73 ARG H H 73 7.360 7.616 -0.256 1
1 372 . 1 1 1 A 73 73 ARG HA H 73 4.570 4.503 0.067 1
1 378 . 1 1 1 A 73 73 ARG CA C 73 55.160 55.454 -0.294 1
1 379 . 1 1 1 A 73 73 ARG CB C 73 29.000 31.001 -2.001 1
1 382 . 1 1 1 A 73 73 ARG N N 73 114.560 116.160 -1.600 1
1 383 . 1 1 1 A 74 74 ASN H H 74 8.440 7.639 0.801 1
1 384 . 1 1 1 A 74 74 ASN HA H 74 4.270 4.134 0.136 1
1 389 . 1 1 1 A 74 74 ASN CA C 74 53.830 54.514 -0.684 1
1 390 . 1 1 1 A 74 74 ASN CB C 74 37.500 36.383 1.117 1
1 391 . 1 1 1 A 74 74 ASN N N 74 115.460 115.054 0.406 1
1 393 . 1 1 1 A 75 75 CYS H H 75 7.270 7.385 -0.115 1
1 394 . 1 1 1 A 75 75 CYS HA H 75 5.730 5.304 0.426 1
1 396 . 1 1 1 A 75 75 CYS CA C 75 55.420 57.038 -1.618 1
1 397 . 1 1 1 A 75 75 CYS CB C 75 32.640 30.734 1.906 1
1 398 . 1 1 1 A 75 75 CYS N N 75 127.180 113.747 13.433 1
1 399 . 1 1 1 A 76 76 ALA H H 76 8.590 8.728 -0.138 1
1 403 . 1 1 1 A 76 76 ALA CB C 76 24.400 22.422 1.978 1
1 404 . 1 1 1 A 76 76 ALA N N 76 122.120 124.963 -2.843 1
1 405 . 1 1 1 A 77 77 PHE H H 77 8.780 9.802 -1.022 1
1 406 . 1 1 1 A 77 77 PHE HA H 77 5.620 5.827 -0.207 1
1 407 . 1 1 1 A 77 77 PHE CA C 77 55.850 56.542 -0.692 1
1 408 . 1 1 1 A 77 77 PHE N N 77 115.390 119.200 -3.810 1
1 409 . 1 1 1 A 78 78 VAL H H 78 8.580 8.825 -0.245 1
1 410 . 1 1 1 A 78 78 VAL HA H 78 4.300 4.588 -0.288 1
1 418 . 1 1 1 A 78 78 VAL CA C 78 60.960 60.611 0.349 1
1 419 . 1 1 1 A 78 78 VAL CB C 78 34.360 33.850 0.510 1
1 422 . 1 1 1 A 78 78 VAL N N 78 126.440 122.358 4.082 1
1 423 . 1 1 1 A 79 79 THR H H 79 8.960 8.410 0.550 1
1 424 . 1 1 1 A 79 79 THR HA H 79 5.330 5.130 0.200 1
1 429 . 1 1 1 A 79 79 THR CA C 79 61.940 62.118 -0.178 1
1 430 . 1 1 1 A 79 79 THR CB C 79 69.910 70.243 -0.333 1
1 432 . 1 1 1 A 79 79 THR N N 79 123.990 123.144 0.846 1
1 433 . 1 1 1 A 80 80 TYR H H 80 8.880 9.036 -0.156 1
1 434 . 1 1 1 A 80 80 TYR HA H 80 5.400 5.095 0.305 1
1 437 . 1 1 1 A 80 80 TYR CA C 80 57.660 56.365 1.295 1
1 438 . 1 1 1 A 80 80 TYR CB C 80 42.220 41.614 0.606 1
1 439 . 1 1 1 A 80 80 TYR N N 80 126.670 125.084 1.586 1
1 440 . 1 1 1 A 81 81 GLU H H 81 8.490 8.677 -0.187 1
1 441 . 1 1 1 A 81 81 GLU HA H 81 4.110 4.232 -0.122 1
1 446 . 1 1 1 A 81 81 GLU CA C 81 59.290 58.989 0.301 1
1 447 . 1 1 1 A 81 81 GLU CB C 81 31.210 30.242 0.968 1
1 449 . 1 1 1 A 81 81 GLU N N 81 119.690 123.634 -3.944 1
1 450 . 1 1 1 A 82 82 LYS H H 82 8.460 7.877 0.583 1
1 451 . 1 1 1 A 82 82 LYS HA H 82 5.020 4.740 0.280 1
1 457 . 1 1 1 A 82 82 LYS CA C 82 54.140 54.812 -0.672 1
1 458 . 1 1 1 A 82 82 LYS CB C 82 34.420 35.536 -1.116 1
1 462 . 1 1 1 A 82 82 LYS N N 82 113.920 117.526 -3.606 1
1 463 . 1 1 1 A 83 83 MET H H 83 9.100 9.075 0.025 1
1 464 . 1 1 1 A 83 83 MET HA H 83 4.070 4.240 -0.170 1
1 468 . 1 1 1 A 83 83 MET CA C 83 59.570 58.239 1.331 1
1 469 . 1 1 1 A 83 83 MET CB C 83 32.420 31.803 0.617 1
1 471 . 1 1 1 A 83 83 MET N N 83 122.530 121.787 0.743 1
1 472 . 1 1 1 A 84 84 GLU H H 84 9.690 7.841 1.849 1
1 473 . 1 1 1 A 84 84 GLU HA H 84 4.240 4.096 0.144 1
1 477 . 1 1 1 A 84 84 GLU CA C 84 60.040 59.237 0.803 1
1 478 . 1 1 1 A 84 84 GLU CB C 84 28.640 28.979 -0.339 1
1 480 . 1 1 1 A 84 84 GLU N N 84 117.940 120.044 -2.104 1
1 481 . 1 1 1 A 85 85 SER H H 85 7.110 7.973 -0.863 1
1 482 . 1 1 1 A 85 85 SER HA H 85 4.130 3.930 0.200 1
1 485 . 1 1 1 A 85 85 SER CA C 85 61.840 61.471 0.369 1
1 486 . 1 1 1 A 85 85 SER CB C 85 62.400 62.250 0.150 1
1 487 . 1 1 1 A 85 85 SER N N 85 115.500 116.517 -1.017 1
1 488 . 1 1 1 A 86 86 ALA H H 86 6.860 7.840 -0.980 1
1 489 . 1 1 1 A 86 86 ALA HA H 86 4.080 4.504 -0.424 1
1 493 . 1 1 1 A 86 86 ALA CA C 86 55.210 54.710 0.500 1
1 494 . 1 1 1 A 86 86 ALA CB C 86 18.070 18.530 -0.460 1
1 495 . 1 1 1 A 86 86 ALA N N 86 122.760 123.376 -0.616 1
1 496 . 1 1 1 A 87 87 ASP H H 87 7.680 7.989 -0.309 1
1 497 . 1 1 1 A 87 87 ASP HA H 87 4.390 4.382 0.008 1
1 500 . 1 1 1 A 87 87 ASP CA C 87 57.470 57.329 0.141 1
1 501 . 1 1 1 A 87 87 ASP CB C 87 40.850 39.929 0.921 1
1 502 . 1 1 1 A 87 87 ASP N N 87 115.980 119.135 -3.155 1
1 503 . 1 1 1 A 88 88 GLN H H 88 7.670 8.108 -0.438 1
1 504 . 1 1 1 A 88 88 GLN HA H 88 4.040 4.154 -0.114 1
1 511 . 1 1 1 A 88 88 GLN CA C 88 58.500 58.903 -0.403 1
1 512 . 1 1 1 A 88 88 GLN CB C 88 28.270 28.864 -0.594 1
1 514 . 1 1 1 A 88 88 GLN N N 88 119.920 120.020 -0.100 1
1 516 . 1 1 1 A 89 89 ALA H H 89 7.950 7.668 0.282 1
1 517 . 1 1 1 A 89 89 ALA HA H 89 2.800 2.346 0.454 1
1 521 . 1 1 1 A 89 89 ALA CA C 89 54.930 54.393 0.537 1
1 522 . 1 1 1 A 89 89 ALA CB C 89 19.340 17.968 1.372 1
1 523 . 1 1 1 A 89 89 ALA N N 89 121.330 121.603 -0.273 1
1 524 . 1 1 1 A 90 90 VAL H H 90 8.030 8.699 -0.669 1
1 525 . 1 1 1 A 90 90 VAL HA H 90 3.370 3.570 -0.200 1
1 533 . 1 1 1 A 90 90 VAL CA C 90 67.090 66.454 0.636 1
1 534 . 1 1 1 A 90 90 VAL CB C 90 32.180 31.586 0.594 1
1 537 . 1 1 1 A 90 90 VAL N N 90 116.630 118.511 -1.881 1
1 538 . 1 1 1 A 91 91 ALA H H 91 7.350 8.183 -0.833 1
1 539 . 1 1 1 A 91 91 ALA HA H 91 4.130 4.166 -0.036 1
1 543 . 1 1 1 A 91 91 ALA CA C 91 54.810 55.228 -0.418 1
1 544 . 1 1 1 A 91 91 ALA CB C 91 18.330 18.354 -0.024 1
1 545 . 1 1 1 A 91 91 ALA N N 91 119.620 121.775 -2.155 1
1 546 . 1 1 1 A 92 92 GLU H H 92 7.960 8.162 -0.202 1
1 547 . 1 1 1 A 92 92 GLU HA H 92 4.360 4.166 0.194 1
1 552 . 1 1 1 A 92 92 GLU CA C 92 57.930 58.606 -0.676 1
1 553 . 1 1 1 A 92 92 GLU CB C 92 30.980 29.804 1.176 1
1 555 . 1 1 1 A 92 92 GLU N N 92 113.770 118.994 -5.224 1
1 556 . 1 1 1 A 93 93 LEU H H 93 8.310 8.141 0.169 1
1 557 . 1 1 1 A 93 93 LEU HA H 93 4.620 4.140 0.480 1
1 567 . 1 1 1 A 93 93 LEU CA C 93 55.810 57.207 -1.397 1
1 568 . 1 1 1 A 93 93 LEU CB C 93 44.130 41.747 2.383 1
1 572 . 1 1 1 A 93 93 LEU N N 93 114.550 118.602 -4.052 1
1 573 . 1 1 1 A 94 94 ASN H H 94 7.910 7.826 0.084 1
1 574 . 1 1 1 A 94 94 ASN HA H 94 4.430 4.341 0.089 1
1 577 . 1 1 1 A 94 94 ASN CA C 94 56.690 54.969 1.721 1
1 578 . 1 1 1 A 94 94 ASN N N 94 116.840 117.787 -0.947 1
1 580 . 1 1 1 A 95 95 GLY H H 95 8.890 8.756 0.134 1
1 581 . 1 1 1 A 95 95 GLY HA2 H 95 3.960 3.917 0.043 1
1 582 . 1 1 1 A 95 95 GLY HA3 H 95 4.290 3.919 0.371 1
1 583 . 1 1 1 A 95 95 GLY CA C 95 46.090 45.991 0.099 1
1 584 . 1 1 1 A 95 95 GLY N N 95 116.350 113.676 2.674 1
1 585 . 1 1 1 A 96 96 THR H H 96 7.860 7.665 0.195 1
1 586 . 1 1 1 A 96 96 THR HA H 96 4.660 4.987 -0.327 1
1 591 . 1 1 1 A 96 96 THR CA C 96 60.880 59.322 1.558 1
1 592 . 1 1 1 A 96 96 THR CB C 96 71.090 72.303 -1.213 1
1 594 . 1 1 1 A 96 96 THR N N 96 113.920 110.751 3.169 1
1 595 . 1 1 1 A 97 97 GLN H H 97 8.360 8.885 -0.525 1
1 596 . 1 1 1 A 97 97 GLN HA H 97 5.210 5.052 0.158 1
1 602 . 1 1 1 A 97 97 GLN CA C 97 54.170 54.015 0.155 1
1 603 . 1 1 1 A 97 97 GLN CB C 97 30.470 32.274 -1.804 1
1 605 . 1 1 1 A 97 97 GLN N N 97 119.550 122.149 -2.599 1
1 607 . 1 1 1 A 98 98 VAL H H 98 8.900 9.292 -0.392 1
1 608 . 1 1 1 A 98 98 VAL HA H 98 4.200 4.398 -0.198 1
1 616 . 1 1 1 A 98 98 VAL CA C 98 61.350 61.386 -0.036 1
1 617 . 1 1 1 A 98 98 VAL CB C 98 33.600 32.456 1.144 1
1 620 . 1 1 1 A 98 98 VAL N N 98 127.260 125.739 1.521 1
1 621 . 1 1 1 A 99 99 GLU H H 99 9.160 8.572 0.588 1
1 622 . 1 1 1 A 99 99 GLU HA H 99 3.820 4.053 -0.233 1
1 625 . 1 1 1 A 99 99 GLU CA C 99 57.950 59.475 -1.525 1
1 626 . 1 1 1 A 99 99 GLU CB C 99 27.110 29.886 -2.776 1
1 628 . 1 1 1 A 99 99 GLU N N 99 124.200 123.399 0.801 1
1 629 . 1 1 1 A 100 100 SER H H 100 8.330 7.949 0.381 1
1 630 . 1 1 1 A 100 100 SER HA H 100 4.280 4.681 -0.401 1
1 633 . 1 1 1 A 100 100 SER CA C 100 59.780 57.231 2.549 1
1 634 . 1 1 1 A 100 100 SER CB C 100 63.300 64.338 -1.038 1
1 635 . 1 1 1 A 100 100 SER N N 100 111.660 113.552 -1.892 1
1 636 . 1 1 1 A 101 101 VAL H H 101 8.410 7.610 0.800 1
1 637 . 1 1 1 A 101 101 VAL HA H 101 4.210 4.791 -0.581 1
1 645 . 1 1 1 A 101 101 VAL CA C 101 62.080 59.790 2.290 1
1 646 . 1 1 1 A 101 101 VAL CB C 101 33.200 36.876 -3.676 1
1 649 . 1 1 1 A 101 101 VAL N N 101 124.550 121.243 3.307 1
1 650 . 1 1 1 A 102 102 GLN H H 102 8.510 8.788 -0.278 1
1 651 . 1 1 1 A 102 102 GLN HA H 102 4.590 5.118 -0.528 1
1 658 . 1 1 1 A 102 102 GLN CA C 102 55.090 54.222 0.868 1
1 659 . 1 1 1 A 102 102 GLN CB C 102 28.620 32.158 -3.538 1
1 661 . 1 1 1 A 102 102 GLN N N 102 127.320 121.775 5.545 1
1 663 . 1 1 1 A 103 103 LEU H H 103 8.710 8.770 -0.060 1
1 664 . 1 1 1 A 103 103 LEU HA H 103 5.050 5.311 -0.261 1
1 674 . 1 1 1 A 103 103 LEU CA C 103 54.740 53.524 1.216 1
1 675 . 1 1 1 A 103 103 LEU CB C 103 44.820 45.330 -0.510 1
1 679 . 1 1 1 A 103 103 LEU N N 103 126.610 124.259 2.351 1
1 680 . 1 1 1 A 104 104 LYS H H 104 8.690 8.795 -0.105 1
1 681 . 1 1 1 A 104 104 LYS HA H 104 5.030 4.947 0.083 1
1 688 . 1 1 1 A 104 104 LYS CA C 104 55.480 55.136 0.344 1
1 689 . 1 1 1 A 104 104 LYS CB C 104 34.520 34.537 -0.017 1
1 693 . 1 1 1 A 104 104 LYS N N 104 124.080 125.389 -1.309 1
1 694 . 1 1 1 A 105 105 VAL H H 105 9.050 8.841 0.209 1
1 695 . 1 1 1 A 105 105 VAL HA H 105 5.190 5.495 -0.305 1
1 703 . 1 1 1 A 105 105 VAL CA C 105 60.840 60.933 -0.093 1
1 704 . 1 1 1 A 105 105 VAL CB C 105 35.660 34.073 1.587 1
1 707 . 1 1 1 A 105 105 VAL N N 105 123.920 124.540 -0.620 1
1 708 . 1 1 1 A 106 106 ASN H H 106 9.300 9.175 0.125 1
1 709 . 1 1 1 A 106 106 ASN HA H 106 5.220 5.380 -0.160 1
1 714 . 1 1 1 A 106 106 ASN CA C 106 51.630 51.511 0.119 1
1 715 . 1 1 1 A 106 106 ASN CB C 106 43.840 43.089 0.751 1
1 716 . 1 1 1 A 106 106 ASN N N 106 122.780 124.126 -1.346 1
1 718 . 1 1 1 A 107 107 ILE H H 107 9.050 8.719 0.331 1
1 719 . 1 1 1 A 107 107 ILE HA H 107 4.160 4.895 -0.735 1
1 729 . 1 1 1 A 107 107 ILE CA C 107 61.670 60.244 1.426 1
1 730 . 1 1 1 A 107 107 ILE CB C 107 36.140 39.739 -3.599 1
1 733 . 1 1 1 A 107 107 ILE N N 107 122.980 120.575 2.405 1
1 734 . 1 1 1 A 108 108 ALA H H 108 8.740 8.952 -0.212 1
1 735 . 1 1 1 A 108 108 ALA HA H 108 4.780 4.949 -0.169 1
1 739 . 1 1 1 A 108 108 ALA CA C 108 52.620 50.513 2.107 1
1 740 . 1 1 1 A 108 108 ALA CB C 108 19.570 21.709 -2.139 1
1 741 . 1 1 1 A 108 108 ALA N N 108 131.610 130.159 1.451 1
1 742 . 1 1 1 A 109 109 ARG HA H 109 4.390 4.544 -0.154 1
1 746 . 1 1 1 A 109 109 ARG CA C 109 56.120 55.873 0.247 1
1 747 . 1 1 1 A 109 109 ARG CB C 109 31.010 30.506 0.504 1
1 749 . 1 1 1 A 111 111 GLN HA H 111 4.630 4.025 0.605 1
1 754 . 1 1 1 A 111 111 GLN CA C 111 55.160 56.681 -1.521 1
1 755 . 1 1 1 A 111 111 GLN CB C 111 32.900 27.816 5.084 1
1 757 . 1 1 1 A 112 112 PRO HA H 112 4.370 4.604 -0.234 1
1 761 . 1 1 1 A 112 112 PRO CA C 112 64.090 64.605 -0.515 1
1 762 . 1 1 1 A 112 112 PRO CB C 112 32.650 31.968 0.682 1
1 767 . 1 1 1 A 114 114 LEU H H 114 7.710 7.794 -0.084 1
1 768 . 1 1 1 A 114 114 LEU HA H 114 4.440 4.539 -0.099 1
1 777 . 1 1 1 A 114 114 LEU CB C 114 42.640 43.376 -0.736 1
1 780 . 1 1 1 A 114 114 LEU N N 114 123.050 118.984 4.066 1
1 781 . 1 1 1 A 115 115 ASP H H 115 8.440 8.258 0.182 1
1 782 . 1 1 1 A 115 115 ASP HA H 115 4.610 4.282 0.328 1
1 785 . 1 1 1 A 115 115 ASP CA C 115 54.620 55.597 -0.977 1
1 786 . 1 1 1 A 115 115 ASP CB C 115 40.720 39.152 1.568 1
1 787 . 1 1 1 A 115 115 ASP N N 115 119.520 117.188 2.332 1
1 788 . 1 1 1 A 116 116 ALA H H 116 8.060 7.819 0.241 1
1 789 . 1 1 1 A 116 116 ALA HA H 116 4.320 4.445 -0.125 1
1 793 . 1 1 1 A 116 116 ALA CA C 116 53.080 54.833 -1.753 1
1 794 . 1 1 1 A 116 116 ALA CB C 116 19.000 17.980 1.020 1
1 795 . 1 1 1 A 116 116 ALA N N 116 123.460 113.290 10.170 1
1 796 . 1 1 1 A 117 117 ALA H H 117 8.110 7.751 0.359 1
1 797 . 1 1 1 A 117 117 ALA HA H 117 4.640 4.432 0.208 1
1 801 . 1 1 1 A 117 117 ALA CA C 117 52.600 51.368 1.232 1
1 802 . 1 1 1 A 117 117 ALA CB C 117 19.360 20.114 -0.754 1
1 803 . 1 1 1 A 117 117 ALA N N 117 121.130 115.723 5.407 1
1 804 . 1 1 1 A 118 118 THR H H 118 8.060 8.624 -0.564 1
1 805 . 1 1 1 A 118 118 THR HA H 118 4.430 5.163 -0.733 1
1 810 . 1 1 1 A 118 118 THR CA C 118 62.130 59.509 2.621 1
1 811 . 1 1 1 A 118 118 THR CB C 118 69.840 72.463 -2.623 1
1 813 . 1 1 1 A 118 118 THR N N 118 112.100 113.026 -0.926 1
1 814 . 1 1 1 A 119 119 GLY H H 119 8.430 8.470 -0.040 1
1 815 . 1 1 1 A 119 119 GLY N N 119 111.230 111.882 -0.652 1
1 816 . 1 1 1 A 120 120 LYS H H 120 8.200 9.069 -0.869 1
1 817 . 1 1 1 A 120 120 LYS HA H 120 4.510 3.935 0.575 1
1 821 . 1 1 1 A 120 120 LYS CA C 120 56.110 59.372 -3.262 1
1 822 . 1 1 1 A 120 120 LYS CB C 120 33.270 32.568 0.702 1
1 823 . 1 1 1 A 120 120 LYS N N 120 121.180 119.940 1.240 1
1 17 . 2 1 1 A 37 37 ARG H H 37 8.370 8.563 -0.193 1
1 18 . 2 1 1 A 37 37 ARG N N 37 121.030 121.544 -0.514 1
1 19 . 2 1 1 A 38 38 LYS H H 38 8.150 8.504 -0.354 1
1 20 . 2 1 1 A 38 38 LYS HA H 38 4.750 4.516 0.234 1
1 25 . 2 1 1 A 38 38 LYS CA C 38 54.190 56.067 -1.877 1
1 26 . 2 1 1 A 38 38 LYS CB C 38 35.040 33.498 1.542 1
1 27 . 2 1 1 A 38 38 LYS N N 38 119.860 122.449 -2.589 1
1 28 . 2 1 1 A 39 39 GLY H H 39 8.710 8.580 0.130 1
1 29 . 2 1 1 A 39 39 GLY HA3 H 39 4.050 4.244 -0.194 1
1 30 . 2 1 1 A 39 39 GLY CA C 39 45.460 45.713 -0.253 1
1 31 . 2 1 1 A 39 39 GLY N N 39 107.990 108.820 -0.830 1
1 32 . 2 1 1 A 40 40 ASN H H 40 8.300 9.730 -1.430 1
1 33 . 2 1 1 A 40 40 ASN HA H 40 4.850 4.943 -0.093 1
1 38 . 2 1 1 A 40 40 ASN CA C 40 54.110 53.559 0.551 1
1 39 . 2 1 1 A 40 40 ASN CB C 40 37.840 38.943 -1.103 1
1 40 . 2 1 1 A 40 40 ASN N N 40 115.650 122.211 -6.561 1
1 42 . 2 1 1 A 41 41 THR HA H 41 5.400 5.054 0.346 1
1 47 . 2 1 1 A 41 41 THR CA C 41 63.410 62.690 0.720 1
1 48 . 2 1 1 A 41 41 THR CB C 41 69.930 70.136 -0.206 1
1 50 . 2 1 1 A 42 42 LEU H H 42 9.900 8.864 1.036 1
1 51 . 2 1 1 A 42 42 LEU HA H 42 5.090 5.448 -0.358 1
1 61 . 2 1 1 A 42 42 LEU CA C 42 53.260 53.585 -0.325 1
1 62 . 2 1 1 A 42 42 LEU CB C 42 43.590 44.791 -1.201 1
1 66 . 2 1 1 A 42 42 LEU N N 42 127.870 125.579 2.291 1
1 67 . 2 1 1 A 43 43 TYR H H 43 9.190 9.499 -0.309 1
1 68 . 2 1 1 A 43 43 TYR HA H 43 4.420 4.923 -0.503 1
1 71 . 2 1 1 A 43 43 TYR CB C 43 40.310 40.350 -0.040 1
1 72 . 2 1 1 A 43 43 TYR N N 43 124.140 124.903 -0.763 1
1 73 . 2 1 1 A 44 44 VAL H H 44 7.980 8.758 -0.778 1
1 74 . 2 1 1 A 44 44 VAL HA H 44 4.810 4.948 -0.138 1
1 82 . 2 1 1 A 44 44 VAL CA C 44 59.320 61.254 -1.934 1
1 83 . 2 1 1 A 44 44 VAL CB C 44 34.360 33.180 1.180 1
1 86 . 2 1 1 A 44 44 VAL N N 44 127.360 128.027 -0.667 1
1 87 . 2 1 1 A 45 45 TYR H H 45 9.020 8.535 0.485 1
1 88 . 2 1 1 A 45 45 TYR HA H 45 4.980 5.420 -0.440 1
1 94 . 2 1 1 A 45 45 TYR CA C 45 55.680 55.532 0.148 1
1 95 . 2 1 1 A 45 45 TYR CB C 45 42.210 41.901 0.309 1
1 96 . 2 1 1 A 45 45 TYR N N 45 126.390 128.291 -1.901 1
1 97 . 2 1 1 A 46 46 GLY H H 46 7.510 7.764 -0.254 1
1 98 . 2 1 1 A 46 46 GLY HA2 H 46 3.830 3.991 -0.161 1
1 99 . 2 1 1 A 46 46 GLY HA3 H 46 3.830 4.071 -0.241 1
1 100 . 2 1 1 A 46 46 GLY CA C 46 45.360 45.893 -0.533 1
1 101 . 2 1 1 A 46 46 GLY N N 46 114.220 111.794 2.426 1
1 102 . 2 1 1 A 47 47 GLU H H 47 8.750 8.638 0.112 1
1 103 . 2 1 1 A 47 47 GLU HA H 47 3.990 4.619 -0.629 1
1 108 . 2 1 1 A 47 47 GLU CA C 47 56.720 54.651 2.069 1
1 109 . 2 1 1 A 47 47 GLU CB C 47 30.460 32.732 -2.272 1
1 111 . 2 1 1 A 47 47 GLU N N 47 123.880 120.392 3.488 1
1 112 . 2 1 1 A 48 48 ASP H H 48 8.540 8.983 -0.443 1
1 113 . 2 1 1 A 48 48 ASP HA H 48 4.250 4.181 0.069 1
1 116 . 2 1 1 A 48 48 ASP CA C 48 55.210 54.796 0.414 1
1 117 . 2 1 1 A 48 48 ASP CB C 48 39.150 39.353 -0.203 1
1 118 . 2 1 1 A 48 48 ASP N N 48 117.200 122.260 -5.060 1
1 119 . 2 1 1 A 49 49 MET H H 49 8.190 8.015 0.175 1
1 120 . 2 1 1 A 49 49 MET HA H 49 4.120 4.594 -0.474 1
1 126 . 2 1 1 A 49 49 MET CA C 49 57.510 54.884 2.626 1
1 127 . 2 1 1 A 49 49 MET CB C 49 34.620 32.948 1.672 1
1 129 . 2 1 1 A 49 49 MET N N 49 114.560 118.662 -4.102 1
1 130 . 2 1 1 A 50 50 THR H H 50 6.510 8.352 -1.842 1
1 131 . 2 1 1 A 50 50 THR HA H 50 5.020 4.952 0.068 1
1 136 . 2 1 1 A 50 50 THR CA C 50 57.960 58.571 -0.611 1
1 137 . 2 1 1 A 50 50 THR CB C 50 70.150 69.764 0.386 1
1 139 . 2 1 1 A 50 50 THR N N 50 108.060 115.270 -7.210 1
1 140 . 2 1 1 A 51 51 PRO HA H 51 4.340 4.261 0.079 1
1 146 . 2 1 1 A 51 51 PRO CA C 51 65.790 65.589 0.201 1
1 147 . 2 1 1 A 51 51 PRO CB C 51 31.780 31.883 -0.103 1
1 150 . 2 1 1 A 52 52 THR H H 52 7.640 7.771 -0.131 1
1 151 . 2 1 1 A 52 52 THR HA H 52 3.980 4.036 -0.056 1
1 156 . 2 1 1 A 52 52 THR CA C 52 66.160 65.744 0.416 1
1 157 . 2 1 1 A 52 52 THR CB C 52 68.430 67.948 0.482 1
1 159 . 2 1 1 A 52 52 THR N N 52 111.520 112.134 -0.614 1
1 160 . 2 1 1 A 53 53 LEU H H 53 7.810 8.102 -0.292 1
1 161 . 2 1 1 A 53 53 LEU HA H 53 4.130 4.095 0.035 1
1 171 . 2 1 1 A 53 53 LEU CA C 53 58.360 58.188 0.172 1
1 172 . 2 1 1 A 53 53 LEU CB C 53 42.970 41.804 1.166 1
1 176 . 2 1 1 A 53 53 LEU N N 53 125.410 121.937 3.473 1
1 177 . 2 1 1 A 54 54 LEU H H 54 7.840 8.260 -0.420 1
1 178 . 2 1 1 A 54 54 LEU HA H 54 4.260 3.971 0.289 1
1 188 . 2 1 1 A 54 54 LEU CA C 54 57.580 58.299 -0.719 1
1 189 . 2 1 1 A 54 54 LEU CB C 54 42.330 41.596 0.734 1
1 193 . 2 1 1 A 54 54 LEU N N 54 117.150 118.581 -1.431 1
1 194 . 2 1 1 A 55 55 ARG H H 55 9.020 8.418 0.602 1
1 195 . 2 1 1 A 55 55 ARG HA H 55 3.880 4.181 -0.301 1
1 202 . 2 1 1 A 55 55 ARG CA C 55 60.890 59.233 1.657 1
1 203 . 2 1 1 A 55 55 ARG CB C 55 29.580 30.003 -0.423 1
1 206 . 2 1 1 A 55 55 ARG N N 55 120.050 118.129 1.921 1
1 207 . 2 1 1 A 56 56 GLY H H 56 8.180 8.202 -0.022 1
1 208 . 2 1 1 A 56 56 GLY HA2 H 56 3.940 3.894 0.046 1
1 209 . 2 1 1 A 56 56 GLY HA3 H 56 4.100 3.915 0.185 1
1 210 . 2 1 1 A 56 56 GLY CA C 56 47.210 47.013 0.197 1
1 211 . 2 1 1 A 56 56 GLY N N 56 106.700 108.086 -1.386 1
1 212 . 2 1 1 A 57 57 ALA H H 57 7.830 7.782 0.048 1
1 213 . 2 1 1 A 57 57 ALA HA H 57 4.360 4.074 0.286 1
1 217 . 2 1 1 A 57 57 ALA CA C 57 53.590 54.295 -0.705 1
1 218 . 2 1 1 A 57 57 ALA CB C 57 19.050 18.258 0.792 1
1 219 . 2 1 1 A 57 57 ALA N N 57 120.270 124.653 -4.383 1
1 220 . 2 1 1 A 58 58 PHE H H 58 8.600 7.919 0.681 1
1 221 . 2 1 1 A 58 58 PHE HA H 58 4.790 5.594 -0.804 1
1 227 . 2 1 1 A 58 58 PHE CA C 58 60.210 57.646 2.564 1
1 228 . 2 1 1 A 58 58 PHE CB C 58 38.390 39.588 -1.198 1
1 229 . 2 1 1 A 58 58 PHE N N 58 110.250 116.792 -6.542 1
1 230 . 2 1 1 A 59 59 SER H H 59 8.610 8.072 0.538 1
1 231 . 2 1 1 A 59 59 SER HA H 59 4.810 4.424 0.386 1
1 234 . 2 1 1 A 59 59 SER CA C 59 63.540 62.970 0.570 1
1 235 . 2 1 1 A 59 59 SER CB C 59 62.910 62.619 0.291 1
1 236 . 2 1 1 A 59 59 SER N N 59 122.860 116.867 5.993 1
1 237 . 2 1 1 A 60 60 PRO HA H 60 4.280 4.344 -0.064 1
1 244 . 2 1 1 A 60 60 PRO CA C 60 65.680 65.621 0.059 1
1 245 . 2 1 1 A 60 60 PRO CB C 60 31.420 30.630 0.790 1
1 248 . 2 1 1 A 61 61 PHE H H 61 6.850 8.723 -1.873 1
1 249 . 2 1 1 A 61 61 PHE HA H 61 4.510 4.232 0.278 1
1 257 . 2 1 1 A 61 61 PHE CA C 61 58.310 60.557 -2.247 1
1 258 . 2 1 1 A 61 61 PHE CB C 61 38.920 38.877 0.043 1
1 259 . 2 1 1 A 61 61 PHE N N 61 109.700 116.869 -7.169 1
1 260 . 2 1 1 A 62 62 GLY H H 62 7.800 7.488 0.312 1
1 261 . 2 1 1 A 62 62 GLY HA2 H 62 4.090 3.966 0.124 1
1 262 . 2 1 1 A 62 62 GLY HA3 H 62 4.290 4.099 0.191 1
1 263 . 2 1 1 A 62 62 GLY CA C 62 45.290 45.825 -0.535 1
1 264 . 2 1 1 A 62 62 GLY N N 62 106.520 103.927 2.593 1
1 265 . 2 1 1 A 63 63 ASN H H 63 8.520 8.591 -0.071 1
1 266 . 2 1 1 A 63 63 ASN HA H 63 4.920 5.226 -0.306 1
1 271 . 2 1 1 A 63 63 ASN CA C 63 52.930 53.081 -0.151 1
1 272 . 2 1 1 A 63 63 ASN CB C 63 38.630 40.083 -1.453 1
1 273 . 2 1 1 A 63 63 ASN N N 63 117.020 118.571 -1.551 1
1 275 . 2 1 1 A 64 64 ILE H H 64 8.750 8.968 -0.218 1
1 276 . 2 1 1 A 64 64 ILE HA H 64 4.100 4.989 -0.889 1
1 286 . 2 1 1 A 64 64 ILE CA C 64 61.940 60.048 1.892 1
1 287 . 2 1 1 A 64 64 ILE CB C 64 38.780 39.717 -0.937 1
1 291 . 2 1 1 A 64 64 ILE N N 64 127.930 122.689 5.241 1
1 292 . 2 1 1 A 65 65 ILE H H 65 8.910 8.771 0.139 1
1 293 . 2 1 1 A 65 65 ILE HA H 65 4.490 4.331 0.159 1
1 303 . 2 1 1 A 65 65 ILE CA C 65 61.310 61.660 -0.350 1
1 304 . 2 1 1 A 65 65 ILE CB C 65 38.470 38.778 -0.308 1
1 308 . 2 1 1 A 65 65 ILE N N 65 124.530 123.102 1.428 1
1 309 . 2 1 1 A 66 66 ASP H H 66 7.520 7.811 -0.291 1
1 310 . 2 1 1 A 66 66 ASP HA H 66 4.700 5.065 -0.365 1
1 313 . 2 1 1 A 66 66 ASP CA C 66 55.520 53.905 1.615 1
1 314 . 2 1 1 A 66 66 ASP CB C 66 45.290 43.305 1.985 1
1 315 . 2 1 1 A 66 66 ASP N N 66 119.140 121.136 -1.996 1
1 316 . 2 1 1 A 67 67 LEU H H 67 8.230 8.778 -0.548 1
1 317 . 2 1 1 A 67 67 LEU HA H 67 4.980 4.948 0.032 1
1 326 . 2 1 1 A 67 67 LEU CA C 67 54.980 53.669 1.311 1
1 327 . 2 1 1 A 67 67 LEU CB C 67 44.440 44.333 0.107 1
1 330 . 2 1 1 A 67 67 LEU N N 67 127.890 128.484 -0.594 1
1 331 . 2 1 1 A 68 68 SER H H 68 8.810 9.080 -0.270 1
1 332 . 2 1 1 A 68 68 SER HA H 68 4.970 5.339 -0.369 1
1 335 . 2 1 1 A 68 68 SER CA C 68 57.170 56.413 0.757 1
1 336 . 2 1 1 A 68 68 SER CB C 68 65.320 66.406 -1.086 1
1 337 . 2 1 1 A 68 68 SER N N 68 122.560 122.029 0.531 1
1 338 . 2 1 1 A 69 69 MET H H 69 9.050 8.916 0.134 1
1 339 . 2 1 1 A 69 69 MET HA H 69 4.740 5.236 -0.496 1
1 345 . 2 1 1 A 69 69 MET CA C 69 54.520 54.217 0.303 1
1 348 . 2 1 1 A 69 69 MET N N 69 122.420 123.002 -0.582 1
1 349 . 2 1 1 A 70 70 ASP H H 70 8.620 8.812 -0.192 1
1 350 . 2 1 1 A 70 70 ASP HA H 70 5.140 5.282 -0.142 1
1 353 . 2 1 1 A 70 70 ASP CA C 70 51.410 50.957 0.453 1
1 354 . 2 1 1 A 70 70 ASP CB C 70 40.930 42.537 -1.607 1
1 355 . 2 1 1 A 70 70 ASP N N 70 120.620 121.935 -1.315 1
1 356 . 2 1 1 A 71 71 PRO HA H 71 4.760 4.375 0.385 1
1 359 . 2 1 1 A 71 71 PRO CA C 71 66.380 64.389 1.991 1
1 361 . 2 1 1 A 72 72 PRO HA H 72 4.520 4.391 0.129 1
1 368 . 2 1 1 A 72 72 PRO CA C 72 65.750 65.017 0.733 1
1 369 . 2 1 1 A 72 72 PRO CB C 72 31.570 31.446 0.124 1
1 371 . 2 1 1 A 73 73 ARG H H 73 7.360 7.535 -0.175 1
1 372 . 2 1 1 A 73 73 ARG HA H 73 4.570 4.559 0.011 1
1 378 . 2 1 1 A 73 73 ARG CA C 73 55.160 55.067 0.093 1
1 379 . 2 1 1 A 73 73 ARG CB C 73 29.000 30.943 -1.943 1
1 382 . 2 1 1 A 73 73 ARG N N 73 114.560 116.736 -2.176 1
1 383 . 2 1 1 A 74 74 ASN H H 74 8.440 7.978 0.462 1
1 384 . 2 1 1 A 74 74 ASN HA H 74 4.270 4.160 0.110 1
1 389 . 2 1 1 A 74 74 ASN CA C 74 53.830 54.517 -0.687 1
1 390 . 2 1 1 A 74 74 ASN CB C 74 37.500 36.434 1.066 1
1 391 . 2 1 1 A 74 74 ASN N N 74 115.460 114.890 0.570 1
1 393 . 2 1 1 A 75 75 CYS H H 75 7.270 7.655 -0.385 1
1 394 . 2 1 1 A 75 75 CYS HA H 75 5.730 5.311 0.419 1
1 396 . 2 1 1 A 75 75 CYS CA C 75 55.420 56.676 -1.256 1
1 397 . 2 1 1 A 75 75 CYS CB C 75 32.640 30.877 1.763 1
1 398 . 2 1 1 A 75 75 CYS N N 75 127.180 113.209 13.971 1
1 399 . 2 1 1 A 76 76 ALA H H 76 8.590 8.701 -0.111 1
1 403 . 2 1 1 A 76 76 ALA CB C 76 24.400 23.193 1.207 1
1 404 . 2 1 1 A 76 76 ALA N N 76 122.120 123.620 -1.500 1
1 405 . 2 1 1 A 77 77 PHE H H 77 8.780 8.916 -0.136 1
1 406 . 2 1 1 A 77 77 PHE HA H 77 5.620 5.744 -0.124 1
1 407 . 2 1 1 A 77 77 PHE CA C 77 55.850 56.258 -0.408 1
1 408 . 2 1 1 A 77 77 PHE N N 77 115.390 118.177 -2.787 1
1 409 . 2 1 1 A 78 78 VAL H H 78 8.580 8.704 -0.124 1
1 410 . 2 1 1 A 78 78 VAL HA H 78 4.300 4.554 -0.254 1
1 418 . 2 1 1 A 78 78 VAL CA C 78 60.960 60.443 0.517 1
1 419 . 2 1 1 A 78 78 VAL CB C 78 34.360 34.275 0.085 1
1 422 . 2 1 1 A 78 78 VAL N N 78 126.440 121.855 4.585 1
1 423 . 2 1 1 A 79 79 THR H H 79 8.960 8.343 0.617 1
1 424 . 2 1 1 A 79 79 THR HA H 79 5.330 5.323 0.007 1
1 429 . 2 1 1 A 79 79 THR CA C 79 61.940 61.842 0.098 1
1 430 . 2 1 1 A 79 79 THR CB C 79 69.910 70.206 -0.296 1
1 432 . 2 1 1 A 79 79 THR N N 79 123.990 123.791 0.199 1
1 433 . 2 1 1 A 80 80 TYR H H 80 8.880 9.519 -0.639 1
1 434 . 2 1 1 A 80 80 TYR HA H 80 5.400 4.996 0.404 1
1 437 . 2 1 1 A 80 80 TYR CA C 80 57.660 56.492 1.168 1
1 438 . 2 1 1 A 80 80 TYR CB C 80 42.220 41.066 1.154 1
1 439 . 2 1 1 A 80 80 TYR N N 80 126.670 125.695 0.975 1
1 440 . 2 1 1 A 81 81 GLU H H 81 8.490 8.653 -0.163 1
1 441 . 2 1 1 A 81 81 GLU HA H 81 4.110 4.209 -0.099 1
1 446 . 2 1 1 A 81 81 GLU CA C 81 59.290 59.365 -0.075 1
1 447 . 2 1 1 A 81 81 GLU CB C 81 31.210 29.670 1.540 1
1 449 . 2 1 1 A 81 81 GLU N N 81 119.690 124.173 -4.483 1
1 450 . 2 1 1 A 82 82 LYS H H 82 8.460 7.710 0.750 1
1 451 . 2 1 1 A 82 82 LYS HA H 82 5.020 4.681 0.339 1
1 457 . 2 1 1 A 82 82 LYS CA C 82 54.140 54.822 -0.682 1
1 458 . 2 1 1 A 82 82 LYS CB C 82 34.420 35.886 -1.466 1
1 462 . 2 1 1 A 82 82 LYS N N 82 113.920 117.593 -3.673 1
1 463 . 2 1 1 A 83 83 MET H H 83 9.100 9.058 0.042 1
1 464 . 2 1 1 A 83 83 MET HA H 83 4.070 4.263 -0.193 1
1 468 . 2 1 1 A 83 83 MET CA C 83 59.570 57.782 1.788 1
1 469 . 2 1 1 A 83 83 MET CB C 83 32.420 31.680 0.740 1
1 471 . 2 1 1 A 83 83 MET N N 83 122.530 122.261 0.269 1
1 472 . 2 1 1 A 84 84 GLU H H 84 9.690 7.841 1.849 1
1 473 . 2 1 1 A 84 84 GLU HA H 84 4.240 4.120 0.120 1
1 477 . 2 1 1 A 84 84 GLU CA C 84 60.040 59.213 0.827 1
1 478 . 2 1 1 A 84 84 GLU CB C 84 28.640 29.157 -0.517 1
1 480 . 2 1 1 A 84 84 GLU N N 84 117.940 119.806 -1.866 1
1 481 . 2 1 1 A 85 85 SER H H 85 7.110 7.783 -0.673 1
1 482 . 2 1 1 A 85 85 SER HA H 85 4.130 3.990 0.140 1
1 485 . 2 1 1 A 85 85 SER CA C 85 61.840 61.316 0.524 1
1 486 . 2 1 1 A 85 85 SER CB C 85 62.400 62.254 0.146 1
1 487 . 2 1 1 A 85 85 SER N N 85 115.500 116.243 -0.743 1
1 488 . 2 1 1 A 86 86 ALA H H 86 6.860 7.885 -1.025 1
1 489 . 2 1 1 A 86 86 ALA HA H 86 4.080 4.519 -0.439 1
1 493 . 2 1 1 A 86 86 ALA CA C 86 55.210 55.175 0.035 1
1 494 . 2 1 1 A 86 86 ALA CB C 86 18.070 18.523 -0.453 1
1 495 . 2 1 1 A 86 86 ALA N N 86 122.760 123.248 -0.488 1
1 496 . 2 1 1 A 87 87 ASP H H 87 7.680 8.136 -0.456 1
1 497 . 2 1 1 A 87 87 ASP HA H 87 4.390 4.376 0.014 1
1 500 . 2 1 1 A 87 87 ASP CA C 87 57.470 57.889 -0.419 1
1 501 . 2 1 1 A 87 87 ASP CB C 87 40.850 41.999 -1.149 1
1 502 . 2 1 1 A 87 87 ASP N N 87 115.980 118.677 -2.697 1
1 503 . 2 1 1 A 88 88 GLN H H 88 7.670 8.042 -0.372 1
1 504 . 2 1 1 A 88 88 GLN HA H 88 4.040 4.110 -0.070 1
1 511 . 2 1 1 A 88 88 GLN CA C 88 58.500 58.931 -0.431 1
1 512 . 2 1 1 A 88 88 GLN CB C 88 28.270 28.901 -0.631 1
1 514 . 2 1 1 A 88 88 GLN N N 88 119.920 119.039 0.881 1
1 516 . 2 1 1 A 89 89 ALA H H 89 7.950 7.577 0.373 1
1 517 . 2 1 1 A 89 89 ALA HA H 89 2.800 2.769 0.031 1
1 521 . 2 1 1 A 89 89 ALA CA C 89 54.930 54.517 0.413 1
1 522 . 2 1 1 A 89 89 ALA CB C 89 19.340 18.236 1.104 1
1 523 . 2 1 1 A 89 89 ALA N N 89 121.330 121.735 -0.405 1
1 524 . 2 1 1 A 90 90 VAL H H 90 8.030 8.770 -0.740 1
1 525 . 2 1 1 A 90 90 VAL HA H 90 3.370 3.466 -0.096 1
1 533 . 2 1 1 A 90 90 VAL CA C 90 67.090 66.650 0.440 1
1 534 . 2 1 1 A 90 90 VAL CB C 90 32.180 31.495 0.685 1
1 537 . 2 1 1 A 90 90 VAL N N 90 116.630 118.950 -2.320 1
1 538 . 2 1 1 A 91 91 ALA H H 91 7.350 8.183 -0.833 1
1 539 . 2 1 1 A 91 91 ALA HA H 91 4.130 4.070 0.060 1
1 543 . 2 1 1 A 91 91 ALA CA C 91 54.810 55.249 -0.439 1
1 544 . 2 1 1 A 91 91 ALA CB C 91 18.330 18.061 0.269 1
1 545 . 2 1 1 A 91 91 ALA N N 91 119.620 121.781 -2.161 1
1 546 . 2 1 1 A 92 92 GLU H H 92 7.960 7.591 0.369 1
1 547 . 2 1 1 A 92 92 GLU HA H 92 4.360 4.209 0.151 1
1 552 . 2 1 1 A 92 92 GLU CA C 92 57.930 58.722 -0.792 1
1 553 . 2 1 1 A 92 92 GLU CB C 92 30.980 30.076 0.904 1
1 555 . 2 1 1 A 92 92 GLU N N 92 113.770 117.969 -4.199 1
1 556 . 2 1 1 A 93 93 LEU H H 93 8.310 8.582 -0.272 1
1 557 . 2 1 1 A 93 93 LEU HA H 93 4.620 4.032 0.588 1
1 567 . 2 1 1 A 93 93 LEU CA C 93 55.810 57.270 -1.460 1
1 568 . 2 1 1 A 93 93 LEU CB C 93 44.130 42.034 2.096 1
1 572 . 2 1 1 A 93 93 LEU N N 93 114.550 119.346 -4.796 1
1 573 . 2 1 1 A 94 94 ASN H H 94 7.910 8.019 -0.109 1
1 574 . 2 1 1 A 94 94 ASN HA H 94 4.430 4.356 0.074 1
1 577 . 2 1 1 A 94 94 ASN CA C 94 56.690 54.969 1.721 1
1 578 . 2 1 1 A 94 94 ASN N N 94 116.840 117.672 -0.832 1
1 580 . 2 1 1 A 95 95 GLY H H 95 8.890 8.761 0.129 1
1 581 . 2 1 1 A 95 95 GLY HA2 H 95 3.960 3.897 0.063 1
1 582 . 2 1 1 A 95 95 GLY HA3 H 95 4.290 3.899 0.391 1
1 583 . 2 1 1 A 95 95 GLY CA C 95 46.090 46.134 -0.044 1
1 584 . 2 1 1 A 95 95 GLY N N 95 116.350 113.600 2.750 1
1 585 . 2 1 1 A 96 96 THR H H 96 7.860 7.670 0.190 1
1 586 . 2 1 1 A 96 96 THR HA H 96 4.660 4.973 -0.313 1
1 591 . 2 1 1 A 96 96 THR CA C 96 60.880 59.292 1.588 1
1 592 . 2 1 1 A 96 96 THR CB C 96 71.090 72.293 -1.203 1
1 594 . 2 1 1 A 96 96 THR N N 96 113.920 110.794 3.126 1
1 595 . 2 1 1 A 97 97 GLN H H 97 8.360 8.807 -0.447 1
1 596 . 2 1 1 A 97 97 GLN HA H 97 5.210 5.171 0.039 1
1 602 . 2 1 1 A 97 97 GLN CA C 97 54.170 54.073 0.097 1
1 603 . 2 1 1 A 97 97 GLN CB C 97 30.470 32.266 -1.796 1
1 605 . 2 1 1 A 97 97 GLN N N 97 119.550 121.980 -2.430 1
1 607 . 2 1 1 A 98 98 VAL H H 98 8.900 8.896 0.004 1
1 608 . 2 1 1 A 98 98 VAL HA H 98 4.200 4.486 -0.286 1
1 616 . 2 1 1 A 98 98 VAL CA C 98 61.350 61.046 0.304 1
1 617 . 2 1 1 A 98 98 VAL CB C 98 33.600 32.447 1.153 1
1 620 . 2 1 1 A 98 98 VAL N N 98 127.260 125.753 1.507 1
1 621 . 2 1 1 A 99 99 GLU H H 99 9.160 8.576 0.584 1
1 622 . 2 1 1 A 99 99 GLU HA H 99 3.820 4.071 -0.251 1
1 625 . 2 1 1 A 99 99 GLU CA C 99 57.950 59.247 -1.297 1
1 626 . 2 1 1 A 99 99 GLU CB C 99 27.110 29.860 -2.750 1
1 628 . 2 1 1 A 99 99 GLU N N 99 124.200 123.524 0.676 1
1 629 . 2 1 1 A 100 100 SER H H 100 8.330 7.782 0.548 1
1 630 . 2 1 1 A 100 100 SER HA H 100 4.280 4.667 -0.387 1
1 633 . 2 1 1 A 100 100 SER CA C 100 59.780 57.695 2.085 1
1 634 . 2 1 1 A 100 100 SER CB C 100 63.300 64.441 -1.141 1
1 635 . 2 1 1 A 100 100 SER N N 100 111.660 111.574 0.086 1
1 636 . 2 1 1 A 101 101 VAL H H 101 8.410 7.663 0.747 1
1 637 . 2 1 1 A 101 101 VAL HA H 101 4.210 4.766 -0.556 1
1 645 . 2 1 1 A 101 101 VAL CA C 101 62.080 59.781 2.299 1
1 646 . 2 1 1 A 101 101 VAL CB C 101 33.200 36.862 -3.662 1
1 649 . 2 1 1 A 101 101 VAL N N 101 124.550 120.755 3.795 1
1 650 . 2 1 1 A 102 102 GLN H H 102 8.510 8.776 -0.266 1
1 651 . 2 1 1 A 102 102 GLN HA H 102 4.590 5.071 -0.481 1
1 658 . 2 1 1 A 102 102 GLN CA C 102 55.090 54.352 0.738 1
1 659 . 2 1 1 A 102 102 GLN CB C 102 28.620 32.116 -3.496 1
1 661 . 2 1 1 A 102 102 GLN N N 102 127.320 122.197 5.123 1
1 663 . 2 1 1 A 103 103 LEU H H 103 8.710 8.674 0.036 1
1 664 . 2 1 1 A 103 103 LEU HA H 103 5.050 5.537 -0.487 1
1 674 . 2 1 1 A 103 103 LEU CA C 103 54.740 53.434 1.306 1
1 675 . 2 1 1 A 103 103 LEU CB C 103 44.820 45.309 -0.489 1
1 679 . 2 1 1 A 103 103 LEU N N 103 126.610 124.745 1.865 1
1 680 . 2 1 1 A 104 104 LYS H H 104 8.690 9.089 -0.399 1
1 681 . 2 1 1 A 104 104 LYS HA H 104 5.030 5.059 -0.029 1
1 688 . 2 1 1 A 104 104 LYS CA C 104 55.480 54.962 0.518 1
1 689 . 2 1 1 A 104 104 LYS CB C 104 34.520 35.158 -0.638 1
1 693 . 2 1 1 A 104 104 LYS N N 104 124.080 124.035 0.045 1
1 694 . 2 1 1 A 105 105 VAL H H 105 9.050 8.917 0.133 1
1 695 . 2 1 1 A 105 105 VAL HA H 105 5.190 5.374 -0.184 1
1 703 . 2 1 1 A 105 105 VAL CA C 105 60.840 60.861 -0.021 1
1 704 . 2 1 1 A 105 105 VAL CB C 105 35.660 33.871 1.789 1
1 707 . 2 1 1 A 105 105 VAL N N 105 123.920 125.198 -1.278 1
1 708 . 2 1 1 A 106 106 ASN H H 106 9.300 8.698 0.602 1
1 709 . 2 1 1 A 106 106 ASN HA H 106 5.220 5.315 -0.095 1
1 714 . 2 1 1 A 106 106 ASN CA C 106 51.630 51.780 -0.150 1
1 715 . 2 1 1 A 106 106 ASN CB C 106 43.840 42.873 0.967 1
1 716 . 2 1 1 A 106 106 ASN N N 106 122.780 123.212 -0.432 1
1 718 . 2 1 1 A 107 107 ILE H H 107 9.050 8.650 0.400 1
1 719 . 2 1 1 A 107 107 ILE HA H 107 4.160 4.947 -0.787 1
1 729 . 2 1 1 A 107 107 ILE CA C 107 61.670 60.160 1.510 1
1 730 . 2 1 1 A 107 107 ILE CB C 107 36.140 39.843 -3.703 1
1 733 . 2 1 1 A 107 107 ILE N N 107 122.980 120.893 2.087 1
1 734 . 2 1 1 A 108 108 ALA H H 108 8.740 8.863 -0.123 1
1 735 . 2 1 1 A 108 108 ALA HA H 108 4.780 5.138 -0.358 1
1 739 . 2 1 1 A 108 108 ALA CA C 108 52.620 50.223 2.397 1
1 740 . 2 1 1 A 108 108 ALA CB C 108 19.570 23.620 -4.050 1
1 741 . 2 1 1 A 108 108 ALA N N 108 131.610 129.511 2.099 1
1 742 . 2 1 1 A 109 109 ARG HA H 109 4.390 4.569 -0.179 1
1 746 . 2 1 1 A 109 109 ARG CA C 109 56.120 55.404 0.716 1
1 747 . 2 1 1 A 109 109 ARG CB C 109 31.010 30.191 0.819 1
1 749 . 2 1 1 A 111 111 GLN HA H 111 4.630 4.673 -0.043 1
1 754 . 2 1 1 A 111 111 GLN CA C 111 55.160 53.020 2.140 1
1 755 . 2 1 1 A 111 111 GLN CB C 111 32.900 29.114 3.786 1
1 757 . 2 1 1 A 112 112 PRO HA H 112 4.370 4.484 -0.114 1
1 761 . 2 1 1 A 112 112 PRO CA C 112 64.090 64.049 0.041 1
1 762 . 2 1 1 A 112 112 PRO CB C 112 32.650 32.040 0.610 1
1 767 . 2 1 1 A 114 114 LEU H H 114 7.710 8.030 -0.320 1
1 768 . 2 1 1 A 114 114 LEU HA H 114 4.440 4.611 -0.171 1
1 777 . 2 1 1 A 114 114 LEU CB C 114 42.640 43.113 -0.473 1
1 780 . 2 1 1 A 114 114 LEU N N 114 123.050 119.772 3.278 1
1 781 . 2 1 1 A 115 115 ASP H H 115 8.440 8.384 0.056 1
1 782 . 2 1 1 A 115 115 ASP HA H 115 4.610 4.284 0.326 1
1 785 . 2 1 1 A 115 115 ASP CA C 115 54.620 55.598 -0.978 1
1 786 . 2 1 1 A 115 115 ASP CB C 115 40.720 39.110 1.610 1
1 787 . 2 1 1 A 115 115 ASP N N 115 119.520 116.105 3.415 1
1 788 . 2 1 1 A 116 116 ALA H H 116 8.060 8.123 -0.063 1
1 789 . 2 1 1 A 116 116 ALA HA H 116 4.320 4.408 -0.088 1
1 793 . 2 1 1 A 116 116 ALA CA C 116 53.080 54.782 -1.702 1
1 794 . 2 1 1 A 116 116 ALA CB C 116 19.000 17.933 1.067 1
1 795 . 2 1 1 A 116 116 ALA N N 116 123.460 113.587 9.873 1
1 796 . 2 1 1 A 117 117 ALA H H 117 8.110 8.225 -0.115 1
1 797 . 2 1 1 A 117 117 ALA HA H 117 4.640 4.539 0.101 1
1 801 . 2 1 1 A 117 117 ALA CA C 117 52.600 51.588 1.012 1
1 802 . 2 1 1 A 117 117 ALA CB C 117 19.360 20.012 -0.652 1
1 803 . 2 1 1 A 117 117 ALA N N 117 121.130 119.036 2.094 1
1 804 . 2 1 1 A 118 118 THR H H 118 8.060 7.775 0.285 1
1 805 . 2 1 1 A 118 118 THR HA H 118 4.430 4.139 0.291 1
1 810 . 2 1 1 A 118 118 THR CA C 118 62.130 64.559 -2.429 1
1 811 . 2 1 1 A 118 118 THR CB C 118 69.840 69.346 0.494 1
1 813 . 2 1 1 A 118 118 THR N N 118 112.100 113.483 -1.383 1
1 814 . 2 1 1 A 119 119 GLY H H 119 8.430 8.170 0.260 1
1 815 . 2 1 1 A 119 119 GLY N N 119 111.230 108.468 2.762 1
1 816 . 2 1 1 A 120 120 LYS H H 120 8.200 9.101 -0.901 1
1 817 . 2 1 1 A 120 120 LYS HA H 120 4.510 3.979 0.531 1
1 821 . 2 1 1 A 120 120 LYS CA C 120 56.110 57.339 -1.229 1
1 822 . 2 1 1 A 120 120 LYS CB C 120 33.270 30.464 2.806 1
1 823 . 2 1 1 A 120 120 LYS N N 120 121.180 119.130 2.050 1
1 17 . 3 1 1 A 37 37 ARG H H 37 8.370 8.474 -0.104 1
1 18 . 3 1 1 A 37 37 ARG N N 37 121.030 116.729 4.301 1
1 19 . 3 1 1 A 38 38 LYS H H 38 8.150 8.486 -0.336 1
1 20 . 3 1 1 A 38 38 LYS HA H 38 4.750 4.868 -0.118 1
1 25 . 3 1 1 A 38 38 LYS CA C 38 54.190 54.728 -0.538 1
1 26 . 3 1 1 A 38 38 LYS CB C 38 35.040 34.707 0.333 1
1 27 . 3 1 1 A 38 38 LYS N N 38 119.860 120.677 -0.817 1
1 28 . 3 1 1 A 39 39 GLY H H 39 8.710 9.283 -0.573 1
1 29 . 3 1 1 A 39 39 GLY HA3 H 39 4.050 4.281 -0.231 1
1 30 . 3 1 1 A 39 39 GLY CA C 39 45.460 45.766 -0.306 1
1 31 . 3 1 1 A 39 39 GLY N N 39 107.990 108.806 -0.816 1
1 32 . 3 1 1 A 40 40 ASN H H 40 8.300 9.078 -0.778 1
1 33 . 3 1 1 A 40 40 ASN HA H 40 4.850 4.914 -0.064 1
1 38 . 3 1 1 A 40 40 ASN CA C 40 54.110 53.770 0.340 1
1 39 . 3 1 1 A 40 40 ASN CB C 40 37.840 39.370 -1.530 1
1 40 . 3 1 1 A 40 40 ASN N N 40 115.650 122.720 -7.070 1
1 42 . 3 1 1 A 41 41 THR HA H 41 5.400 5.064 0.336 1
1 47 . 3 1 1 A 41 41 THR CA C 41 63.410 62.805 0.605 1
1 48 . 3 1 1 A 41 41 THR CB C 41 69.930 70.051 -0.121 1
1 50 . 3 1 1 A 42 42 LEU H H 42 9.900 9.054 0.846 1
1 51 . 3 1 1 A 42 42 LEU HA H 42 5.090 5.338 -0.248 1
1 61 . 3 1 1 A 42 42 LEU CA C 42 53.260 53.780 -0.520 1
1 62 . 3 1 1 A 42 42 LEU CB C 42 43.590 44.784 -1.194 1
1 66 . 3 1 1 A 42 42 LEU N N 42 127.870 125.356 2.514 1
1 67 . 3 1 1 A 43 43 TYR H H 43 9.190 8.707 0.483 1
1 68 . 3 1 1 A 43 43 TYR HA H 43 4.420 5.053 -0.633 1
1 71 . 3 1 1 A 43 43 TYR CB C 43 40.310 40.759 -0.449 1
1 72 . 3 1 1 A 43 43 TYR N N 43 124.140 124.973 -0.833 1
1 73 . 3 1 1 A 44 44 VAL H H 44 7.980 8.479 -0.499 1
1 74 . 3 1 1 A 44 44 VAL HA H 44 4.810 5.409 -0.599 1
1 82 . 3 1 1 A 44 44 VAL CA C 44 59.320 61.047 -1.727 1
1 83 . 3 1 1 A 44 44 VAL CB C 44 34.360 33.984 0.376 1
1 86 . 3 1 1 A 44 44 VAL N N 44 127.360 127.889 -0.529 1
1 87 . 3 1 1 A 45 45 TYR H H 45 9.020 8.724 0.296 1
1 88 . 3 1 1 A 45 45 TYR HA H 45 4.980 5.327 -0.347 1
1 94 . 3 1 1 A 45 45 TYR CA C 45 55.680 55.709 -0.029 1
1 95 . 3 1 1 A 45 45 TYR CB C 45 42.210 42.387 -0.177 1
1 96 . 3 1 1 A 45 45 TYR N N 45 126.390 127.704 -1.314 1
1 97 . 3 1 1 A 46 46 GLY H H 46 7.510 7.278 0.232 1
1 98 . 3 1 1 A 46 46 GLY HA2 H 46 3.830 4.005 -0.175 1
1 99 . 3 1 1 A 46 46 GLY HA3 H 46 3.830 4.021 -0.191 1
1 100 . 3 1 1 A 46 46 GLY CA C 46 45.360 45.996 -0.636 1
1 101 . 3 1 1 A 46 46 GLY N N 46 114.220 111.212 3.008 1
1 102 . 3 1 1 A 47 47 GLU H H 47 8.750 8.641 0.109 1
1 103 . 3 1 1 A 47 47 GLU HA H 47 3.990 4.599 -0.609 1
1 108 . 3 1 1 A 47 47 GLU CA C 47 56.720 54.588 2.132 1
1 109 . 3 1 1 A 47 47 GLU CB C 47 30.460 32.629 -2.169 1
1 111 . 3 1 1 A 47 47 GLU N N 47 123.880 120.342 3.538 1
1 112 . 3 1 1 A 48 48 ASP H H 48 8.540 8.686 -0.146 1
1 113 . 3 1 1 A 48 48 ASP HA H 48 4.250 4.066 0.184 1
1 116 . 3 1 1 A 48 48 ASP CA C 48 55.210 54.941 0.269 1
1 117 . 3 1 1 A 48 48 ASP CB C 48 39.150 39.360 -0.210 1
1 118 . 3 1 1 A 48 48 ASP N N 48 117.200 117.990 -0.790 1
1 119 . 3 1 1 A 49 49 MET H H 49 8.190 7.933 0.257 1
1 120 . 3 1 1 A 49 49 MET HA H 49 4.120 4.622 -0.502 1
1 126 . 3 1 1 A 49 49 MET CA C 49 57.510 54.404 3.106 1
1 127 . 3 1 1 A 49 49 MET CB C 49 34.620 32.876 1.744 1
1 129 . 3 1 1 A 49 49 MET N N 49 114.560 118.019 -3.459 1
1 130 . 3 1 1 A 50 50 THR H H 50 6.510 8.376 -1.866 1
1 131 . 3 1 1 A 50 50 THR HA H 50 5.020 4.972 0.048 1
1 136 . 3 1 1 A 50 50 THR CA C 50 57.960 58.572 -0.612 1
1 137 . 3 1 1 A 50 50 THR CB C 50 70.150 69.788 0.362 1
1 139 . 3 1 1 A 50 50 THR N N 50 108.060 115.230 -7.170 1
1 140 . 3 1 1 A 51 51 PRO HA H 51 4.340 4.262 0.078 1
1 146 . 3 1 1 A 51 51 PRO CA C 51 65.790 65.632 0.158 1
1 147 . 3 1 1 A 51 51 PRO CB C 51 31.780 31.784 -0.004 1
1 150 . 3 1 1 A 52 52 THR H H 52 7.640 7.759 -0.119 1
1 151 . 3 1 1 A 52 52 THR HA H 52 3.980 4.022 -0.042 1
1 156 . 3 1 1 A 52 52 THR CA C 52 66.160 65.638 0.522 1
1 157 . 3 1 1 A 52 52 THR CB C 52 68.430 68.131 0.299 1
1 159 . 3 1 1 A 52 52 THR N N 52 111.520 111.851 -0.331 1
1 160 . 3 1 1 A 53 53 LEU H H 53 7.810 8.033 -0.223 1
1 161 . 3 1 1 A 53 53 LEU HA H 53 4.130 4.130 0.000 1
1 171 . 3 1 1 A 53 53 LEU CA C 53 58.360 58.182 0.178 1
1 172 . 3 1 1 A 53 53 LEU CB C 53 42.970 41.789 1.181 1
1 176 . 3 1 1 A 53 53 LEU N N 53 125.410 121.831 3.579 1
1 177 . 3 1 1 A 54 54 LEU H H 54 7.840 8.120 -0.280 1
1 178 . 3 1 1 A 54 54 LEU HA H 54 4.260 4.020 0.240 1
1 188 . 3 1 1 A 54 54 LEU CA C 54 57.580 58.334 -0.754 1
1 189 . 3 1 1 A 54 54 LEU CB C 54 42.330 41.345 0.985 1
1 193 . 3 1 1 A 54 54 LEU N N 54 117.150 118.355 -1.205 1
1 194 . 3 1 1 A 55 55 ARG H H 55 9.020 8.599 0.421 1
1 195 . 3 1 1 A 55 55 ARG HA H 55 3.880 4.138 -0.258 1
1 202 . 3 1 1 A 55 55 ARG CA C 55 60.890 59.209 1.681 1
1 203 . 3 1 1 A 55 55 ARG CB C 55 29.580 29.874 -0.294 1
1 206 . 3 1 1 A 55 55 ARG N N 55 120.050 117.710 2.340 1
1 207 . 3 1 1 A 56 56 GLY H H 56 8.180 8.204 -0.024 1
1 208 . 3 1 1 A 56 56 GLY HA2 H 56 3.940 3.895 0.045 1
1 209 . 3 1 1 A 56 56 GLY HA3 H 56 4.100 3.911 0.189 1
1 210 . 3 1 1 A 56 56 GLY CA C 56 47.210 46.990 0.220 1
1 211 . 3 1 1 A 56 56 GLY N N 56 106.700 108.108 -1.408 1
1 212 . 3 1 1 A 57 57 ALA H H 57 7.830 7.931 -0.101 1
1 213 . 3 1 1 A 57 57 ALA HA H 57 4.360 4.101 0.259 1
1 217 . 3 1 1 A 57 57 ALA CA C 57 53.590 54.391 -0.801 1
1 218 . 3 1 1 A 57 57 ALA CB C 57 19.050 18.301 0.749 1
1 219 . 3 1 1 A 57 57 ALA N N 57 120.270 124.702 -4.432 1
1 220 . 3 1 1 A 58 58 PHE H H 58 8.600 8.165 0.435 1
1 221 . 3 1 1 A 58 58 PHE HA H 58 4.790 5.700 -0.910 1
1 227 . 3 1 1 A 58 58 PHE CA C 58 60.210 57.707 2.503 1
1 228 . 3 1 1 A 58 58 PHE CB C 58 38.390 39.592 -1.202 1
1 229 . 3 1 1 A 58 58 PHE N N 58 110.250 116.831 -6.581 1
1 230 . 3 1 1 A 59 59 SER H H 59 8.610 7.993 0.617 1
1 231 . 3 1 1 A 59 59 SER HA H 59 4.810 4.445 0.365 1
1 234 . 3 1 1 A 59 59 SER CA C 59 63.540 62.694 0.846 1
1 235 . 3 1 1 A 59 59 SER CB C 59 62.910 62.601 0.309 1
1 236 . 3 1 1 A 59 59 SER N N 59 122.860 116.870 5.990 1
1 237 . 3 1 1 A 60 60 PRO HA H 60 4.280 4.306 -0.026 1
1 244 . 3 1 1 A 60 60 PRO CA C 60 65.680 65.615 0.065 1
1 245 . 3 1 1 A 60 60 PRO CB C 60 31.420 30.413 1.007 1
1 248 . 3 1 1 A 61 61 PHE H H 61 6.850 8.699 -1.849 1
1 249 . 3 1 1 A 61 61 PHE HA H 61 4.510 4.223 0.287 1
1 257 . 3 1 1 A 61 61 PHE CA C 61 58.310 60.885 -2.575 1
1 258 . 3 1 1 A 61 61 PHE CB C 61 38.920 38.725 0.195 1
1 259 . 3 1 1 A 61 61 PHE N N 61 109.700 116.850 -7.150 1
1 260 . 3 1 1 A 62 62 GLY H H 62 7.800 7.479 0.321 1
1 261 . 3 1 1 A 62 62 GLY HA2 H 62 4.090 3.856 0.234 1
1 262 . 3 1 1 A 62 62 GLY HA3 H 62 4.290 4.046 0.244 1
1 263 . 3 1 1 A 62 62 GLY CA C 62 45.290 45.553 -0.263 1
1 264 . 3 1 1 A 62 62 GLY N N 62 106.520 103.769 2.751 1
1 265 . 3 1 1 A 63 63 ASN H H 63 8.520 8.537 -0.017 1
1 266 . 3 1 1 A 63 63 ASN HA H 63 4.920 5.145 -0.225 1
1 271 . 3 1 1 A 63 63 ASN CA C 63 52.930 53.342 -0.412 1
1 272 . 3 1 1 A 63 63 ASN CB C 63 38.630 39.817 -1.187 1
1 273 . 3 1 1 A 63 63 ASN N N 63 117.020 118.350 -1.330 1
1 275 . 3 1 1 A 64 64 ILE H H 64 8.750 8.989 -0.239 1
1 276 . 3 1 1 A 64 64 ILE HA H 64 4.100 4.908 -0.808 1
1 286 . 3 1 1 A 64 64 ILE CA C 64 61.940 60.685 1.255 1
1 287 . 3 1 1 A 64 64 ILE CB C 64 38.780 38.730 0.050 1
1 291 . 3 1 1 A 64 64 ILE N N 64 127.930 125.073 2.857 1
1 292 . 3 1 1 A 65 65 ILE H H 65 8.910 8.631 0.279 1
1 293 . 3 1 1 A 65 65 ILE HA H 65 4.490 4.351 0.139 1
1 303 . 3 1 1 A 65 65 ILE CA C 65 61.310 61.670 -0.360 1
1 304 . 3 1 1 A 65 65 ILE CB C 65 38.470 38.796 -0.326 1
1 308 . 3 1 1 A 65 65 ILE N N 65 124.530 122.783 1.747 1
1 309 . 3 1 1 A 66 66 ASP H H 66 7.520 7.822 -0.302 1
1 310 . 3 1 1 A 66 66 ASP HA H 66 4.700 5.065 -0.365 1
1 313 . 3 1 1 A 66 66 ASP CA C 66 55.520 53.869 1.651 1
1 314 . 3 1 1 A 66 66 ASP CB C 66 45.290 43.102 2.188 1
1 315 . 3 1 1 A 66 66 ASP N N 66 119.140 121.127 -1.987 1
1 316 . 3 1 1 A 67 67 LEU H H 67 8.230 8.801 -0.571 1
1 317 . 3 1 1 A 67 67 LEU HA H 67 4.980 4.968 0.012 1
1 326 . 3 1 1 A 67 67 LEU CA C 67 54.980 53.689 1.291 1
1 327 . 3 1 1 A 67 67 LEU CB C 67 44.440 44.315 0.125 1
1 330 . 3 1 1 A 67 67 LEU N N 67 127.890 128.727 -0.837 1
1 331 . 3 1 1 A 68 68 SER H H 68 8.810 8.997 -0.187 1
1 332 . 3 1 1 A 68 68 SER HA H 68 4.970 5.273 -0.303 1
1 335 . 3 1 1 A 68 68 SER CA C 68 57.170 56.558 0.612 1
1 336 . 3 1 1 A 68 68 SER CB C 68 65.320 65.885 -0.565 1
1 337 . 3 1 1 A 68 68 SER N N 68 122.560 121.338 1.222 1
1 338 . 3 1 1 A 69 69 MET H H 69 9.050 8.892 0.158 1
1 339 . 3 1 1 A 69 69 MET HA H 69 4.740 5.178 -0.438 1
1 345 . 3 1 1 A 69 69 MET CA C 69 54.520 54.255 0.265 1
1 348 . 3 1 1 A 69 69 MET N N 69 122.420 123.036 -0.616 1
1 349 . 3 1 1 A 70 70 ASP H H 70 8.620 8.766 -0.146 1
1 350 . 3 1 1 A 70 70 ASP HA H 70 5.140 5.314 -0.174 1
1 353 . 3 1 1 A 70 70 ASP CA C 70 51.410 50.702 0.708 1
1 354 . 3 1 1 A 70 70 ASP CB C 70 40.930 42.373 -1.443 1
1 355 . 3 1 1 A 70 70 ASP N N 70 120.620 122.170 -1.550 1
1 356 . 3 1 1 A 71 71 PRO HA H 71 4.760 4.380 0.380 1
1 359 . 3 1 1 A 71 71 PRO CA C 71 66.380 64.395 1.985 1
1 361 . 3 1 1 A 72 72 PRO HA H 72 4.520 4.368 0.152 1
1 368 . 3 1 1 A 72 72 PRO CA C 72 65.750 65.132 0.618 1
1 369 . 3 1 1 A 72 72 PRO CB C 72 31.570 31.302 0.268 1
1 371 . 3 1 1 A 73 73 ARG H H 73 7.360 7.537 -0.177 1
1 372 . 3 1 1 A 73 73 ARG HA H 73 4.570 4.525 0.045 1
1 378 . 3 1 1 A 73 73 ARG CA C 73 55.160 55.453 -0.293 1
1 379 . 3 1 1 A 73 73 ARG CB C 73 29.000 30.867 -1.867 1
1 382 . 3 1 1 A 73 73 ARG N N 73 114.560 116.339 -1.779 1
1 383 . 3 1 1 A 74 74 ASN H H 74 8.440 7.977 0.463 1
1 384 . 3 1 1 A 74 74 ASN HA H 74 4.270 4.132 0.138 1
1 389 . 3 1 1 A 74 74 ASN CA C 74 53.830 54.565 -0.735 1
1 390 . 3 1 1 A 74 74 ASN CB C 74 37.500 36.503 0.997 1
1 391 . 3 1 1 A 74 74 ASN N N 74 115.460 115.160 0.300 1
1 393 . 3 1 1 A 75 75 CYS H H 75 7.270 7.516 -0.246 1
1 394 . 3 1 1 A 75 75 CYS HA H 75 5.730 5.116 0.614 1
1 396 . 3 1 1 A 75 75 CYS CA C 75 55.420 57.107 -1.687 1
1 397 . 3 1 1 A 75 75 CYS CB C 75 32.640 30.837 1.803 1
1 398 . 3 1 1 A 75 75 CYS N N 75 127.180 113.424 13.756 1
1 399 . 3 1 1 A 76 76 ALA H H 76 8.590 8.149 0.441 1
1 403 . 3 1 1 A 76 76 ALA CB C 76 24.400 22.163 2.237 1
1 404 . 3 1 1 A 76 76 ALA N N 76 122.120 125.377 -3.257 1
1 405 . 3 1 1 A 77 77 PHE H H 77 8.780 9.531 -0.751 1
1 406 . 3 1 1 A 77 77 PHE HA H 77 5.620 5.642 -0.022 1
1 407 . 3 1 1 A 77 77 PHE CA C 77 55.850 56.599 -0.749 1
1 408 . 3 1 1 A 77 77 PHE N N 77 115.390 117.834 -2.444 1
1 409 . 3 1 1 A 78 78 VAL H H 78 8.580 8.714 -0.134 1
1 410 . 3 1 1 A 78 78 VAL HA H 78 4.300 4.574 -0.274 1
1 418 . 3 1 1 A 78 78 VAL CA C 78 60.960 60.508 0.452 1
1 419 . 3 1 1 A 78 78 VAL CB C 78 34.360 33.801 0.559 1
1 422 . 3 1 1 A 78 78 VAL N N 78 126.440 122.393 4.047 1
1 423 . 3 1 1 A 79 79 THR H H 79 8.960 8.183 0.777 1
1 424 . 3 1 1 A 79 79 THR HA H 79 5.330 5.358 -0.028 1
1 429 . 3 1 1 A 79 79 THR CA C 79 61.940 62.001 -0.061 1
1 430 . 3 1 1 A 79 79 THR CB C 79 69.910 70.412 -0.502 1
1 432 . 3 1 1 A 79 79 THR N N 79 123.990 123.513 0.477 1
1 433 . 3 1 1 A 80 80 TYR H H 80 8.880 9.152 -0.272 1
1 434 . 3 1 1 A 80 80 TYR HA H 80 5.400 5.019 0.381 1
1 437 . 3 1 1 A 80 80 TYR CA C 80 57.660 56.585 1.075 1
1 438 . 3 1 1 A 80 80 TYR CB C 80 42.220 41.414 0.806 1
1 439 . 3 1 1 A 80 80 TYR N N 80 126.670 124.656 2.014 1
1 440 . 3 1 1 A 81 81 GLU H H 81 8.490 8.839 -0.349 1
1 441 . 3 1 1 A 81 81 GLU HA H 81 4.110 4.127 -0.017 1
1 446 . 3 1 1 A 81 81 GLU CA C 81 59.290 59.612 -0.322 1
1 447 . 3 1 1 A 81 81 GLU CB C 81 31.210 29.608 1.602 1
1 449 . 3 1 1 A 81 81 GLU N N 81 119.690 125.078 -5.388 1
1 450 . 3 1 1 A 82 82 LYS H H 82 8.460 7.840 0.620 1
1 451 . 3 1 1 A 82 82 LYS HA H 82 5.020 4.623 0.397 1
1 457 . 3 1 1 A 82 82 LYS CA C 82 54.140 54.783 -0.643 1
1 458 . 3 1 1 A 82 82 LYS CB C 82 34.420 35.329 -0.909 1
1 462 . 3 1 1 A 82 82 LYS N N 82 113.920 117.624 -3.704 1
1 463 . 3 1 1 A 83 83 MET H H 83 9.100 9.141 -0.041 1
1 464 . 3 1 1 A 83 83 MET HA H 83 4.070 4.341 -0.271 1
1 468 . 3 1 1 A 83 83 MET CA C 83 59.570 57.864 1.706 1
1 469 . 3 1 1 A 83 83 MET CB C 83 32.420 32.096 0.324 1
1 471 . 3 1 1 A 83 83 MET N N 83 122.530 123.609 -1.079 1
1 472 . 3 1 1 A 84 84 GLU H H 84 9.690 7.915 1.775 1
1 473 . 3 1 1 A 84 84 GLU HA H 84 4.240 4.060 0.180 1
1 477 . 3 1 1 A 84 84 GLU CA C 84 60.040 59.251 0.789 1
1 478 . 3 1 1 A 84 84 GLU CB C 84 28.640 29.366 -0.726 1
1 480 . 3 1 1 A 84 84 GLU N N 84 117.940 121.405 -3.465 1
1 481 . 3 1 1 A 85 85 SER H H 85 7.110 7.643 -0.533 1
1 482 . 3 1 1 A 85 85 SER HA H 85 4.130 3.981 0.149 1
1 485 . 3 1 1 A 85 85 SER CA C 85 61.840 61.406 0.434 1
1 486 . 3 1 1 A 85 85 SER CB C 85 62.400 62.282 0.118 1
1 487 . 3 1 1 A 85 85 SER N N 85 115.500 116.298 -0.798 1
1 488 . 3 1 1 A 86 86 ALA H H 86 6.860 8.248 -1.388 1
1 489 . 3 1 1 A 86 86 ALA HA H 86 4.080 4.350 -0.270 1
1 493 . 3 1 1 A 86 86 ALA CA C 86 55.210 55.512 -0.302 1
1 494 . 3 1 1 A 86 86 ALA CB C 86 18.070 18.546 -0.476 1
1 495 . 3 1 1 A 86 86 ALA N N 86 122.760 122.236 0.524 1
1 496 . 3 1 1 A 87 87 ASP H H 87 7.680 8.054 -0.374 1
1 497 . 3 1 1 A 87 87 ASP HA H 87 4.390 4.363 0.027 1
1 500 . 3 1 1 A 87 87 ASP CA C 87 57.470 57.684 -0.214 1
1 501 . 3 1 1 A 87 87 ASP CB C 87 40.850 41.733 -0.883 1
1 502 . 3 1 1 A 87 87 ASP N N 87 115.980 118.523 -2.543 1
1 503 . 3 1 1 A 88 88 GLN H H 88 7.670 8.022 -0.352 1
1 504 . 3 1 1 A 88 88 GLN HA H 88 4.040 4.098 -0.058 1
1 511 . 3 1 1 A 88 88 GLN CA C 88 58.500 58.919 -0.419 1
1 512 . 3 1 1 A 88 88 GLN CB C 88 28.270 28.878 -0.608 1
1 514 . 3 1 1 A 88 88 GLN N N 88 119.920 119.102 0.818 1
1 516 . 3 1 1 A 89 89 ALA H H 89 7.950 7.838 0.112 1
1 517 . 3 1 1 A 89 89 ALA HA H 89 2.800 2.309 0.491 1
1 521 . 3 1 1 A 89 89 ALA CA C 89 54.930 54.227 0.703 1
1 522 . 3 1 1 A 89 89 ALA CB C 89 19.340 17.624 1.716 1
1 523 . 3 1 1 A 89 89 ALA N N 89 121.330 121.648 -0.318 1
1 524 . 3 1 1 A 90 90 VAL H H 90 8.030 8.755 -0.725 1
1 525 . 3 1 1 A 90 90 VAL HA H 90 3.370 3.584 -0.214 1
1 533 . 3 1 1 A 90 90 VAL CA C 90 67.090 66.061 1.029 1
1 534 . 3 1 1 A 90 90 VAL CB C 90 32.180 31.600 0.580 1
1 537 . 3 1 1 A 90 90 VAL N N 90 116.630 118.323 -1.693 1
1 538 . 3 1 1 A 91 91 ALA H H 91 7.350 7.789 -0.439 1
1 539 . 3 1 1 A 91 91 ALA HA H 91 4.130 4.100 0.030 1
1 543 . 3 1 1 A 91 91 ALA CA C 91 54.810 55.169 -0.359 1
1 544 . 3 1 1 A 91 91 ALA CB C 91 18.330 18.956 -0.626 1
1 545 . 3 1 1 A 91 91 ALA N N 91 119.620 122.087 -2.467 1
1 546 . 3 1 1 A 92 92 GLU H H 92 7.960 8.042 -0.082 1
1 547 . 3 1 1 A 92 92 GLU HA H 92 4.360 4.056 0.304 1
1 552 . 3 1 1 A 92 92 GLU CA C 92 57.930 59.728 -1.798 1
1 553 . 3 1 1 A 92 92 GLU CB C 92 30.980 30.673 0.307 1
1 555 . 3 1 1 A 92 92 GLU N N 92 113.770 118.261 -4.491 1
1 556 . 3 1 1 A 93 93 LEU H H 93 8.310 8.611 -0.301 1
1 557 . 3 1 1 A 93 93 LEU HA H 93 4.620 3.994 0.626 1
1 567 . 3 1 1 A 93 93 LEU CA C 93 55.810 57.590 -1.780 1
1 568 . 3 1 1 A 93 93 LEU CB C 93 44.130 41.231 2.899 1
1 572 . 3 1 1 A 93 93 LEU N N 93 114.550 120.079 -5.529 1
1 573 . 3 1 1 A 94 94 ASN H H 94 7.910 7.638 0.272 1
1 574 . 3 1 1 A 94 94 ASN HA H 94 4.430 4.352 0.078 1
1 577 . 3 1 1 A 94 94 ASN CA C 94 56.690 54.976 1.714 1
1 578 . 3 1 1 A 94 94 ASN N N 94 116.840 117.577 -0.737 1
1 580 . 3 1 1 A 95 95 GLY H H 95 8.890 8.886 0.004 1
1 581 . 3 1 1 A 95 95 GLY HA2 H 95 3.960 3.930 0.030 1
1 582 . 3 1 1 A 95 95 GLY HA3 H 95 4.290 3.933 0.357 1
1 583 . 3 1 1 A 95 95 GLY CA C 95 46.090 45.848 0.242 1
1 584 . 3 1 1 A 95 95 GLY N N 95 116.350 113.690 2.660 1
1 585 . 3 1 1 A 96 96 THR H H 96 7.860 7.313 0.547 1
1 586 . 3 1 1 A 96 96 THR HA H 96 4.660 4.956 -0.296 1
1 591 . 3 1 1 A 96 96 THR CA C 96 60.880 59.543 1.337 1
1 592 . 3 1 1 A 96 96 THR CB C 96 71.090 71.871 -0.781 1
1 594 . 3 1 1 A 96 96 THR N N 96 113.920 111.494 2.426 1
1 595 . 3 1 1 A 97 97 GLN H H 97 8.360 8.694 -0.334 1
1 596 . 3 1 1 A 97 97 GLN HA H 97 5.210 5.112 0.098 1
1 602 . 3 1 1 A 97 97 GLN CA C 97 54.170 54.487 -0.317 1
1 603 . 3 1 1 A 97 97 GLN CB C 97 30.470 32.504 -2.034 1
1 605 . 3 1 1 A 97 97 GLN N N 97 119.550 120.929 -1.379 1
1 607 . 3 1 1 A 98 98 VAL H H 98 8.900 9.093 -0.193 1
1 608 . 3 1 1 A 98 98 VAL HA H 98 4.200 4.455 -0.255 1
1 616 . 3 1 1 A 98 98 VAL CA C 98 61.350 60.770 0.580 1
1 617 . 3 1 1 A 98 98 VAL CB C 98 33.600 32.907 0.693 1
1 620 . 3 1 1 A 98 98 VAL N N 98 127.260 124.618 2.642 1
1 621 . 3 1 1 A 99 99 GLU H H 99 9.160 8.599 0.561 1
1 622 . 3 1 1 A 99 99 GLU HA H 99 3.820 4.054 -0.234 1
1 625 . 3 1 1 A 99 99 GLU CA C 99 57.950 59.358 -1.408 1
1 626 . 3 1 1 A 99 99 GLU CB C 99 27.110 29.721 -2.611 1
1 628 . 3 1 1 A 99 99 GLU N N 99 124.200 123.350 0.850 1
1 629 . 3 1 1 A 100 100 SER H H 100 8.330 7.897 0.433 1
1 630 . 3 1 1 A 100 100 SER HA H 100 4.280 4.647 -0.367 1
1 633 . 3 1 1 A 100 100 SER CA C 100 59.780 57.679 2.101 1
1 634 . 3 1 1 A 100 100 SER CB C 100 63.300 64.538 -1.238 1
1 635 . 3 1 1 A 100 100 SER N N 100 111.660 111.261 0.399 1
1 636 . 3 1 1 A 101 101 VAL H H 101 8.410 7.595 0.815 1
1 637 . 3 1 1 A 101 101 VAL HA H 101 4.210 4.835 -0.625 1
1 645 . 3 1 1 A 101 101 VAL CA C 101 62.080 59.792 2.288 1
1 646 . 3 1 1 A 101 101 VAL CB C 101 33.200 35.615 -2.415 1
1 649 . 3 1 1 A 101 101 VAL N N 101 124.550 120.486 4.064 1
1 650 . 3 1 1 A 102 102 GLN H H 102 8.510 8.561 -0.051 1
1 651 . 3 1 1 A 102 102 GLN HA H 102 4.590 4.675 -0.085 1
1 658 . 3 1 1 A 102 102 GLN CA C 102 55.090 55.890 -0.800 1
1 659 . 3 1 1 A 102 102 GLN CB C 102 28.620 30.192 -1.572 1
1 661 . 3 1 1 A 102 102 GLN N N 102 127.320 126.739 0.581 1
1 663 . 3 1 1 A 103 103 LEU H H 103 8.710 8.959 -0.249 1
1 664 . 3 1 1 A 103 103 LEU HA H 103 5.050 5.073 -0.023 1
1 674 . 3 1 1 A 103 103 LEU CA C 103 54.740 53.312 1.428 1
1 675 . 3 1 1 A 103 103 LEU CB C 103 44.820 44.593 0.227 1
1 679 . 3 1 1 A 103 103 LEU N N 103 126.610 124.399 2.211 1
1 680 . 3 1 1 A 104 104 LYS H H 104 8.690 8.819 -0.129 1
1 681 . 3 1 1 A 104 104 LYS HA H 104 5.030 5.043 -0.013 1
1 688 . 3 1 1 A 104 104 LYS CA C 104 55.480 54.927 0.553 1
1 689 . 3 1 1 A 104 104 LYS CB C 104 34.520 35.166 -0.646 1
1 693 . 3 1 1 A 104 104 LYS N N 104 124.080 122.784 1.296 1
1 694 . 3 1 1 A 105 105 VAL H H 105 9.050 8.802 0.248 1
1 695 . 3 1 1 A 105 105 VAL HA H 105 5.190 5.089 0.101 1
1 703 . 3 1 1 A 105 105 VAL CA C 105 60.840 60.646 0.194 1
1 704 . 3 1 1 A 105 105 VAL CB C 105 35.660 34.958 0.702 1
1 707 . 3 1 1 A 105 105 VAL N N 105 123.920 123.235 0.685 1
1 708 . 3 1 1 A 106 106 ASN H H 106 9.300 8.756 0.544 1
1 709 . 3 1 1 A 106 106 ASN HA H 106 5.220 5.305 -0.085 1
1 714 . 3 1 1 A 106 106 ASN CA C 106 51.630 51.688 -0.058 1
1 715 . 3 1 1 A 106 106 ASN CB C 106 43.840 43.344 0.496 1
1 716 . 3 1 1 A 106 106 ASN N N 106 122.780 122.712 0.068 1
1 718 . 3 1 1 A 107 107 ILE H H 107 9.050 8.657 0.393 1
1 719 . 3 1 1 A 107 107 ILE HA H 107 4.160 4.844 -0.684 1
1 729 . 3 1 1 A 107 107 ILE CA C 107 61.670 60.208 1.462 1
1 730 . 3 1 1 A 107 107 ILE CB C 107 36.140 39.418 -3.278 1
1 733 . 3 1 1 A 107 107 ILE N N 107 122.980 120.620 2.360 1
1 734 . 3 1 1 A 108 108 ALA H H 108 8.740 9.329 -0.589 1
1 735 . 3 1 1 A 108 108 ALA HA H 108 4.780 5.289 -0.509 1
1 739 . 3 1 1 A 108 108 ALA CA C 108 52.620 50.526 2.094 1
1 740 . 3 1 1 A 108 108 ALA CB C 108 19.570 21.562 -1.992 1
1 741 . 3 1 1 A 108 108 ALA N N 108 131.610 130.164 1.446 1
1 742 . 3 1 1 A 109 109 ARG HA H 109 4.390 4.592 -0.202 1
1 746 . 3 1 1 A 109 109 ARG CA C 109 56.120 55.722 0.398 1
1 747 . 3 1 1 A 109 109 ARG CB C 109 31.010 30.318 0.692 1
1 749 . 3 1 1 A 111 111 GLN HA H 111 4.630 4.239 0.391 1
1 754 . 3 1 1 A 111 111 GLN CA C 111 55.160 53.969 1.191 1
1 755 . 3 1 1 A 111 111 GLN CB C 111 32.900 29.775 3.125 1
1 757 . 3 1 1 A 112 112 PRO HA H 112 4.370 4.518 -0.148 1
1 761 . 3 1 1 A 112 112 PRO CA C 112 64.090 64.021 0.069 1
1 762 . 3 1 1 A 112 112 PRO CB C 112 32.650 32.121 0.529 1
1 767 . 3 1 1 A 114 114 LEU H H 114 7.710 7.891 -0.181 1
1 768 . 3 1 1 A 114 114 LEU HA H 114 4.440 4.584 -0.144 1
1 777 . 3 1 1 A 114 114 LEU CB C 114 42.640 43.370 -0.730 1
1 780 . 3 1 1 A 114 114 LEU N N 114 123.050 119.323 3.727 1
1 781 . 3 1 1 A 115 115 ASP H H 115 8.440 8.353 0.087 1
1 782 . 3 1 1 A 115 115 ASP HA H 115 4.610 4.412 0.198 1
1 785 . 3 1 1 A 115 115 ASP CA C 115 54.620 55.578 -0.958 1
1 786 . 3 1 1 A 115 115 ASP CB C 115 40.720 39.050 1.670 1
1 787 . 3 1 1 A 115 115 ASP N N 115 119.520 115.947 3.573 1
1 788 . 3 1 1 A 116 116 ALA H H 116 8.060 8.171 -0.111 1
1 789 . 3 1 1 A 116 116 ALA HA H 116 4.320 4.426 -0.106 1
1 793 . 3 1 1 A 116 116 ALA CA C 116 53.080 54.800 -1.720 1
1 794 . 3 1 1 A 116 116 ALA CB C 116 19.000 17.949 1.051 1
1 795 . 3 1 1 A 116 116 ALA N N 116 123.460 113.278 10.182 1
1 796 . 3 1 1 A 117 117 ALA H H 117 8.110 7.957 0.153 1
1 797 . 3 1 1 A 117 117 ALA HA H 117 4.640 4.627 0.013 1
1 801 . 3 1 1 A 117 117 ALA CA C 117 52.600 51.949 0.651 1
1 802 . 3 1 1 A 117 117 ALA CB C 117 19.360 22.479 -3.119 1
1 803 . 3 1 1 A 117 117 ALA N N 117 121.130 116.340 4.790 1
1 804 . 3 1 1 A 118 118 THR H H 118 8.060 8.652 -0.592 1
1 805 . 3 1 1 A 118 118 THR HA H 118 4.430 5.044 -0.614 1
1 810 . 3 1 1 A 118 118 THR CA C 118 62.130 59.714 2.416 1
1 811 . 3 1 1 A 118 118 THR CB C 118 69.840 71.929 -2.089 1
1 813 . 3 1 1 A 118 118 THR N N 118 112.100 112.621 -0.521 1
1 814 . 3 1 1 A 119 119 GLY H H 119 8.430 8.749 -0.319 1
1 815 . 3 1 1 A 119 119 GLY N N 119 111.230 109.869 1.361 1
1 816 . 3 1 1 A 120 120 LYS H H 120 8.200 7.736 0.464 1
1 817 . 3 1 1 A 120 120 LYS HA H 120 4.510 4.584 -0.074 1
1 821 . 3 1 1 A 120 120 LYS CA C 120 56.110 54.623 1.487 1
1 822 . 3 1 1 A 120 120 LYS CB C 120 33.270 35.016 -1.746 1
1 823 . 3 1 1 A 120 120 LYS N N 120 121.180 121.179 0.001 1
1 17 . 4 1 1 A 37 37 ARG H H 37 8.370 8.550 -0.180 1
1 18 . 4 1 1 A 37 37 ARG N N 37 121.030 121.563 -0.533 1
1 19 . 4 1 1 A 38 38 LYS H H 38 8.150 8.503 -0.353 1
1 20 . 4 1 1 A 38 38 LYS HA H 38 4.750 4.576 0.174 1
1 25 . 4 1 1 A 38 38 LYS CA C 38 54.190 56.106 -1.916 1
1 26 . 4 1 1 A 38 38 LYS CB C 38 35.040 33.453 1.587 1
1 27 . 4 1 1 A 38 38 LYS N N 38 119.860 121.707 -1.847 1
1 28 . 4 1 1 A 39 39 GLY H H 39 8.710 8.460 0.250 1
1 29 . 4 1 1 A 39 39 GLY HA3 H 39 4.050 4.209 -0.159 1
1 30 . 4 1 1 A 39 39 GLY CA C 39 45.460 45.592 -0.132 1
1 31 . 4 1 1 A 39 39 GLY N N 39 107.990 108.535 -0.545 1
1 32 . 4 1 1 A 40 40 ASN H H 40 8.300 9.996 -1.696 1
1 33 . 4 1 1 A 40 40 ASN HA H 40 4.850 5.203 -0.353 1
1 38 . 4 1 1 A 40 40 ASN CA C 40 54.110 52.031 2.079 1
1 39 . 4 1 1 A 40 40 ASN CB C 40 37.840 39.624 -1.784 1
1 40 . 4 1 1 A 40 40 ASN N N 40 115.650 123.194 -7.544 1
1 42 . 4 1 1 A 41 41 THR HA H 41 5.400 4.912 0.488 1
1 47 . 4 1 1 A 41 41 THR CA C 41 63.410 63.788 -0.378 1
1 48 . 4 1 1 A 41 41 THR CB C 41 69.930 69.276 0.654 1
1 50 . 4 1 1 A 42 42 LEU H H 42 9.900 9.330 0.570 1
1 51 . 4 1 1 A 42 42 LEU HA H 42 5.090 5.286 -0.196 1
1 61 . 4 1 1 A 42 42 LEU CA C 42 53.260 53.830 -0.570 1
1 62 . 4 1 1 A 42 42 LEU CB C 42 43.590 44.643 -1.053 1
1 66 . 4 1 1 A 42 42 LEU N N 42 127.870 126.931 0.939 1
1 67 . 4 1 1 A 43 43 TYR H H 43 9.190 8.744 0.446 1
1 68 . 4 1 1 A 43 43 TYR HA H 43 4.420 4.948 -0.528 1
1 71 . 4 1 1 A 43 43 TYR CB C 43 40.310 40.764 -0.454 1
1 72 . 4 1 1 A 43 43 TYR N N 43 124.140 125.120 -0.980 1
1 73 . 4 1 1 A 44 44 VAL H H 44 7.980 8.275 -0.295 1
1 74 . 4 1 1 A 44 44 VAL HA H 44 4.810 5.194 -0.384 1
1 82 . 4 1 1 A 44 44 VAL CA C 44 59.320 60.922 -1.602 1
1 83 . 4 1 1 A 44 44 VAL CB C 44 34.360 34.856 -0.496 1
1 86 . 4 1 1 A 44 44 VAL N N 44 127.360 127.459 -0.099 1
1 87 . 4 1 1 A 45 45 TYR H H 45 9.020 9.024 -0.004 1
1 88 . 4 1 1 A 45 45 TYR HA H 45 4.980 5.218 -0.238 1
1 94 . 4 1 1 A 45 45 TYR CA C 45 55.680 55.673 0.007 1
1 95 . 4 1 1 A 45 45 TYR CB C 45 42.210 41.958 0.252 1
1 96 . 4 1 1 A 45 45 TYR N N 45 126.390 128.307 -1.917 1
1 97 . 4 1 1 A 46 46 GLY H H 46 7.510 7.336 0.174 1
1 98 . 4 1 1 A 46 46 GLY HA2 H 46 3.830 3.994 -0.164 1
1 99 . 4 1 1 A 46 46 GLY HA3 H 46 3.830 4.006 -0.176 1
1 100 . 4 1 1 A 46 46 GLY CA C 46 45.360 45.772 -0.412 1
1 101 . 4 1 1 A 46 46 GLY N N 46 114.220 111.033 3.187 1
1 102 . 4 1 1 A 47 47 GLU H H 47 8.750 8.588 0.162 1
1 103 . 4 1 1 A 47 47 GLU HA H 47 3.990 4.657 -0.667 1
1 108 . 4 1 1 A 47 47 GLU CA C 47 56.720 54.569 2.151 1
1 109 . 4 1 1 A 47 47 GLU CB C 47 30.460 32.807 -2.347 1
1 111 . 4 1 1 A 47 47 GLU N N 47 123.880 119.665 4.215 1
1 112 . 4 1 1 A 48 48 ASP H H 48 8.540 8.628 -0.088 1
1 113 . 4 1 1 A 48 48 ASP HA H 48 4.250 4.061 0.189 1
1 116 . 4 1 1 A 48 48 ASP CA C 48 55.210 55.141 0.069 1
1 117 . 4 1 1 A 48 48 ASP CB C 48 39.150 39.474 -0.324 1
1 118 . 4 1 1 A 48 48 ASP N N 48 117.200 118.143 -0.943 1
1 119 . 4 1 1 A 49 49 MET H H 49 8.190 7.718 0.472 1
1 120 . 4 1 1 A 49 49 MET HA H 49 4.120 4.986 -0.866 1
1 126 . 4 1 1 A 49 49 MET CA C 49 57.510 54.018 3.492 1
1 127 . 4 1 1 A 49 49 MET CB C 49 34.620 34.239 0.381 1
1 129 . 4 1 1 A 49 49 MET N N 49 114.560 117.903 -3.343 1
1 130 . 4 1 1 A 50 50 THR H H 50 6.510 8.556 -2.046 1
1 131 . 4 1 1 A 50 50 THR HA H 50 5.020 4.918 0.102 1
1 136 . 4 1 1 A 50 50 THR CA C 50 57.960 58.514 -0.554 1
1 137 . 4 1 1 A 50 50 THR CB C 50 70.150 69.808 0.342 1
1 139 . 4 1 1 A 50 50 THR N N 50 108.060 114.510 -6.450 1
1 140 . 4 1 1 A 51 51 PRO HA H 51 4.340 4.260 0.080 1
1 146 . 4 1 1 A 51 51 PRO CA C 51 65.790 65.690 0.100 1
1 147 . 4 1 1 A 51 51 PRO CB C 51 31.780 31.750 0.030 1
1 150 . 4 1 1 A 52 52 THR H H 52 7.640 7.842 -0.202 1
1 151 . 4 1 1 A 52 52 THR HA H 52 3.980 3.957 0.023 1
1 156 . 4 1 1 A 52 52 THR CA C 52 66.160 65.824 0.336 1
1 157 . 4 1 1 A 52 52 THR CB C 52 68.430 68.714 -0.284 1
1 159 . 4 1 1 A 52 52 THR N N 52 111.520 111.558 -0.038 1
1 160 . 4 1 1 A 53 53 LEU H H 53 7.810 8.019 -0.209 1
1 161 . 4 1 1 A 53 53 LEU HA H 53 4.130 4.059 0.071 1
1 171 . 4 1 1 A 53 53 LEU CA C 53 58.360 58.330 0.030 1
1 172 . 4 1 1 A 53 53 LEU CB C 53 42.970 41.558 1.412 1
1 176 . 4 1 1 A 53 53 LEU N N 53 125.410 121.198 4.212 1
1 177 . 4 1 1 A 54 54 LEU H H 54 7.840 8.107 -0.267 1
1 178 . 4 1 1 A 54 54 LEU HA H 54 4.260 3.952 0.308 1
1 188 . 4 1 1 A 54 54 LEU CA C 54 57.580 58.305 -0.725 1
1 189 . 4 1 1 A 54 54 LEU CB C 54 42.330 41.613 0.717 1
1 193 . 4 1 1 A 54 54 LEU N N 54 117.150 118.863 -1.713 1
1 194 . 4 1 1 A 55 55 ARG H H 55 9.020 8.680 0.340 1
1 195 . 4 1 1 A 55 55 ARG HA H 55 3.880 4.141 -0.261 1
1 202 . 4 1 1 A 55 55 ARG CA C 55 60.890 59.214 1.676 1
1 203 . 4 1 1 A 55 55 ARG CB C 55 29.580 29.875 -0.295 1
1 206 . 4 1 1 A 55 55 ARG N N 55 120.050 117.559 2.491 1
1 207 . 4 1 1 A 56 56 GLY H H 56 8.180 8.264 -0.084 1
1 208 . 4 1 1 A 56 56 GLY HA2 H 56 3.940 3.932 0.008 1
1 209 . 4 1 1 A 56 56 GLY HA3 H 56 4.100 3.951 0.149 1
1 210 . 4 1 1 A 56 56 GLY CA C 56 47.210 47.079 0.131 1
1 211 . 4 1 1 A 56 56 GLY N N 56 106.700 108.134 -1.434 1
1 212 . 4 1 1 A 57 57 ALA H H 57 7.830 7.904 -0.074 1
1 213 . 4 1 1 A 57 57 ALA HA H 57 4.360 4.038 0.322 1
1 217 . 4 1 1 A 57 57 ALA CA C 57 53.590 54.316 -0.726 1
1 218 . 4 1 1 A 57 57 ALA CB C 57 19.050 18.156 0.894 1
1 219 . 4 1 1 A 57 57 ALA N N 57 120.270 124.812 -4.542 1
1 220 . 4 1 1 A 58 58 PHE H H 58 8.600 8.098 0.502 1
1 221 . 4 1 1 A 58 58 PHE HA H 58 4.790 5.418 -0.628 1
1 227 . 4 1 1 A 58 58 PHE CA C 58 60.210 57.640 2.570 1
1 228 . 4 1 1 A 58 58 PHE CB C 58 38.390 39.506 -1.116 1
1 229 . 4 1 1 A 58 58 PHE N N 58 110.250 116.299 -6.049 1
1 230 . 4 1 1 A 59 59 SER H H 59 8.610 8.044 0.566 1
1 231 . 4 1 1 A 59 59 SER HA H 59 4.810 4.386 0.424 1
1 234 . 4 1 1 A 59 59 SER CA C 59 63.540 62.995 0.545 1
1 235 . 4 1 1 A 59 59 SER CB C 59 62.910 62.671 0.239 1
1 236 . 4 1 1 A 59 59 SER N N 59 122.860 116.828 6.032 1
1 237 . 4 1 1 A 60 60 PRO HA H 60 4.280 4.344 -0.064 1
1 244 . 4 1 1 A 60 60 PRO CA C 60 65.680 65.556 0.124 1
1 245 . 4 1 1 A 60 60 PRO CB C 60 31.420 30.852 0.568 1
1 248 . 4 1 1 A 61 61 PHE H H 61 6.850 8.700 -1.850 1
1 249 . 4 1 1 A 61 61 PHE HA H 61 4.510 4.264 0.246 1
1 257 . 4 1 1 A 61 61 PHE CA C 61 58.310 61.067 -2.757 1
1 258 . 4 1 1 A 61 61 PHE CB C 61 38.920 39.040 -0.120 1
1 259 . 4 1 1 A 61 61 PHE N N 61 109.700 116.415 -6.715 1
1 260 . 4 1 1 A 62 62 GLY H H 62 7.800 7.157 0.643 1
1 261 . 4 1 1 A 62 62 GLY HA2 H 62 4.090 3.970 0.120 1
1 262 . 4 1 1 A 62 62 GLY HA3 H 62 4.290 4.106 0.184 1
1 263 . 4 1 1 A 62 62 GLY CA C 62 45.290 45.987 -0.697 1
1 264 . 4 1 1 A 62 62 GLY N N 62 106.520 103.966 2.554 1
1 265 . 4 1 1 A 63 63 ASN H H 63 8.520 8.585 -0.065 1
1 266 . 4 1 1 A 63 63 ASN HA H 63 4.920 5.289 -0.369 1
1 271 . 4 1 1 A 63 63 ASN CA C 63 52.930 52.859 0.071 1
1 272 . 4 1 1 A 63 63 ASN CB C 63 38.630 39.940 -1.310 1
1 273 . 4 1 1 A 63 63 ASN N N 63 117.020 118.873 -1.853 1
1 275 . 4 1 1 A 64 64 ILE H H 64 8.750 9.119 -0.369 1
1 276 . 4 1 1 A 64 64 ILE HA H 64 4.100 4.773 -0.673 1
1 286 . 4 1 1 A 64 64 ILE CA C 64 61.940 60.723 1.217 1
1 287 . 4 1 1 A 64 64 ILE CB C 64 38.780 38.358 0.422 1
1 291 . 4 1 1 A 64 64 ILE N N 64 127.930 123.442 4.488 1
1 292 . 4 1 1 A 65 65 ILE H H 65 8.910 8.659 0.251 1
1 293 . 4 1 1 A 65 65 ILE HA H 65 4.490 4.392 0.098 1
1 303 . 4 1 1 A 65 65 ILE CA C 65 61.310 61.460 -0.150 1
1 304 . 4 1 1 A 65 65 ILE CB C 65 38.470 38.930 -0.460 1
1 308 . 4 1 1 A 65 65 ILE N N 65 124.530 122.228 2.302 1
1 309 . 4 1 1 A 66 66 ASP H H 66 7.520 7.820 -0.300 1
1 310 . 4 1 1 A 66 66 ASP HA H 66 4.700 5.119 -0.419 1
1 313 . 4 1 1 A 66 66 ASP CA C 66 55.520 53.461 2.059 1
1 314 . 4 1 1 A 66 66 ASP CB C 66 45.290 44.508 0.782 1
1 315 . 4 1 1 A 66 66 ASP N N 66 119.140 120.914 -1.774 1
1 316 . 4 1 1 A 67 67 LEU H H 67 8.230 9.008 -0.778 1
1 317 . 4 1 1 A 67 67 LEU HA H 67 4.980 5.067 -0.087 1
1 326 . 4 1 1 A 67 67 LEU CA C 67 54.980 53.606 1.374 1
1 327 . 4 1 1 A 67 67 LEU CB C 67 44.440 44.862 -0.422 1
1 330 . 4 1 1 A 67 67 LEU N N 67 127.890 126.920 0.970 1
1 331 . 4 1 1 A 68 68 SER H H 68 8.810 9.047 -0.237 1
1 332 . 4 1 1 A 68 68 SER HA H 68 4.970 5.310 -0.340 1
1 335 . 4 1 1 A 68 68 SER CA C 68 57.170 56.779 0.391 1
1 336 . 4 1 1 A 68 68 SER CB C 68 65.320 65.658 -0.338 1
1 337 . 4 1 1 A 68 68 SER N N 68 122.560 121.130 1.430 1
1 338 . 4 1 1 A 69 69 MET H H 69 9.050 8.964 0.086 1
1 339 . 4 1 1 A 69 69 MET HA H 69 4.740 5.185 -0.445 1
1 345 . 4 1 1 A 69 69 MET CA C 69 54.520 54.172 0.348 1
1 348 . 4 1 1 A 69 69 MET N N 69 122.420 123.400 -0.980 1
1 349 . 4 1 1 A 70 70 ASP H H 70 8.620 9.153 -0.533 1
1 350 . 4 1 1 A 70 70 ASP HA H 70 5.140 5.243 -0.103 1
1 353 . 4 1 1 A 70 70 ASP CA C 70 51.410 50.766 0.644 1
1 354 . 4 1 1 A 70 70 ASP CB C 70 40.930 42.183 -1.253 1
1 355 . 4 1 1 A 70 70 ASP N N 70 120.620 122.390 -1.770 1
1 356 . 4 1 1 A 71 71 PRO HA H 71 4.760 4.410 0.350 1
1 359 . 4 1 1 A 71 71 PRO CA C 71 66.380 64.397 1.983 1
1 361 . 4 1 1 A 72 72 PRO HA H 72 4.520 4.368 0.152 1
1 368 . 4 1 1 A 72 72 PRO CA C 72 65.750 65.137 0.613 1
1 369 . 4 1 1 A 72 72 PRO CB C 72 31.570 31.298 0.272 1
1 371 . 4 1 1 A 73 73 ARG H H 73 7.360 7.623 -0.263 1
1 372 . 4 1 1 A 73 73 ARG HA H 73 4.570 4.519 0.051 1
1 378 . 4 1 1 A 73 73 ARG CA C 73 55.160 55.473 -0.313 1
1 379 . 4 1 1 A 73 73 ARG CB C 73 29.000 30.397 -1.397 1
1 382 . 4 1 1 A 73 73 ARG N N 73 114.560 115.995 -1.435 1
1 383 . 4 1 1 A 74 74 ASN H H 74 8.440 7.982 0.458 1
1 384 . 4 1 1 A 74 74 ASN HA H 74 4.270 4.134 0.136 1
1 389 . 4 1 1 A 74 74 ASN CA C 74 53.830 54.580 -0.750 1
1 390 . 4 1 1 A 74 74 ASN CB C 74 37.500 36.491 1.009 1
1 391 . 4 1 1 A 74 74 ASN N N 74 115.460 115.120 0.340 1
1 393 . 4 1 1 A 75 75 CYS H H 75 7.270 7.450 -0.180 1
1 394 . 4 1 1 A 75 75 CYS HA H 75 5.730 5.274 0.456 1
1 396 . 4 1 1 A 75 75 CYS CA C 75 55.420 56.931 -1.511 1
1 397 . 4 1 1 A 75 75 CYS CB C 75 32.640 30.549 2.091 1
1 398 . 4 1 1 A 75 75 CYS N N 75 127.180 113.615 13.565 1
1 399 . 4 1 1 A 76 76 ALA H H 76 8.590 8.520 0.070 1
1 403 . 4 1 1 A 76 76 ALA CB C 76 24.400 22.377 2.023 1
1 404 . 4 1 1 A 76 76 ALA N N 76 122.120 124.612 -2.492 1
1 405 . 4 1 1 A 77 77 PHE H H 77 8.780 9.767 -0.987 1
1 406 . 4 1 1 A 77 77 PHE HA H 77 5.620 5.705 -0.085 1
1 407 . 4 1 1 A 77 77 PHE CA C 77 55.850 56.447 -0.597 1
1 408 . 4 1 1 A 77 77 PHE N N 77 115.390 118.675 -3.285 1
1 409 . 4 1 1 A 78 78 VAL H H 78 8.580 8.831 -0.251 1
1 410 . 4 1 1 A 78 78 VAL HA H 78 4.300 4.587 -0.287 1
1 418 . 4 1 1 A 78 78 VAL CA C 78 60.960 60.539 0.421 1
1 419 . 4 1 1 A 78 78 VAL CB C 78 34.360 34.116 0.244 1
1 422 . 4 1 1 A 78 78 VAL N N 78 126.440 122.364 4.076 1
1 423 . 4 1 1 A 79 79 THR H H 79 8.960 8.564 0.396 1
1 424 . 4 1 1 A 79 79 THR HA H 79 5.330 5.288 0.042 1
1 429 . 4 1 1 A 79 79 THR CA C 79 61.940 62.177 -0.237 1
1 430 . 4 1 1 A 79 79 THR CB C 79 69.910 70.192 -0.282 1
1 432 . 4 1 1 A 79 79 THR N N 79 123.990 123.178 0.812 1
1 433 . 4 1 1 A 80 80 TYR H H 80 8.880 9.130 -0.250 1
1 434 . 4 1 1 A 80 80 TYR HA H 80 5.400 5.014 0.386 1
1 437 . 4 1 1 A 80 80 TYR CA C 80 57.660 56.427 1.233 1
1 438 . 4 1 1 A 80 80 TYR CB C 80 42.220 41.389 0.831 1
1 439 . 4 1 1 A 80 80 TYR N N 80 126.670 125.246 1.424 1
1 440 . 4 1 1 A 81 81 GLU H H 81 8.490 8.786 -0.296 1
1 441 . 4 1 1 A 81 81 GLU HA H 81 4.110 4.219 -0.109 1
1 446 . 4 1 1 A 81 81 GLU CA C 81 59.290 59.079 0.211 1
1 447 . 4 1 1 A 81 81 GLU CB C 81 31.210 30.142 1.068 1
1 449 . 4 1 1 A 81 81 GLU N N 81 119.690 123.847 -4.157 1
1 450 . 4 1 1 A 82 82 LYS H H 82 8.460 7.838 0.622 1
1 451 . 4 1 1 A 82 82 LYS HA H 82 5.020 4.750 0.270 1
1 457 . 4 1 1 A 82 82 LYS CA C 82 54.140 54.876 -0.736 1
1 458 . 4 1 1 A 82 82 LYS CB C 82 34.420 35.904 -1.484 1
1 462 . 4 1 1 A 82 82 LYS N N 82 113.920 116.982 -3.062 1
1 463 . 4 1 1 A 83 83 MET H H 83 9.100 8.997 0.103 1
1 464 . 4 1 1 A 83 83 MET HA H 83 4.070 4.269 -0.199 1
1 468 . 4 1 1 A 83 83 MET CA C 83 59.570 57.885 1.685 1
1 469 . 4 1 1 A 83 83 MET CB C 83 32.420 31.691 0.729 1
1 471 . 4 1 1 A 83 83 MET N N 83 122.530 121.389 1.141 1
1 472 . 4 1 1 A 84 84 GLU H H 84 9.690 7.838 1.852 1
1 473 . 4 1 1 A 84 84 GLU HA H 84 4.240 4.144 0.096 1
1 477 . 4 1 1 A 84 84 GLU CA C 84 60.040 59.194 0.846 1
1 478 . 4 1 1 A 84 84 GLU CB C 84 28.640 28.956 -0.316 1
1 480 . 4 1 1 A 84 84 GLU N N 84 117.940 119.799 -1.859 1
1 481 . 4 1 1 A 85 85 SER H H 85 7.110 8.047 -0.937 1
1 482 . 4 1 1 A 85 85 SER HA H 85 4.130 3.963 0.167 1
1 485 . 4 1 1 A 85 85 SER CA C 85 61.840 61.225 0.615 1
1 486 . 4 1 1 A 85 85 SER CB C 85 62.400 62.336 0.064 1
1 487 . 4 1 1 A 85 85 SER N N 85 115.500 116.504 -1.004 1
1 488 . 4 1 1 A 86 86 ALA H H 86 6.860 7.760 -0.900 1
1 489 . 4 1 1 A 86 86 ALA HA H 86 4.080 4.502 -0.422 1
1 493 . 4 1 1 A 86 86 ALA CA C 86 55.210 54.833 0.377 1
1 494 . 4 1 1 A 86 86 ALA CB C 86 18.070 18.517 -0.447 1
1 495 . 4 1 1 A 86 86 ALA N N 86 122.760 123.094 -0.334 1
1 496 . 4 1 1 A 87 87 ASP H H 87 7.680 8.063 -0.383 1
1 497 . 4 1 1 A 87 87 ASP HA H 87 4.390 4.396 -0.006 1
1 500 . 4 1 1 A 87 87 ASP CA C 87 57.470 57.419 0.051 1
1 501 . 4 1 1 A 87 87 ASP CB C 87 40.850 41.076 -0.226 1
1 502 . 4 1 1 A 87 87 ASP N N 87 115.980 118.663 -2.683 1
1 503 . 4 1 1 A 88 88 GLN H H 88 7.670 7.944 -0.274 1
1 504 . 4 1 1 A 88 88 GLN HA H 88 4.040 4.134 -0.094 1
1 511 . 4 1 1 A 88 88 GLN CA C 88 58.500 58.851 -0.351 1
1 512 . 4 1 1 A 88 88 GLN CB C 88 28.270 28.772 -0.502 1
1 514 . 4 1 1 A 88 88 GLN N N 88 119.920 119.456 0.464 1
1 516 . 4 1 1 A 89 89 ALA H H 89 7.950 7.728 0.222 1
1 517 . 4 1 1 A 89 89 ALA HA H 89 2.800 2.504 0.296 1
1 521 . 4 1 1 A 89 89 ALA CA C 89 54.930 54.341 0.589 1
1 522 . 4 1 1 A 89 89 ALA CB C 89 19.340 17.990 1.350 1
1 523 . 4 1 1 A 89 89 ALA N N 89 121.330 121.846 -0.516 1
1 524 . 4 1 1 A 90 90 VAL H H 90 8.030 8.787 -0.757 1
1 525 . 4 1 1 A 90 90 VAL HA H 90 3.370 3.487 -0.117 1
1 533 . 4 1 1 A 90 90 VAL CA C 90 67.090 66.545 0.545 1
1 534 . 4 1 1 A 90 90 VAL CB C 90 32.180 31.651 0.529 1
1 537 . 4 1 1 A 90 90 VAL N N 90 116.630 118.719 -2.089 1
1 538 . 4 1 1 A 91 91 ALA H H 91 7.350 7.946 -0.596 1
1 539 . 4 1 1 A 91 91 ALA HA H 91 4.130 4.106 0.024 1
1 543 . 4 1 1 A 91 91 ALA CA C 91 54.810 55.237 -0.427 1
1 544 . 4 1 1 A 91 91 ALA CB C 91 18.330 18.147 0.183 1
1 545 . 4 1 1 A 91 91 ALA N N 91 119.620 121.661 -2.041 1
1 546 . 4 1 1 A 92 92 GLU H H 92 7.960 7.705 0.255 1
1 547 . 4 1 1 A 92 92 GLU HA H 92 4.360 4.147 0.213 1
1 552 . 4 1 1 A 92 92 GLU CA C 92 57.930 58.747 -0.817 1
1 553 . 4 1 1 A 92 92 GLU CB C 92 30.980 29.809 1.171 1
1 555 . 4 1 1 A 92 92 GLU N N 92 113.770 118.734 -4.964 1
1 556 . 4 1 1 A 93 93 LEU H H 93 8.310 8.268 0.042 1
1 557 . 4 1 1 A 93 93 LEU HA H 93 4.620 3.943 0.677 1
1 567 . 4 1 1 A 93 93 LEU CA C 93 55.810 57.476 -1.666 1
1 568 . 4 1 1 A 93 93 LEU CB C 93 44.130 41.447 2.683 1
1 572 . 4 1 1 A 93 93 LEU N N 93 114.550 119.524 -4.974 1
1 573 . 4 1 1 A 94 94 ASN H H 94 7.910 7.778 0.132 1
1 574 . 4 1 1 A 94 94 ASN HA H 94 4.430 4.357 0.073 1
1 577 . 4 1 1 A 94 94 ASN CA C 94 56.690 54.842 1.848 1
1 578 . 4 1 1 A 94 94 ASN N N 94 116.840 117.609 -0.769 1
1 580 . 4 1 1 A 95 95 GLY H H 95 8.890 8.734 0.156 1
1 581 . 4 1 1 A 95 95 GLY HA2 H 95 3.960 3.939 0.021 1
1 582 . 4 1 1 A 95 95 GLY HA3 H 95 4.290 3.941 0.349 1
1 583 . 4 1 1 A 95 95 GLY CA C 95 46.090 45.867 0.223 1
1 584 . 4 1 1 A 95 95 GLY N N 95 116.350 113.647 2.703 1
1 585 . 4 1 1 A 96 96 THR H H 96 7.860 7.613 0.247 1
1 586 . 4 1 1 A 96 96 THR HA H 96 4.660 4.974 -0.314 1
1 591 . 4 1 1 A 96 96 THR CA C 96 60.880 59.254 1.626 1
1 592 . 4 1 1 A 96 96 THR CB C 96 71.090 72.376 -1.286 1
1 594 . 4 1 1 A 96 96 THR N N 96 113.920 110.543 3.377 1
1 595 . 4 1 1 A 97 97 GLN H H 97 8.360 8.813 -0.453 1
1 596 . 4 1 1 A 97 97 GLN HA H 97 5.210 5.099 0.111 1
1 602 . 4 1 1 A 97 97 GLN CA C 97 54.170 54.058 0.112 1
1 603 . 4 1 1 A 97 97 GLN CB C 97 30.470 32.338 -1.868 1
1 605 . 4 1 1 A 97 97 GLN N N 97 119.550 121.639 -2.089 1
1 607 . 4 1 1 A 98 98 VAL H H 98 8.900 9.753 -0.853 1
1 608 . 4 1 1 A 98 98 VAL HA H 98 4.200 4.405 -0.205 1
1 616 . 4 1 1 A 98 98 VAL CA C 98 61.350 61.161 0.189 1
1 617 . 4 1 1 A 98 98 VAL CB C 98 33.600 32.438 1.162 1
1 620 . 4 1 1 A 98 98 VAL N N 98 127.260 126.128 1.132 1
1 621 . 4 1 1 A 99 99 GLU H H 99 9.160 8.596 0.564 1
1 622 . 4 1 1 A 99 99 GLU HA H 99 3.820 4.067 -0.247 1
1 625 . 4 1 1 A 99 99 GLU CA C 99 57.950 59.248 -1.298 1
1 626 . 4 1 1 A 99 99 GLU CB C 99 27.110 29.974 -2.864 1
1 628 . 4 1 1 A 99 99 GLU N N 99 124.200 123.510 0.690 1
1 629 . 4 1 1 A 100 100 SER H H 100 8.330 7.981 0.349 1
1 630 . 4 1 1 A 100 100 SER HA H 100 4.280 4.661 -0.381 1
1 633 . 4 1 1 A 100 100 SER CA C 100 59.780 57.690 2.090 1
1 634 . 4 1 1 A 100 100 SER CB C 100 63.300 64.584 -1.284 1
1 635 . 4 1 1 A 100 100 SER N N 100 111.660 110.983 0.677 1
1 636 . 4 1 1 A 101 101 VAL H H 101 8.410 7.569 0.841 1
1 637 . 4 1 1 A 101 101 VAL HA H 101 4.210 4.860 -0.650 1
1 645 . 4 1 1 A 101 101 VAL CA C 101 62.080 60.057 2.023 1
1 646 . 4 1 1 A 101 101 VAL CB C 101 33.200 36.574 -3.374 1
1 649 . 4 1 1 A 101 101 VAL N N 101 124.550 120.115 4.435 1
1 650 . 4 1 1 A 102 102 GLN H H 102 8.510 8.707 -0.197 1
1 651 . 4 1 1 A 102 102 GLN HA H 102 4.590 5.073 -0.483 1
1 658 . 4 1 1 A 102 102 GLN CA C 102 55.090 54.471 0.619 1
1 659 . 4 1 1 A 102 102 GLN CB C 102 28.620 31.130 -2.510 1
1 661 . 4 1 1 A 102 102 GLN N N 102 127.320 124.900 2.420 1
1 663 . 4 1 1 A 103 103 LEU H H 103 8.710 8.851 -0.141 1
1 664 . 4 1 1 A 103 103 LEU HA H 103 5.050 5.121 -0.071 1
1 674 . 4 1 1 A 103 103 LEU CA C 103 54.740 53.279 1.461 1
1 675 . 4 1 1 A 103 103 LEU CB C 103 44.820 44.855 -0.035 1
1 679 . 4 1 1 A 103 103 LEU N N 103 126.610 124.239 2.371 1
1 680 . 4 1 1 A 104 104 LYS H H 104 8.690 8.907 -0.217 1
1 681 . 4 1 1 A 104 104 LYS HA H 104 5.030 5.045 -0.015 1
1 688 . 4 1 1 A 104 104 LYS CA C 104 55.480 54.803 0.677 1
1 689 . 4 1 1 A 104 104 LYS CB C 104 34.520 35.343 -0.823 1
1 693 . 4 1 1 A 104 104 LYS N N 104 124.080 122.490 1.590 1
1 694 . 4 1 1 A 105 105 VAL H H 105 9.050 8.861 0.189 1
1 695 . 4 1 1 A 105 105 VAL HA H 105 5.190 5.461 -0.271 1
1 703 . 4 1 1 A 105 105 VAL CA C 105 60.840 60.807 0.033 1
1 704 . 4 1 1 A 105 105 VAL CB C 105 35.660 34.616 1.044 1
1 707 . 4 1 1 A 105 105 VAL N N 105 123.920 123.034 0.886 1
1 708 . 4 1 1 A 106 106 ASN H H 106 9.300 9.375 -0.075 1
1 709 . 4 1 1 A 106 106 ASN HA H 106 5.220 5.443 -0.223 1
1 714 . 4 1 1 A 106 106 ASN CA C 106 51.630 51.577 0.053 1
1 715 . 4 1 1 A 106 106 ASN CB C 106 43.840 43.260 0.580 1
1 716 . 4 1 1 A 106 106 ASN N N 106 122.780 124.072 -1.292 1
1 718 . 4 1 1 A 107 107 ILE H H 107 9.050 8.700 0.350 1
1 719 . 4 1 1 A 107 107 ILE HA H 107 4.160 4.950 -0.790 1
1 729 . 4 1 1 A 107 107 ILE CA C 107 61.670 60.083 1.587 1
1 730 . 4 1 1 A 107 107 ILE CB C 107 36.140 39.896 -3.756 1
1 733 . 4 1 1 A 107 107 ILE N N 107 122.980 120.516 2.464 1
1 734 . 4 1 1 A 108 108 ALA H H 108 8.740 8.841 -0.101 1
1 735 . 4 1 1 A 108 108 ALA HA H 108 4.780 4.975 -0.195 1
1 739 . 4 1 1 A 108 108 ALA CA C 108 52.620 50.373 2.247 1
1 740 . 4 1 1 A 108 108 ALA CB C 108 19.570 22.415 -2.845 1
1 741 . 4 1 1 A 108 108 ALA N N 108 131.610 130.022 1.588 1
1 742 . 4 1 1 A 109 109 ARG HA H 109 4.390 4.561 -0.171 1
1 746 . 4 1 1 A 109 109 ARG CA C 109 56.120 55.751 0.369 1
1 747 . 4 1 1 A 109 109 ARG CB C 109 31.010 30.409 0.601 1
1 749 . 4 1 1 A 111 111 GLN HA H 111 4.630 4.022 0.608 1
1 754 . 4 1 1 A 111 111 GLN CA C 111 55.160 56.624 -1.464 1
1 755 . 4 1 1 A 111 111 GLN CB C 111 32.900 27.796 5.104 1
1 757 . 4 1 1 A 112 112 PRO HA H 112 4.370 4.795 -0.425 1
1 761 . 4 1 1 A 112 112 PRO CA C 112 64.090 64.644 -0.554 1
1 762 . 4 1 1 A 112 112 PRO CB C 112 32.650 31.889 0.761 1
1 767 . 4 1 1 A 114 114 LEU H H 114 7.710 7.880 -0.170 1
1 768 . 4 1 1 A 114 114 LEU HA H 114 4.440 4.535 -0.095 1
1 777 . 4 1 1 A 114 114 LEU CB C 114 42.640 43.259 -0.619 1
1 780 . 4 1 1 A 114 114 LEU N N 114 123.050 119.062 3.988 1
1 781 . 4 1 1 A 115 115 ASP H H 115 8.440 8.274 0.166 1
1 782 . 4 1 1 A 115 115 ASP HA H 115 4.610 4.283 0.327 1
1 785 . 4 1 1 A 115 115 ASP CA C 115 54.620 55.563 -0.943 1
1 786 . 4 1 1 A 115 115 ASP CB C 115 40.720 39.121 1.599 1
1 787 . 4 1 1 A 115 115 ASP N N 115 119.520 117.240 2.280 1
1 788 . 4 1 1 A 116 116 ALA H H 116 8.060 8.344 -0.284 1
1 789 . 4 1 1 A 116 116 ALA HA H 116 4.320 4.447 -0.127 1
1 793 . 4 1 1 A 116 116 ALA CA C 116 53.080 54.967 -1.887 1
1 794 . 4 1 1 A 116 116 ALA CB C 116 19.000 17.863 1.137 1
1 795 . 4 1 1 A 116 116 ALA N N 116 123.460 113.227 10.233 1
1 796 . 4 1 1 A 117 117 ALA H H 117 8.110 7.963 0.147 1
1 797 . 4 1 1 A 117 117 ALA HA H 117 4.640 4.624 0.016 1
1 801 . 4 1 1 A 117 117 ALA CA C 117 52.600 51.845 0.755 1
1 802 . 4 1 1 A 117 117 ALA CB C 117 19.360 22.668 -3.308 1
1 803 . 4 1 1 A 117 117 ALA N N 117 121.130 115.621 5.509 1
1 804 . 4 1 1 A 118 118 THR H H 118 8.060 8.558 -0.498 1
1 805 . 4 1 1 A 118 118 THR HA H 118 4.430 4.870 -0.440 1
1 810 . 4 1 1 A 118 118 THR CA C 118 62.130 59.668 2.462 1
1 811 . 4 1 1 A 118 118 THR CB C 118 69.840 71.674 -1.834 1
1 813 . 4 1 1 A 118 118 THR N N 118 112.100 110.025 2.075 1
1 814 . 4 1 1 A 119 119 GLY H H 119 8.430 8.553 -0.123 1
1 815 . 4 1 1 A 119 119 GLY N N 119 111.230 112.730 -1.500 1
1 816 . 4 1 1 A 120 120 LYS H H 120 8.200 7.738 0.462 1
1 817 . 4 1 1 A 120 120 LYS HA H 120 4.510 4.369 0.141 1
1 821 . 4 1 1 A 120 120 LYS CA C 120 56.110 56.135 -0.025 1
1 822 . 4 1 1 A 120 120 LYS CB C 120 33.270 33.373 -0.103 1
1 823 . 4 1 1 A 120 120 LYS N N 120 121.180 120.056 1.124 1
1 17 . 5 1 1 A 37 37 ARG H H 37 8.370 8.428 -0.058 1
1 18 . 5 1 1 A 37 37 ARG N N 37 121.030 117.463 3.567 1
1 19 . 5 1 1 A 38 38 LYS H H 38 8.150 9.221 -1.071 1
1 20 . 5 1 1 A 38 38 LYS HA H 38 4.750 4.289 0.461 1
1 25 . 5 1 1 A 38 38 LYS CA C 38 54.190 58.420 -4.230 1
1 26 . 5 1 1 A 38 38 LYS CB C 38 35.040 31.175 3.865 1
1 27 . 5 1 1 A 38 38 LYS N N 38 119.860 120.137 -0.277 1
1 28 . 5 1 1 A 39 39 GLY H H 39 8.710 8.650 0.060 1
1 29 . 5 1 1 A 39 39 GLY HA3 H 39 4.050 4.227 -0.177 1
1 30 . 5 1 1 A 39 39 GLY CA C 39 45.460 45.749 -0.289 1
1 31 . 5 1 1 A 39 39 GLY N N 39 107.990 108.878 -0.888 1
1 32 . 5 1 1 A 40 40 ASN H H 40 8.300 9.007 -0.707 1
1 33 . 5 1 1 A 40 40 ASN HA H 40 4.850 4.827 0.023 1
1 38 . 5 1 1 A 40 40 ASN CA C 40 54.110 53.616 0.494 1
1 39 . 5 1 1 A 40 40 ASN CB C 40 37.840 39.091 -1.251 1
1 40 . 5 1 1 A 40 40 ASN N N 40 115.650 120.175 -4.525 1
1 42 . 5 1 1 A 41 41 THR HA H 41 5.400 5.064 0.336 1
1 47 . 5 1 1 A 41 41 THR CA C 41 63.410 62.741 0.669 1
1 48 . 5 1 1 A 41 41 THR CB C 41 69.930 70.195 -0.265 1
1 50 . 5 1 1 A 42 42 LEU H H 42 9.900 9.016 0.884 1
1 51 . 5 1 1 A 42 42 LEU HA H 42 5.090 5.344 -0.254 1
1 61 . 5 1 1 A 42 42 LEU CA C 42 53.260 53.729 -0.469 1
1 62 . 5 1 1 A 42 42 LEU CB C 42 43.590 44.412 -0.822 1
1 66 . 5 1 1 A 42 42 LEU N N 42 127.870 125.853 2.017 1
1 67 . 5 1 1 A 43 43 TYR H H 43 9.190 9.173 0.017 1
1 68 . 5 1 1 A 43 43 TYR HA H 43 4.420 4.705 -0.285 1
1 71 . 5 1 1 A 43 43 TYR CB C 43 40.310 39.944 0.366 1
1 72 . 5 1 1 A 43 43 TYR N N 43 124.140 125.283 -1.143 1
1 73 . 5 1 1 A 44 44 VAL H H 44 7.980 8.663 -0.683 1
1 74 . 5 1 1 A 44 44 VAL HA H 44 4.810 5.048 -0.238 1
1 82 . 5 1 1 A 44 44 VAL CA C 44 59.320 61.273 -1.953 1
1 83 . 5 1 1 A 44 44 VAL CB C 44 34.360 33.005 1.355 1
1 86 . 5 1 1 A 44 44 VAL N N 44 127.360 128.285 -0.925 1
1 87 . 5 1 1 A 45 45 TYR H H 45 9.020 8.580 0.440 1
1 88 . 5 1 1 A 45 45 TYR HA H 45 4.980 5.244 -0.264 1
1 94 . 5 1 1 A 45 45 TYR CA C 45 55.680 55.569 0.111 1
1 95 . 5 1 1 A 45 45 TYR CB C 45 42.210 41.276 0.934 1
1 96 . 5 1 1 A 45 45 TYR N N 45 126.390 128.370 -1.980 1
1 97 . 5 1 1 A 46 46 GLY H H 46 7.510 7.425 0.085 1
1 98 . 5 1 1 A 46 46 GLY HA2 H 46 3.830 3.959 -0.129 1
1 99 . 5 1 1 A 46 46 GLY HA3 H 46 3.830 4.015 -0.185 1
1 100 . 5 1 1 A 46 46 GLY CA C 46 45.360 45.953 -0.593 1
1 101 . 5 1 1 A 46 46 GLY N N 46 114.220 111.924 2.296 1
1 102 . 5 1 1 A 47 47 GLU H H 47 8.750 8.602 0.148 1
1 103 . 5 1 1 A 47 47 GLU HA H 47 3.990 4.659 -0.669 1
1 108 . 5 1 1 A 47 47 GLU CA C 47 56.720 54.509 2.211 1
1 109 . 5 1 1 A 47 47 GLU CB C 47 30.460 32.875 -2.415 1
1 111 . 5 1 1 A 47 47 GLU N N 47 123.880 119.809 4.071 1
1 112 . 5 1 1 A 48 48 ASP H H 48 8.540 8.949 -0.409 1
1 113 . 5 1 1 A 48 48 ASP HA H 48 4.250 4.170 0.080 1
1 116 . 5 1 1 A 48 48 ASP CA C 48 55.210 54.823 0.387 1
1 117 . 5 1 1 A 48 48 ASP CB C 48 39.150 39.402 -0.252 1
1 118 . 5 1 1 A 48 48 ASP N N 48 117.200 122.245 -5.045 1
1 119 . 5 1 1 A 49 49 MET H H 49 8.190 7.720 0.470 1
1 120 . 5 1 1 A 49 49 MET HA H 49 4.120 4.950 -0.830 1
1 126 . 5 1 1 A 49 49 MET CA C 49 57.510 54.044 3.466 1
1 127 . 5 1 1 A 49 49 MET CB C 49 34.620 34.306 0.314 1
1 129 . 5 1 1 A 49 49 MET N N 49 114.560 117.774 -3.214 1
1 130 . 5 1 1 A 50 50 THR H H 50 6.510 8.529 -2.019 1
1 131 . 5 1 1 A 50 50 THR HA H 50 5.020 4.910 0.110 1
1 136 . 5 1 1 A 50 50 THR CA C 50 57.960 58.526 -0.566 1
1 137 . 5 1 1 A 50 50 THR CB C 50 70.150 70.033 0.117 1
1 139 . 5 1 1 A 50 50 THR N N 50 108.060 114.229 -6.169 1
1 140 . 5 1 1 A 51 51 PRO HA H 51 4.340 4.285 0.055 1
1 146 . 5 1 1 A 51 51 PRO CA C 51 65.790 65.802 -0.012 1
1 147 . 5 1 1 A 51 51 PRO CB C 51 31.780 31.547 0.233 1
1 150 . 5 1 1 A 52 52 THR H H 52 7.640 7.886 -0.246 1
1 151 . 5 1 1 A 52 52 THR HA H 52 3.980 3.936 0.044 1
1 156 . 5 1 1 A 52 52 THR CA C 52 66.160 65.912 0.248 1
1 157 . 5 1 1 A 52 52 THR CB C 52 68.430 68.626 -0.196 1
1 159 . 5 1 1 A 52 52 THR N N 52 111.520 111.450 0.070 1
1 160 . 5 1 1 A 53 53 LEU H H 53 7.810 8.079 -0.269 1
1 161 . 5 1 1 A 53 53 LEU HA H 53 4.130 4.040 0.090 1
1 171 . 5 1 1 A 53 53 LEU CA C 53 58.360 58.423 -0.063 1
1 172 . 5 1 1 A 53 53 LEU CB C 53 42.970 41.570 1.400 1
1 176 . 5 1 1 A 53 53 LEU N N 53 125.410 121.369 4.041 1
1 177 . 5 1 1 A 54 54 LEU H H 54 7.840 8.147 -0.307 1
1 178 . 5 1 1 A 54 54 LEU HA H 54 4.260 4.015 0.245 1
1 188 . 5 1 1 A 54 54 LEU CA C 54 57.580 58.265 -0.685 1
1 189 . 5 1 1 A 54 54 LEU CB C 54 42.330 41.499 0.831 1
1 193 . 5 1 1 A 54 54 LEU N N 54 117.150 118.916 -1.766 1
1 194 . 5 1 1 A 55 55 ARG H H 55 9.020 8.854 0.166 1
1 195 . 5 1 1 A 55 55 ARG HA H 55 3.880 4.154 -0.274 1
1 202 . 5 1 1 A 55 55 ARG CA C 55 60.890 59.176 1.714 1
1 203 . 5 1 1 A 55 55 ARG CB C 55 29.580 29.865 -0.285 1
1 206 . 5 1 1 A 55 55 ARG N N 55 120.050 117.755 2.295 1
1 207 . 5 1 1 A 56 56 GLY H H 56 8.180 8.266 -0.086 1
1 208 . 5 1 1 A 56 56 GLY HA2 H 56 3.940 3.830 0.110 1
1 209 . 5 1 1 A 56 56 GLY HA3 H 56 4.100 3.848 0.252 1
1 210 . 5 1 1 A 56 56 GLY CA C 56 47.210 47.022 0.188 1
1 211 . 5 1 1 A 56 56 GLY N N 56 106.700 108.088 -1.388 1
1 212 . 5 1 1 A 57 57 ALA H H 57 7.830 7.939 -0.109 1
1 213 . 5 1 1 A 57 57 ALA HA H 57 4.360 4.101 0.259 1
1 217 . 5 1 1 A 57 57 ALA CA C 57 53.590 54.206 -0.616 1
1 218 . 5 1 1 A 57 57 ALA CB C 57 19.050 18.349 0.701 1
1 219 . 5 1 1 A 57 57 ALA N N 57 120.270 124.487 -4.217 1
1 220 . 5 1 1 A 58 58 PHE H H 58 8.600 8.229 0.371 1
1 221 . 5 1 1 A 58 58 PHE HA H 58 4.790 5.599 -0.809 1
1 227 . 5 1 1 A 58 58 PHE CA C 58 60.210 57.661 2.549 1
1 228 . 5 1 1 A 58 58 PHE CB C 58 38.390 39.562 -1.172 1
1 229 . 5 1 1 A 58 58 PHE N N 58 110.250 116.648 -6.398 1
1 230 . 5 1 1 A 59 59 SER H H 59 8.610 8.011 0.599 1
1 231 . 5 1 1 A 59 59 SER HA H 59 4.810 4.408 0.402 1
1 234 . 5 1 1 A 59 59 SER CA C 59 63.540 63.157 0.383 1
1 235 . 5 1 1 A 59 59 SER CB C 59 62.910 62.849 0.061 1
1 236 . 5 1 1 A 59 59 SER N N 59 122.860 116.158 6.702 1
1 237 . 5 1 1 A 60 60 PRO HA H 60 4.280 4.348 -0.068 1
1 244 . 5 1 1 A 60 60 PRO CA C 60 65.680 65.394 0.286 1
1 245 . 5 1 1 A 60 60 PRO CB C 60 31.420 30.948 0.472 1
1 248 . 5 1 1 A 61 61 PHE H H 61 6.850 8.708 -1.858 1
1 249 . 5 1 1 A 61 61 PHE HA H 61 4.510 4.268 0.242 1
1 257 . 5 1 1 A 61 61 PHE CA C 61 58.310 60.665 -2.355 1
1 258 . 5 1 1 A 61 61 PHE CB C 61 38.920 39.283 -0.363 1
1 259 . 5 1 1 A 61 61 PHE N N 61 109.700 116.801 -7.101 1
1 260 . 5 1 1 A 62 62 GLY H H 62 7.800 7.471 0.329 1
1 261 . 5 1 1 A 62 62 GLY HA2 H 62 4.090 3.969 0.121 1
1 262 . 5 1 1 A 62 62 GLY HA3 H 62 4.290 4.106 0.184 1
1 263 . 5 1 1 A 62 62 GLY CA C 62 45.290 45.737 -0.447 1
1 264 . 5 1 1 A 62 62 GLY N N 62 106.520 104.638 1.882 1
1 265 . 5 1 1 A 63 63 ASN H H 63 8.520 8.560 -0.040 1
1 266 . 5 1 1 A 63 63 ASN HA H 63 4.920 5.242 -0.322 1
1 271 . 5 1 1 A 63 63 ASN CA C 63 52.930 52.979 -0.049 1
1 272 . 5 1 1 A 63 63 ASN CB C 63 38.630 40.100 -1.470 1
1 273 . 5 1 1 A 63 63 ASN N N 63 117.020 118.631 -1.611 1
1 275 . 5 1 1 A 64 64 ILE H H 64 8.750 9.046 -0.296 1
1 276 . 5 1 1 A 64 64 ILE HA H 64 4.100 4.860 -0.760 1
1 286 . 5 1 1 A 64 64 ILE CA C 64 61.940 60.693 1.247 1
1 287 . 5 1 1 A 64 64 ILE CB C 64 38.780 39.022 -0.242 1
1 291 . 5 1 1 A 64 64 ILE N N 64 127.930 123.261 4.669 1
1 292 . 5 1 1 A 65 65 ILE H H 65 8.910 8.677 0.233 1
1 293 . 5 1 1 A 65 65 ILE HA H 65 4.490 4.375 0.115 1
1 303 . 5 1 1 A 65 65 ILE CA C 65 61.310 61.520 -0.210 1
1 304 . 5 1 1 A 65 65 ILE CB C 65 38.470 38.837 -0.367 1
1 308 . 5 1 1 A 65 65 ILE N N 65 124.530 122.375 2.155 1
1 309 . 5 1 1 A 66 66 ASP H H 66 7.520 7.832 -0.312 1
1 310 . 5 1 1 A 66 66 ASP HA H 66 4.700 5.075 -0.375 1
1 313 . 5 1 1 A 66 66 ASP CA C 66 55.520 53.760 1.760 1
1 314 . 5 1 1 A 66 66 ASP CB C 66 45.290 44.526 0.764 1
1 315 . 5 1 1 A 66 66 ASP N N 66 119.140 120.831 -1.691 1
1 316 . 5 1 1 A 67 67 LEU H H 67 8.230 9.039 -0.809 1
1 317 . 5 1 1 A 67 67 LEU HA H 67 4.980 5.090 -0.110 1
1 326 . 5 1 1 A 67 67 LEU CA C 67 54.980 53.517 1.463 1
1 327 . 5 1 1 A 67 67 LEU CB C 67 44.440 44.754 -0.314 1
1 330 . 5 1 1 A 67 67 LEU N N 67 127.890 127.025 0.865 1
1 331 . 5 1 1 A 68 68 SER H H 68 8.810 9.056 -0.246 1
1 332 . 5 1 1 A 68 68 SER HA H 68 4.970 5.433 -0.463 1
1 335 . 5 1 1 A 68 68 SER CA C 68 57.170 57.103 0.067 1
1 336 . 5 1 1 A 68 68 SER CB C 68 65.320 65.787 -0.467 1
1 337 . 5 1 1 A 68 68 SER N N 68 122.560 123.943 -1.383 1
1 338 . 5 1 1 A 69 69 MET H H 69 9.050 8.930 0.120 1
1 339 . 5 1 1 A 69 69 MET HA H 69 4.740 5.210 -0.470 1
1 345 . 5 1 1 A 69 69 MET CA C 69 54.520 54.236 0.284 1
1 348 . 5 1 1 A 69 69 MET N N 69 122.420 123.509 -1.089 1
1 349 . 5 1 1 A 70 70 ASP H H 70 8.620 8.751 -0.131 1
1 350 . 5 1 1 A 70 70 ASP HA H 70 5.140 5.269 -0.129 1
1 353 . 5 1 1 A 70 70 ASP CA C 70 51.410 50.644 0.766 1
1 354 . 5 1 1 A 70 70 ASP CB C 70 40.930 42.485 -1.555 1
1 355 . 5 1 1 A 70 70 ASP N N 70 120.620 122.129 -1.509 1
1 356 . 5 1 1 A 71 71 PRO HA H 71 4.760 4.397 0.363 1
1 359 . 5 1 1 A 71 71 PRO CA C 71 66.380 64.385 1.995 1
1 361 . 5 1 1 A 72 72 PRO HA H 72 4.520 4.344 0.176 1
1 368 . 5 1 1 A 72 72 PRO CA C 72 65.750 65.190 0.560 1
1 369 . 5 1 1 A 72 72 PRO CB C 72 31.570 31.180 0.390 1
1 371 . 5 1 1 A 73 73 ARG H H 73 7.360 7.906 -0.546 1
1 372 . 5 1 1 A 73 73 ARG HA H 73 4.570 4.562 0.008 1
1 378 . 5 1 1 A 73 73 ARG CA C 73 55.160 56.497 -1.337 1
1 379 . 5 1 1 A 73 73 ARG CB C 73 29.000 30.833 -1.833 1
1 382 . 5 1 1 A 73 73 ARG N N 73 114.560 117.692 -3.132 1
1 383 . 5 1 1 A 74 74 ASN H H 74 8.440 7.954 0.486 1
1 384 . 5 1 1 A 74 74 ASN HA H 74 4.270 4.115 0.155 1
1 389 . 5 1 1 A 74 74 ASN CA C 74 53.830 54.503 -0.673 1
1 390 . 5 1 1 A 74 74 ASN CB C 74 37.500 36.465 1.035 1
1 391 . 5 1 1 A 74 74 ASN N N 74 115.460 115.428 0.032 1
1 393 . 5 1 1 A 75 75 CYS H H 75 7.270 7.510 -0.240 1
1 394 . 5 1 1 A 75 75 CYS HA H 75 5.730 5.149 0.581 1
1 396 . 5 1 1 A 75 75 CYS CA C 75 55.420 57.244 -1.824 1
1 397 . 5 1 1 A 75 75 CYS CB C 75 32.640 30.983 1.657 1
1 398 . 5 1 1 A 75 75 CYS N N 75 127.180 113.411 13.769 1
1 399 . 5 1 1 A 76 76 ALA H H 76 8.590 8.647 -0.057 1
1 403 . 5 1 1 A 76 76 ALA CB C 76 24.400 22.317 2.083 1
1 404 . 5 1 1 A 76 76 ALA N N 76 122.120 125.090 -2.970 1
1 405 . 5 1 1 A 77 77 PHE H H 77 8.780 9.759 -0.979 1
1 406 . 5 1 1 A 77 77 PHE HA H 77 5.620 5.561 0.059 1
1 407 . 5 1 1 A 77 77 PHE CA C 77 55.850 56.639 -0.789 1
1 408 . 5 1 1 A 77 77 PHE N N 77 115.390 117.466 -2.076 1
1 409 . 5 1 1 A 78 78 VAL H H 78 8.580 8.666 -0.086 1
1 410 . 5 1 1 A 78 78 VAL HA H 78 4.300 4.572 -0.272 1
1 418 . 5 1 1 A 78 78 VAL CA C 78 60.960 60.491 0.469 1
1 419 . 5 1 1 A 78 78 VAL CB C 78 34.360 33.932 0.428 1
1 422 . 5 1 1 A 78 78 VAL N N 78 126.440 122.510 3.930 1
1 423 . 5 1 1 A 79 79 THR H H 79 8.960 8.406 0.554 1
1 424 . 5 1 1 A 79 79 THR HA H 79 5.330 5.259 0.071 1
1 429 . 5 1 1 A 79 79 THR CA C 79 61.940 62.033 -0.093 1
1 430 . 5 1 1 A 79 79 THR CB C 79 69.910 70.284 -0.374 1
1 432 . 5 1 1 A 79 79 THR N N 79 123.990 123.567 0.423 1
1 433 . 5 1 1 A 80 80 TYR H H 80 8.880 9.359 -0.479 1
1 434 . 5 1 1 A 80 80 TYR HA H 80 5.400 4.950 0.450 1
1 437 . 5 1 1 A 80 80 TYR CA C 80 57.660 56.332 1.328 1
1 438 . 5 1 1 A 80 80 TYR CB C 80 42.220 41.481 0.739 1
1 439 . 5 1 1 A 80 80 TYR N N 80 126.670 125.439 1.231 1
1 440 . 5 1 1 A 81 81 GLU H H 81 8.490 8.830 -0.340 1
1 441 . 5 1 1 A 81 81 GLU HA H 81 4.110 4.165 -0.055 1
1 446 . 5 1 1 A 81 81 GLU CA C 81 59.290 59.615 -0.325 1
1 447 . 5 1 1 A 81 81 GLU CB C 81 31.210 29.709 1.501 1
1 449 . 5 1 1 A 81 81 GLU N N 81 119.690 124.641 -4.951 1
1 450 . 5 1 1 A 82 82 LYS H H 82 8.460 7.746 0.714 1
1 451 . 5 1 1 A 82 82 LYS HA H 82 5.020 4.707 0.313 1
1 457 . 5 1 1 A 82 82 LYS CA C 82 54.140 54.748 -0.608 1
1 458 . 5 1 1 A 82 82 LYS CB C 82 34.420 36.215 -1.795 1
1 462 . 5 1 1 A 82 82 LYS N N 82 113.920 117.037 -3.117 1
1 463 . 5 1 1 A 83 83 MET H H 83 9.100 9.060 0.040 1
1 464 . 5 1 1 A 83 83 MET HA H 83 4.070 4.265 -0.195 1
1 468 . 5 1 1 A 83 83 MET CA C 83 59.570 57.995 1.575 1
1 469 . 5 1 1 A 83 83 MET CB C 83 32.420 31.687 0.733 1
1 471 . 5 1 1 A 83 83 MET N N 83 122.530 122.015 0.515 1
1 472 . 5 1 1 A 84 84 GLU H H 84 9.690 7.919 1.771 1
1 473 . 5 1 1 A 84 84 GLU HA H 84 4.240 4.090 0.150 1
1 477 . 5 1 1 A 84 84 GLU CA C 84 60.040 59.223 0.817 1
1 478 . 5 1 1 A 84 84 GLU CB C 84 28.640 29.444 -0.804 1
1 480 . 5 1 1 A 84 84 GLU N N 84 117.940 119.883 -1.943 1
1 481 . 5 1 1 A 85 85 SER H H 85 7.110 8.068 -0.958 1
1 482 . 5 1 1 A 85 85 SER HA H 85 4.130 3.985 0.145 1
1 485 . 5 1 1 A 85 85 SER CA C 85 61.840 61.355 0.485 1
1 486 . 5 1 1 A 85 85 SER CB C 85 62.400 62.447 -0.047 1
1 487 . 5 1 1 A 85 85 SER N N 85 115.500 116.220 -0.720 1
1 488 . 5 1 1 A 86 86 ALA H H 86 6.860 8.089 -1.229 1
1 489 . 5 1 1 A 86 86 ALA HA H 86 4.080 4.480 -0.400 1
1 493 . 5 1 1 A 86 86 ALA CA C 86 55.210 54.946 0.264 1
1 494 . 5 1 1 A 86 86 ALA CB C 86 18.070 18.449 -0.379 1
1 495 . 5 1 1 A 86 86 ALA N N 86 122.760 123.294 -0.534 1
1 496 . 5 1 1 A 87 87 ASP H H 87 7.680 7.971 -0.291 1
1 497 . 5 1 1 A 87 87 ASP HA H 87 4.390 4.365 0.025 1
1 500 . 5 1 1 A 87 87 ASP CA C 87 57.470 57.639 -0.169 1
1 501 . 5 1 1 A 87 87 ASP CB C 87 40.850 41.227 -0.377 1
1 502 . 5 1 1 A 87 87 ASP N N 87 115.980 118.791 -2.811 1
1 503 . 5 1 1 A 88 88 GLN H H 88 7.670 7.928 -0.258 1
1 504 . 5 1 1 A 88 88 GLN HA H 88 4.040 4.124 -0.084 1
1 511 . 5 1 1 A 88 88 GLN CA C 88 58.500 58.997 -0.497 1
1 512 . 5 1 1 A 88 88 GLN CB C 88 28.270 28.929 -0.659 1
1 514 . 5 1 1 A 88 88 GLN N N 88 119.920 119.162 0.758 1
1 516 . 5 1 1 A 89 89 ALA H H 89 7.950 7.512 0.438 1
1 517 . 5 1 1 A 89 89 ALA HA H 89 2.800 2.317 0.483 1
1 521 . 5 1 1 A 89 89 ALA CA C 89 54.930 54.303 0.627 1
1 522 . 5 1 1 A 89 89 ALA CB C 89 19.340 17.784 1.556 1
1 523 . 5 1 1 A 89 89 ALA N N 89 121.330 121.456 -0.126 1
1 524 . 5 1 1 A 90 90 VAL H H 90 8.030 8.567 -0.537 1
1 525 . 5 1 1 A 90 90 VAL HA H 90 3.370 3.588 -0.218 1
1 533 . 5 1 1 A 90 90 VAL CA C 90 67.090 66.266 0.824 1
1 534 . 5 1 1 A 90 90 VAL CB C 90 32.180 31.484 0.696 1
1 537 . 5 1 1 A 90 90 VAL N N 90 116.630 118.435 -1.805 1
1 538 . 5 1 1 A 91 91 ALA H H 91 7.350 7.956 -0.606 1
1 539 . 5 1 1 A 91 91 ALA HA H 91 4.130 4.109 0.021 1
1 543 . 5 1 1 A 91 91 ALA CA C 91 54.810 55.185 -0.375 1
1 544 . 5 1 1 A 91 91 ALA CB C 91 18.330 18.866 -0.536 1
1 545 . 5 1 1 A 91 91 ALA N N 91 119.620 121.983 -2.363 1
1 546 . 5 1 1 A 92 92 GLU H H 92 7.960 8.126 -0.166 1
1 547 . 5 1 1 A 92 92 GLU HA H 92 4.360 4.057 0.303 1
1 552 . 5 1 1 A 92 92 GLU CA C 92 57.930 60.163 -2.233 1
1 553 . 5 1 1 A 92 92 GLU CB C 92 30.980 30.414 0.566 1
1 555 . 5 1 1 A 92 92 GLU N N 92 113.770 118.311 -4.541 1
1 556 . 5 1 1 A 93 93 LEU H H 93 8.310 8.184 0.126 1
1 557 . 5 1 1 A 93 93 LEU HA H 93 4.620 3.990 0.630 1
1 567 . 5 1 1 A 93 93 LEU CA C 93 55.810 57.531 -1.721 1
1 568 . 5 1 1 A 93 93 LEU CB C 93 44.130 41.484 2.646 1
1 572 . 5 1 1 A 93 93 LEU N N 93 114.550 119.983 -5.433 1
1 573 . 5 1 1 A 94 94 ASN H H 94 7.910 7.615 0.295 1
1 574 . 5 1 1 A 94 94 ASN HA H 94 4.430 4.361 0.069 1
1 577 . 5 1 1 A 94 94 ASN CA C 94 56.690 54.842 1.848 1
1 578 . 5 1 1 A 94 94 ASN N N 94 116.840 117.643 -0.803 1
1 580 . 5 1 1 A 95 95 GLY H H 95 8.890 8.852 0.038 1
1 581 . 5 1 1 A 95 95 GLY HA2 H 95 3.960 3.951 0.009 1
1 582 . 5 1 1 A 95 95 GLY HA3 H 95 4.290 3.953 0.337 1
1 583 . 5 1 1 A 95 95 GLY CA C 95 46.090 45.736 0.354 1
1 584 . 5 1 1 A 95 95 GLY N N 95 116.350 113.816 2.534 1
1 585 . 5 1 1 A 96 96 THR H H 96 7.860 7.775 0.085 1
1 586 . 5 1 1 A 96 96 THR HA H 96 4.660 4.950 -0.290 1
1 591 . 5 1 1 A 96 96 THR CA C 96 60.880 59.346 1.534 1
1 592 . 5 1 1 A 96 96 THR CB C 96 71.090 71.992 -0.902 1
1 594 . 5 1 1 A 96 96 THR N N 96 113.920 111.052 2.868 1
1 595 . 5 1 1 A 97 97 GLN H H 97 8.360 8.696 -0.336 1
1 596 . 5 1 1 A 97 97 GLN HA H 97 5.210 5.085 0.125 1
1 602 . 5 1 1 A 97 97 GLN CA C 97 54.170 54.047 0.123 1
1 603 . 5 1 1 A 97 97 GLN CB C 97 30.470 32.591 -2.121 1
1 605 . 5 1 1 A 97 97 GLN N N 97 119.550 120.879 -1.329 1
1 607 . 5 1 1 A 98 98 VAL H H 98 8.900 9.207 -0.307 1
1 608 . 5 1 1 A 98 98 VAL HA H 98 4.200 4.458 -0.258 1
1 616 . 5 1 1 A 98 98 VAL CA C 98 61.350 60.645 0.705 1
1 617 . 5 1 1 A 98 98 VAL CB C 98 33.600 33.491 0.109 1
1 620 . 5 1 1 A 98 98 VAL N N 98 127.260 123.304 3.956 1
1 621 . 5 1 1 A 99 99 GLU H H 99 9.160 8.521 0.639 1
1 622 . 5 1 1 A 99 99 GLU HA H 99 3.820 4.086 -0.266 1
1 625 . 5 1 1 A 99 99 GLU CA C 99 57.950 59.257 -1.307 1
1 626 . 5 1 1 A 99 99 GLU CB C 99 27.110 29.945 -2.835 1
1 628 . 5 1 1 A 99 99 GLU N N 99 124.200 123.314 0.886 1
1 629 . 5 1 1 A 100 100 SER H H 100 8.330 7.867 0.463 1
1 630 . 5 1 1 A 100 100 SER HA H 100 4.280 4.646 -0.366 1
1 633 . 5 1 1 A 100 100 SER CA C 100 59.780 57.607 2.173 1
1 634 . 5 1 1 A 100 100 SER CB C 100 63.300 64.450 -1.150 1
1 635 . 5 1 1 A 100 100 SER N N 100 111.660 113.648 -1.988 1
1 636 . 5 1 1 A 101 101 VAL H H 101 8.410 7.571 0.839 1
1 637 . 5 1 1 A 101 101 VAL HA H 101 4.210 4.842 -0.632 1
1 645 . 5 1 1 A 101 101 VAL CA C 101 62.080 60.407 1.673 1
1 646 . 5 1 1 A 101 101 VAL CB C 101 33.200 36.393 -3.193 1
1 649 . 5 1 1 A 101 101 VAL N N 101 124.550 120.801 3.749 1
1 650 . 5 1 1 A 102 102 GLN H H 102 8.510 8.746 -0.236 1
1 651 . 5 1 1 A 102 102 GLN HA H 102 4.590 5.027 -0.437 1
1 658 . 5 1 1 A 102 102 GLN CA C 102 55.090 54.555 0.535 1
1 659 . 5 1 1 A 102 102 GLN CB C 102 28.620 31.323 -2.703 1
1 661 . 5 1 1 A 102 102 GLN N N 102 127.320 125.328 1.992 1
1 663 . 5 1 1 A 103 103 LEU H H 103 8.710 8.844 -0.134 1
1 664 . 5 1 1 A 103 103 LEU HA H 103 5.050 5.126 -0.076 1
1 674 . 5 1 1 A 103 103 LEU CA C 103 54.740 53.392 1.348 1
1 675 . 5 1 1 A 103 103 LEU CB C 103 44.820 44.519 0.301 1
1 679 . 5 1 1 A 103 103 LEU N N 103 126.610 123.525 3.085 1
1 680 . 5 1 1 A 104 104 LYS H H 104 8.690 8.845 -0.155 1
1 681 . 5 1 1 A 104 104 LYS HA H 104 5.030 5.032 -0.002 1
1 688 . 5 1 1 A 104 104 LYS CA C 104 55.480 54.898 0.582 1
1 689 . 5 1 1 A 104 104 LYS CB C 104 34.520 35.813 -1.293 1
1 693 . 5 1 1 A 104 104 LYS N N 104 124.080 123.134 0.946 1
1 694 . 5 1 1 A 105 105 VAL H H 105 9.050 8.658 0.392 1
1 695 . 5 1 1 A 105 105 VAL HA H 105 5.190 5.198 -0.008 1
1 703 . 5 1 1 A 105 105 VAL CA C 105 60.840 60.588 0.252 1
1 704 . 5 1 1 A 105 105 VAL CB C 105 35.660 35.165 0.495 1
1 707 . 5 1 1 A 105 105 VAL N N 105 123.920 122.252 1.668 1
1 708 . 5 1 1 A 106 106 ASN H H 106 9.300 8.735 0.565 1
1 709 . 5 1 1 A 106 106 ASN HA H 106 5.220 5.263 -0.043 1
1 714 . 5 1 1 A 106 106 ASN CA C 106 51.630 51.955 -0.325 1
1 715 . 5 1 1 A 106 106 ASN CB C 106 43.840 42.600 1.240 1
1 716 . 5 1 1 A 106 106 ASN N N 106 122.780 121.903 0.877 1
1 718 . 5 1 1 A 107 107 ILE H H 107 9.050 8.618 0.432 1
1 719 . 5 1 1 A 107 107 ILE HA H 107 4.160 4.958 -0.798 1
1 729 . 5 1 1 A 107 107 ILE CA C 107 61.670 60.059 1.611 1
1 730 . 5 1 1 A 107 107 ILE CB C 107 36.140 40.411 -4.271 1
1 733 . 5 1 1 A 107 107 ILE N N 107 122.980 120.806 2.174 1
1 734 . 5 1 1 A 108 108 ALA H H 108 8.740 8.617 0.123 1
1 735 . 5 1 1 A 108 108 ALA HA H 108 4.780 5.267 -0.487 1
1 739 . 5 1 1 A 108 108 ALA CA C 108 52.620 50.459 2.161 1
1 740 . 5 1 1 A 108 108 ALA CB C 108 19.570 23.763 -4.193 1
1 741 . 5 1 1 A 108 108 ALA N N 108 131.610 128.840 2.770 1
1 742 . 5 1 1 A 109 109 ARG HA H 109 4.390 4.569 -0.179 1
1 746 . 5 1 1 A 109 109 ARG CA C 109 56.120 55.441 0.679 1
1 747 . 5 1 1 A 109 109 ARG CB C 109 31.010 30.147 0.863 1
1 749 . 5 1 1 A 111 111 GLN HA H 111 4.630 4.688 -0.058 1
1 754 . 5 1 1 A 111 111 GLN CA C 111 55.160 52.783 2.377 1
1 755 . 5 1 1 A 111 111 GLN CB C 111 32.900 29.058 3.842 1
1 757 . 5 1 1 A 112 112 PRO HA H 112 4.370 4.454 -0.084 1
1 761 . 5 1 1 A 112 112 PRO CA C 112 64.090 64.269 -0.179 1
1 762 . 5 1 1 A 112 112 PRO CB C 112 32.650 32.084 0.566 1
1 767 . 5 1 1 A 114 114 LEU H H 114 7.710 7.865 -0.155 1
1 768 . 5 1 1 A 114 114 LEU HA H 114 4.440 4.576 -0.136 1
1 777 . 5 1 1 A 114 114 LEU CB C 114 42.640 43.130 -0.490 1
1 780 . 5 1 1 A 114 114 LEU N N 114 123.050 119.427 3.623 1
1 781 . 5 1 1 A 115 115 ASP H H 115 8.440 8.277 0.163 1
1 782 . 5 1 1 A 115 115 ASP HA H 115 4.610 4.265 0.345 1
1 785 . 5 1 1 A 115 115 ASP CA C 115 54.620 55.606 -0.986 1
1 786 . 5 1 1 A 115 115 ASP CB C 115 40.720 39.085 1.635 1
1 787 . 5 1 1 A 115 115 ASP N N 115 119.520 116.060 3.460 1
1 788 . 5 1 1 A 116 116 ALA H H 116 8.060 8.288 -0.228 1
1 789 . 5 1 1 A 116 116 ALA HA H 116 4.320 4.433 -0.113 1
1 793 . 5 1 1 A 116 116 ALA CA C 116 53.080 54.793 -1.713 1
1 794 . 5 1 1 A 116 116 ALA CB C 116 19.000 18.064 0.936 1
1 795 . 5 1 1 A 116 116 ALA N N 116 123.460 112.905 10.555 1
1 796 . 5 1 1 A 117 117 ALA H H 117 8.110 8.117 -0.007 1
1 797 . 5 1 1 A 117 117 ALA HA H 117 4.640 4.607 0.033 1
1 801 . 5 1 1 A 117 117 ALA CA C 117 52.600 51.726 0.874 1
1 802 . 5 1 1 A 117 117 ALA CB C 117 19.360 22.989 -3.629 1
1 803 . 5 1 1 A 117 117 ALA N N 117 121.130 115.828 5.302 1
1 804 . 5 1 1 A 118 118 THR H H 118 8.060 8.449 -0.389 1
1 805 . 5 1 1 A 118 118 THR HA H 118 4.430 5.141 -0.711 1
1 810 . 5 1 1 A 118 118 THR CA C 118 62.130 59.606 2.524 1
1 811 . 5 1 1 A 118 118 THR CB C 118 69.840 72.092 -2.252 1
1 813 . 5 1 1 A 118 118 THR N N 118 112.100 110.958 1.142 1
1 814 . 5 1 1 A 119 119 GLY H H 119 8.430 8.619 -0.189 1
1 815 . 5 1 1 A 119 119 GLY N N 119 111.230 108.878 2.352 1
1 816 . 5 1 1 A 120 120 LYS H H 120 8.200 8.745 -0.545 1
1 817 . 5 1 1 A 120 120 LYS HA H 120 4.510 3.837 0.673 1
1 821 . 5 1 1 A 120 120 LYS CA C 120 56.110 57.011 -0.901 1
1 822 . 5 1 1 A 120 120 LYS CB C 120 33.270 29.648 3.622 1
1 823 . 5 1 1 A 120 120 LYS N N 120 121.180 118.123 3.057 1
1 17 . 6 1 1 A 37 37 ARG H H 37 8.370 7.868 0.502 1
1 18 . 6 1 1 A 37 37 ARG N N 37 121.030 119.750 1.280 1
1 19 . 6 1 1 A 38 38 LYS H H 38 8.150 8.622 -0.472 1
1 20 . 6 1 1 A 38 38 LYS HA H 38 4.750 4.941 -0.191 1
1 25 . 6 1 1 A 38 38 LYS CA C 38 54.190 54.744 -0.554 1
1 26 . 6 1 1 A 38 38 LYS CB C 38 35.040 34.741 0.299 1
1 27 . 6 1 1 A 38 38 LYS N N 38 119.860 122.722 -2.862 1
1 28 . 6 1 1 A 39 39 GLY H H 39 8.710 9.346 -0.636 1
1 29 . 6 1 1 A 39 39 GLY HA3 H 39 4.050 4.308 -0.258 1
1 30 . 6 1 1 A 39 39 GLY CA C 39 45.460 45.712 -0.252 1
1 31 . 6 1 1 A 39 39 GLY N N 39 107.990 108.629 -0.639 1
1 32 . 6 1 1 A 40 40 ASN H H 40 8.300 8.815 -0.515 1
1 33 . 6 1 1 A 40 40 ASN HA H 40 4.850 5.269 -0.419 1
1 38 . 6 1 1 A 40 40 ASN CA C 40 54.110 53.077 1.033 1
1 39 . 6 1 1 A 40 40 ASN CB C 40 37.840 41.557 -3.717 1
1 40 . 6 1 1 A 40 40 ASN N N 40 115.650 118.205 -2.555 1
1 42 . 6 1 1 A 41 41 THR HA H 41 5.400 5.122 0.278 1
1 47 . 6 1 1 A 41 41 THR CA C 41 63.410 63.045 0.365 1
1 48 . 6 1 1 A 41 41 THR CB C 41 69.930 69.714 0.216 1
1 50 . 6 1 1 A 42 42 LEU H H 42 9.900 9.393 0.507 1
1 51 . 6 1 1 A 42 42 LEU HA H 42 5.090 5.224 -0.134 1
1 61 . 6 1 1 A 42 42 LEU CA C 42 53.260 53.297 -0.037 1
1 62 . 6 1 1 A 42 42 LEU CB C 42 43.590 45.523 -1.933 1
1 66 . 6 1 1 A 42 42 LEU N N 42 127.870 126.389 1.481 1
1 67 . 6 1 1 A 43 43 TYR H H 43 9.190 8.842 0.348 1
1 68 . 6 1 1 A 43 43 TYR HA H 43 4.420 5.374 -0.954 1
1 71 . 6 1 1 A 43 43 TYR CB C 43 40.310 41.646 -1.336 1
1 72 . 6 1 1 A 43 43 TYR N N 43 124.140 124.643 -0.503 1
1 73 . 6 1 1 A 44 44 VAL H H 44 7.980 8.290 -0.310 1
1 74 . 6 1 1 A 44 44 VAL HA H 44 4.810 4.964 -0.154 1
1 82 . 6 1 1 A 44 44 VAL CA C 44 59.320 61.061 -1.741 1
1 83 . 6 1 1 A 44 44 VAL CB C 44 34.360 33.789 0.571 1
1 86 . 6 1 1 A 44 44 VAL N N 44 127.360 127.645 -0.285 1
1 87 . 6 1 1 A 45 45 TYR H H 45 9.020 9.115 -0.095 1
1 88 . 6 1 1 A 45 45 TYR HA H 45 4.980 5.375 -0.395 1
1 94 . 6 1 1 A 45 45 TYR CA C 45 55.680 55.619 0.061 1
1 95 . 6 1 1 A 45 45 TYR CB C 45 42.210 41.417 0.793 1
1 96 . 6 1 1 A 45 45 TYR N N 45 126.390 128.394 -2.004 1
1 97 . 6 1 1 A 46 46 GLY H H 46 7.510 7.432 0.078 1
1 98 . 6 1 1 A 46 46 GLY HA2 H 46 3.830 4.032 -0.202 1
1 99 . 6 1 1 A 46 46 GLY HA3 H 46 3.830 4.062 -0.232 1
1 100 . 6 1 1 A 46 46 GLY CA C 46 45.360 45.866 -0.506 1
1 101 . 6 1 1 A 46 46 GLY N N 46 114.220 112.298 1.922 1
1 102 . 6 1 1 A 47 47 GLU H H 47 8.750 8.642 0.108 1
1 103 . 6 1 1 A 47 47 GLU HA H 47 3.990 4.621 -0.631 1
1 108 . 6 1 1 A 47 47 GLU CA C 47 56.720 54.722 1.998 1
1 109 . 6 1 1 A 47 47 GLU CB C 47 30.460 32.619 -2.159 1
1 111 . 6 1 1 A 47 47 GLU N N 47 123.880 119.754 4.126 1
1 112 . 6 1 1 A 48 48 ASP H H 48 8.540 8.630 -0.090 1
1 113 . 6 1 1 A 48 48 ASP HA H 48 4.250 4.057 0.193 1
1 116 . 6 1 1 A 48 48 ASP CA C 48 55.210 55.089 0.121 1
1 117 . 6 1 1 A 48 48 ASP CB C 48 39.150 39.483 -0.333 1
1 118 . 6 1 1 A 48 48 ASP N N 48 117.200 117.923 -0.723 1
1 119 . 6 1 1 A 49 49 MET H H 49 8.190 7.792 0.398 1
1 120 . 6 1 1 A 49 49 MET HA H 49 4.120 4.971 -0.851 1
1 126 . 6 1 1 A 49 49 MET CA C 49 57.510 54.023 3.487 1
1 127 . 6 1 1 A 49 49 MET CB C 49 34.620 34.105 0.515 1
1 129 . 6 1 1 A 49 49 MET N N 49 114.560 118.086 -3.526 1
1 130 . 6 1 1 A 50 50 THR H H 50 6.510 8.628 -2.118 1
1 131 . 6 1 1 A 50 50 THR HA H 50 5.020 4.912 0.108 1
1 136 . 6 1 1 A 50 50 THR CA C 50 57.960 58.390 -0.430 1
1 137 . 6 1 1 A 50 50 THR CB C 50 70.150 69.828 0.322 1
1 139 . 6 1 1 A 50 50 THR N N 50 108.060 115.346 -7.286 1
1 140 . 6 1 1 A 51 51 PRO HA H 51 4.340 4.252 0.088 1
1 146 . 6 1 1 A 51 51 PRO CA C 51 65.790 65.725 0.065 1
1 147 . 6 1 1 A 51 51 PRO CB C 51 31.780 31.608 0.172 1
1 150 . 6 1 1 A 52 52 THR H H 52 7.640 7.843 -0.203 1
1 151 . 6 1 1 A 52 52 THR HA H 52 3.980 4.004 -0.024 1
1 156 . 6 1 1 A 52 52 THR CA C 52 66.160 65.614 0.546 1
1 157 . 6 1 1 A 52 52 THR CB C 52 68.430 68.634 -0.204 1
1 159 . 6 1 1 A 52 52 THR N N 52 111.520 111.577 -0.057 1
1 160 . 6 1 1 A 53 53 LEU H H 53 7.810 8.034 -0.224 1
1 161 . 6 1 1 A 53 53 LEU HA H 53 4.130 4.049 0.081 1
1 171 . 6 1 1 A 53 53 LEU CA C 53 58.360 58.387 -0.027 1
1 172 . 6 1 1 A 53 53 LEU CB C 53 42.970 41.432 1.538 1
1 176 . 6 1 1 A 53 53 LEU N N 53 125.410 121.467 3.943 1
1 177 . 6 1 1 A 54 54 LEU H H 54 7.840 8.198 -0.358 1
1 178 . 6 1 1 A 54 54 LEU HA H 54 4.260 4.030 0.230 1
1 188 . 6 1 1 A 54 54 LEU CA C 54 57.580 58.273 -0.693 1
1 189 . 6 1 1 A 54 54 LEU CB C 54 42.330 41.491 0.839 1
1 193 . 6 1 1 A 54 54 LEU N N 54 117.150 118.665 -1.515 1
1 194 . 6 1 1 A 55 55 ARG H H 55 9.020 8.710 0.310 1
1 195 . 6 1 1 A 55 55 ARG HA H 55 3.880 4.149 -0.269 1
1 202 . 6 1 1 A 55 55 ARG CA C 55 60.890 59.208 1.682 1
1 203 . 6 1 1 A 55 55 ARG CB C 55 29.580 29.887 -0.307 1
1 206 . 6 1 1 A 55 55 ARG N N 55 120.050 117.734 2.316 1
1 207 . 6 1 1 A 56 56 GLY H H 56 8.180 8.171 0.009 1
1 208 . 6 1 1 A 56 56 GLY HA2 H 56 3.940 3.846 0.094 1
1 209 . 6 1 1 A 56 56 GLY HA3 H 56 4.100 3.861 0.239 1
1 210 . 6 1 1 A 56 56 GLY CA C 56 47.210 46.921 0.289 1
1 211 . 6 1 1 A 56 56 GLY N N 56 106.700 108.073 -1.373 1
1 212 . 6 1 1 A 57 57 ALA H H 57 7.830 8.042 -0.212 1
1 213 . 6 1 1 A 57 57 ALA HA H 57 4.360 4.189 0.171 1
1 217 . 6 1 1 A 57 57 ALA CA C 57 53.590 53.979 -0.389 1
1 218 . 6 1 1 A 57 57 ALA CB C 57 19.050 18.489 0.561 1
1 219 . 6 1 1 A 57 57 ALA N N 57 120.270 124.245 -3.975 1
1 220 . 6 1 1 A 58 58 PHE H H 58 8.600 8.309 0.291 1
1 221 . 6 1 1 A 58 58 PHE HA H 58 4.790 5.668 -0.878 1
1 227 . 6 1 1 A 58 58 PHE CA C 58 60.210 57.735 2.475 1
1 228 . 6 1 1 A 58 58 PHE CB C 58 38.390 39.644 -1.254 1
1 229 . 6 1 1 A 58 58 PHE N N 58 110.250 116.959 -6.709 1
1 230 . 6 1 1 A 59 59 SER H H 59 8.610 8.050 0.560 1
1 231 . 6 1 1 A 59 59 SER HA H 59 4.810 4.396 0.414 1
1 234 . 6 1 1 A 59 59 SER CA C 59 63.540 63.151 0.389 1
1 235 . 6 1 1 A 59 59 SER CB C 59 62.910 62.971 -0.061 1
1 236 . 6 1 1 A 59 59 SER N N 59 122.860 116.267 6.593 1
1 237 . 6 1 1 A 60 60 PRO HA H 60 4.280 4.335 -0.055 1
1 244 . 6 1 1 A 60 60 PRO CA C 60 65.680 65.588 0.092 1
1 245 . 6 1 1 A 60 60 PRO CB C 60 31.420 30.788 0.632 1
1 248 . 6 1 1 A 61 61 PHE H H 61 6.850 8.588 -1.738 1
1 249 . 6 1 1 A 61 61 PHE HA H 61 4.510 4.223 0.287 1
1 257 . 6 1 1 A 61 61 PHE CA C 61 58.310 60.708 -2.398 1
1 258 . 6 1 1 A 61 61 PHE CB C 61 38.920 38.798 0.122 1
1 259 . 6 1 1 A 61 61 PHE N N 61 109.700 116.758 -7.058 1
1 260 . 6 1 1 A 62 62 GLY H H 62 7.800 7.463 0.337 1
1 261 . 6 1 1 A 62 62 GLY HA2 H 62 4.090 3.931 0.159 1
1 262 . 6 1 1 A 62 62 GLY HA3 H 62 4.290 4.087 0.203 1
1 263 . 6 1 1 A 62 62 GLY CA C 62 45.290 45.771 -0.481 1
1 264 . 6 1 1 A 62 62 GLY N N 62 106.520 104.282 2.238 1
1 265 . 6 1 1 A 63 63 ASN H H 63 8.520 8.592 -0.072 1
1 266 . 6 1 1 A 63 63 ASN HA H 63 4.920 5.450 -0.530 1
1 271 . 6 1 1 A 63 63 ASN CA C 63 52.930 52.493 0.437 1
1 272 . 6 1 1 A 63 63 ASN CB C 63 38.630 40.490 -1.860 1
1 273 . 6 1 1 A 63 63 ASN N N 63 117.020 118.779 -1.759 1
1 275 . 6 1 1 A 64 64 ILE H H 64 8.750 9.066 -0.316 1
1 276 . 6 1 1 A 64 64 ILE HA H 64 4.100 4.768 -0.668 1
1 286 . 6 1 1 A 64 64 ILE CA C 64 61.940 60.416 1.524 1
1 287 . 6 1 1 A 64 64 ILE CB C 64 38.780 39.222 -0.442 1
1 291 . 6 1 1 A 64 64 ILE N N 64 127.930 125.232 2.698 1
1 292 . 6 1 1 A 65 65 ILE H H 65 8.910 8.802 0.108 1
1 293 . 6 1 1 A 65 65 ILE HA H 65 4.490 4.426 0.064 1
1 303 . 6 1 1 A 65 65 ILE CA C 65 61.310 61.331 -0.021 1
1 304 . 6 1 1 A 65 65 ILE CB C 65 38.470 39.148 -0.678 1
1 308 . 6 1 1 A 65 65 ILE N N 65 124.530 121.051 3.479 1
1 309 . 6 1 1 A 66 66 ASP H H 66 7.520 7.888 -0.368 1
1 310 . 6 1 1 A 66 66 ASP HA H 66 4.700 5.112 -0.412 1
1 313 . 6 1 1 A 66 66 ASP CA C 66 55.520 53.847 1.673 1
1 314 . 6 1 1 A 66 66 ASP CB C 66 45.290 43.145 2.145 1
1 315 . 6 1 1 A 66 66 ASP N N 66 119.140 121.265 -2.125 1
1 316 . 6 1 1 A 67 67 LEU H H 67 8.230 8.967 -0.737 1
1 317 . 6 1 1 A 67 67 LEU HA H 67 4.980 5.043 -0.063 1
1 326 . 6 1 1 A 67 67 LEU CA C 67 54.980 53.525 1.455 1
1 327 . 6 1 1 A 67 67 LEU CB C 67 44.440 44.672 -0.232 1
1 330 . 6 1 1 A 67 67 LEU N N 67 127.890 128.864 -0.974 1
1 331 . 6 1 1 A 68 68 SER H H 68 8.810 8.940 -0.130 1
1 332 . 6 1 1 A 68 68 SER HA H 68 4.970 5.296 -0.326 1
1 335 . 6 1 1 A 68 68 SER CA C 68 57.170 56.726 0.444 1
1 336 . 6 1 1 A 68 68 SER CB C 68 65.320 65.470 -0.150 1
1 337 . 6 1 1 A 68 68 SER N N 68 122.560 120.821 1.739 1
1 338 . 6 1 1 A 69 69 MET H H 69 9.050 8.999 0.051 1
1 339 . 6 1 1 A 69 69 MET HA H 69 4.740 5.321 -0.581 1
1 345 . 6 1 1 A 69 69 MET CA C 69 54.520 53.833 0.687 1
1 348 . 6 1 1 A 69 69 MET N N 69 122.420 123.733 -1.313 1
1 349 . 6 1 1 A 70 70 ASP H H 70 8.620 8.304 0.316 1
1 350 . 6 1 1 A 70 70 ASP HA H 70 5.140 5.229 -0.089 1
1 353 . 6 1 1 A 70 70 ASP CA C 70 51.410 50.866 0.544 1
1 354 . 6 1 1 A 70 70 ASP CB C 70 40.930 42.360 -1.430 1
1 355 . 6 1 1 A 70 70 ASP N N 70 120.620 122.078 -1.458 1
1 356 . 6 1 1 A 71 71 PRO HA H 71 4.760 4.369 0.391 1
1 359 . 6 1 1 A 71 71 PRO CA C 71 66.380 64.386 1.994 1
1 361 . 6 1 1 A 72 72 PRO HA H 72 4.520 4.341 0.179 1
1 368 . 6 1 1 A 72 72 PRO CA C 72 65.750 65.384 0.366 1
1 369 . 6 1 1 A 72 72 PRO CB C 72 31.570 30.921 0.649 1
1 371 . 6 1 1 A 73 73 ARG H H 73 7.360 7.975 -0.615 1
1 372 . 6 1 1 A 73 73 ARG HA H 73 4.570 4.585 -0.015 1
1 378 . 6 1 1 A 73 73 ARG CA C 73 55.160 56.644 -1.484 1
1 379 . 6 1 1 A 73 73 ARG CB C 73 29.000 30.834 -1.834 1
1 382 . 6 1 1 A 73 73 ARG N N 73 114.560 117.747 -3.187 1
1 383 . 6 1 1 A 74 74 ASN H H 74 8.440 7.622 0.818 1
1 384 . 6 1 1 A 74 74 ASN HA H 74 4.270 4.122 0.148 1
1 389 . 6 1 1 A 74 74 ASN CA C 74 53.830 54.519 -0.689 1
1 390 . 6 1 1 A 74 74 ASN CB C 74 37.500 36.512 0.988 1
1 391 . 6 1 1 A 74 74 ASN N N 74 115.460 115.507 -0.047 1
1 393 . 6 1 1 A 75 75 CYS H H 75 7.270 7.328 -0.058 1
1 394 . 6 1 1 A 75 75 CYS HA H 75 5.730 5.106 0.624 1
1 396 . 6 1 1 A 75 75 CYS CA C 75 55.420 57.056 -1.636 1
1 397 . 6 1 1 A 75 75 CYS CB C 75 32.640 30.780 1.860 1
1 398 . 6 1 1 A 75 75 CYS N N 75 127.180 113.235 13.945 1
1 399 . 6 1 1 A 76 76 ALA H H 76 8.590 8.185 0.405 1
1 403 . 6 1 1 A 76 76 ALA CB C 76 24.400 22.286 2.114 1
1 404 . 6 1 1 A 76 76 ALA N N 76 122.120 124.387 -2.267 1
1 405 . 6 1 1 A 77 77 PHE H H 77 8.780 9.498 -0.718 1
1 406 . 6 1 1 A 77 77 PHE HA H 77 5.620 5.336 0.284 1
1 407 . 6 1 1 A 77 77 PHE CA C 77 55.850 56.539 -0.689 1
1 408 . 6 1 1 A 77 77 PHE N N 77 115.390 117.732 -2.342 1
1 409 . 6 1 1 A 78 78 VAL H H 78 8.580 8.692 -0.112 1
1 410 . 6 1 1 A 78 78 VAL HA H 78 4.300 4.574 -0.274 1
1 418 . 6 1 1 A 78 78 VAL CA C 78 60.960 60.402 0.558 1
1 419 . 6 1 1 A 78 78 VAL CB C 78 34.360 34.849 -0.489 1
1 422 . 6 1 1 A 78 78 VAL N N 78 126.440 122.216 4.224 1
1 423 . 6 1 1 A 79 79 THR H H 79 8.960 8.722 0.238 1
1 424 . 6 1 1 A 79 79 THR HA H 79 5.330 5.265 0.065 1
1 429 . 6 1 1 A 79 79 THR CA C 79 61.940 61.490 0.450 1
1 430 . 6 1 1 A 79 79 THR CB C 79 69.910 69.616 0.294 1
1 432 . 6 1 1 A 79 79 THR N N 79 123.990 123.721 0.269 1
1 433 . 6 1 1 A 80 80 TYR H H 80 8.880 9.775 -0.895 1
1 434 . 6 1 1 A 80 80 TYR HA H 80 5.400 4.899 0.501 1
1 437 . 6 1 1 A 80 80 TYR CA C 80 57.660 57.591 0.069 1
1 438 . 6 1 1 A 80 80 TYR CB C 80 42.220 39.347 2.873 1
1 439 . 6 1 1 A 80 80 TYR N N 80 126.670 126.935 -0.265 1
1 440 . 6 1 1 A 81 81 GLU H H 81 8.490 8.809 -0.319 1
1 441 . 6 1 1 A 81 81 GLU HA H 81 4.110 4.258 -0.148 1
1 446 . 6 1 1 A 81 81 GLU CA C 81 59.290 59.651 -0.361 1
1 447 . 6 1 1 A 81 81 GLU CB C 81 31.210 29.745 1.465 1
1 449 . 6 1 1 A 81 81 GLU N N 81 119.690 126.193 -6.503 1
1 450 . 6 1 1 A 82 82 LYS H H 82 8.460 7.972 0.488 1
1 451 . 6 1 1 A 82 82 LYS HA H 82 5.020 4.765 0.255 1
1 457 . 6 1 1 A 82 82 LYS CA C 82 54.140 54.660 -0.520 1
1 458 . 6 1 1 A 82 82 LYS CB C 82 34.420 35.925 -1.505 1
1 462 . 6 1 1 A 82 82 LYS N N 82 113.920 116.926 -3.006 1
1 463 . 6 1 1 A 83 83 MET H H 83 9.100 8.982 0.118 1
1 464 . 6 1 1 A 83 83 MET HA H 83 4.070 4.330 -0.260 1
1 468 . 6 1 1 A 83 83 MET CA C 83 59.570 57.636 1.934 1
1 469 . 6 1 1 A 83 83 MET CB C 83 32.420 31.661 0.759 1
1 471 . 6 1 1 A 83 83 MET N N 83 122.530 122.048 0.482 1
1 472 . 6 1 1 A 84 84 GLU H H 84 9.690 7.836 1.854 1
1 473 . 6 1 1 A 84 84 GLU HA H 84 4.240 4.111 0.129 1
1 477 . 6 1 1 A 84 84 GLU CA C 84 60.040 59.170 0.870 1
1 478 . 6 1 1 A 84 84 GLU CB C 84 28.640 29.833 -1.193 1
1 480 . 6 1 1 A 84 84 GLU N N 84 117.940 120.141 -2.201 1
1 481 . 6 1 1 A 85 85 SER H H 85 7.110 8.104 -0.994 1
1 482 . 6 1 1 A 85 85 SER HA H 85 4.130 4.017 0.113 1
1 485 . 6 1 1 A 85 85 SER CA C 85 61.840 61.549 0.291 1
1 486 . 6 1 1 A 85 85 SER CB C 85 62.400 62.505 -0.105 1
1 487 . 6 1 1 A 85 85 SER N N 85 115.500 116.575 -1.075 1
1 488 . 6 1 1 A 86 86 ALA H H 86 6.860 7.802 -0.942 1
1 489 . 6 1 1 A 86 86 ALA HA H 86 4.080 4.409 -0.329 1
1 493 . 6 1 1 A 86 86 ALA CA C 86 55.210 54.801 0.409 1
1 494 . 6 1 1 A 86 86 ALA CB C 86 18.070 18.435 -0.365 1
1 495 . 6 1 1 A 86 86 ALA N N 86 122.760 123.270 -0.510 1
1 496 . 6 1 1 A 87 87 ASP H H 87 7.680 8.083 -0.403 1
1 497 . 6 1 1 A 87 87 ASP HA H 87 4.390 4.375 0.015 1
1 500 . 6 1 1 A 87 87 ASP CA C 87 57.470 57.392 0.078 1
1 501 . 6 1 1 A 87 87 ASP CB C 87 40.850 41.041 -0.191 1
1 502 . 6 1 1 A 87 87 ASP N N 87 115.980 118.699 -2.719 1
1 503 . 6 1 1 A 88 88 GLN H H 88 7.670 7.892 -0.222 1
1 504 . 6 1 1 A 88 88 GLN HA H 88 4.040 4.122 -0.082 1
1 511 . 6 1 1 A 88 88 GLN CA C 88 58.500 58.835 -0.335 1
1 512 . 6 1 1 A 88 88 GLN CB C 88 28.270 28.770 -0.500 1
1 514 . 6 1 1 A 88 88 GLN N N 88 119.920 119.259 0.661 1
1 516 . 6 1 1 A 89 89 ALA H H 89 7.950 7.607 0.343 1
1 517 . 6 1 1 A 89 89 ALA HA H 89 2.800 2.187 0.613 1
1 521 . 6 1 1 A 89 89 ALA CA C 89 54.930 54.151 0.779 1
1 522 . 6 1 1 A 89 89 ALA CB C 89 19.340 17.885 1.455 1
1 523 . 6 1 1 A 89 89 ALA N N 89 121.330 121.813 -0.483 1
1 524 . 6 1 1 A 90 90 VAL H H 90 8.030 8.641 -0.611 1
1 525 . 6 1 1 A 90 90 VAL HA H 90 3.370 3.512 -0.142 1
1 533 . 6 1 1 A 90 90 VAL CA C 90 67.090 66.671 0.419 1
1 534 . 6 1 1 A 90 90 VAL CB C 90 32.180 31.564 0.616 1
1 537 . 6 1 1 A 90 90 VAL N N 90 116.630 118.665 -2.035 1
1 538 . 6 1 1 A 91 91 ALA H H 91 7.350 7.954 -0.604 1
1 539 . 6 1 1 A 91 91 ALA HA H 91 4.130 4.050 0.080 1
1 543 . 6 1 1 A 91 91 ALA CA C 91 54.810 55.301 -0.491 1
1 544 . 6 1 1 A 91 91 ALA CB C 91 18.330 18.105 0.225 1
1 545 . 6 1 1 A 91 91 ALA N N 91 119.620 121.899 -2.279 1
1 546 . 6 1 1 A 92 92 GLU H H 92 7.960 7.799 0.161 1
1 547 . 6 1 1 A 92 92 GLU HA H 92 4.360 4.155 0.205 1
1 552 . 6 1 1 A 92 92 GLU CA C 92 57.930 58.849 -0.919 1
1 553 . 6 1 1 A 92 92 GLU CB C 92 30.980 29.708 1.272 1
1 555 . 6 1 1 A 92 92 GLU N N 92 113.770 118.968 -5.198 1
1 556 . 6 1 1 A 93 93 LEU H H 93 8.310 8.311 -0.001 1
1 557 . 6 1 1 A 93 93 LEU HA H 93 4.620 4.011 0.609 1
1 567 . 6 1 1 A 93 93 LEU CA C 93 55.810 57.465 -1.655 1
1 568 . 6 1 1 A 93 93 LEU CB C 93 44.130 41.232 2.898 1
1 572 . 6 1 1 A 93 93 LEU N N 93 114.550 119.030 -4.480 1
1 573 . 6 1 1 A 94 94 ASN H H 94 7.910 7.955 -0.045 1
1 574 . 6 1 1 A 94 94 ASN HA H 94 4.430 4.346 0.084 1
1 577 . 6 1 1 A 94 94 ASN CA C 94 56.690 54.961 1.729 1
1 578 . 6 1 1 A 94 94 ASN N N 94 116.840 117.772 -0.932 1
1 580 . 6 1 1 A 95 95 GLY H H 95 8.890 8.918 -0.028 1
1 581 . 6 1 1 A 95 95 GLY HA2 H 95 3.960 3.948 0.012 1
1 582 . 6 1 1 A 95 95 GLY HA3 H 95 4.290 3.951 0.339 1
1 583 . 6 1 1 A 95 95 GLY CA C 95 46.090 45.536 0.554 1
1 584 . 6 1 1 A 95 95 GLY N N 95 116.350 113.738 2.612 1
1 585 . 6 1 1 A 96 96 THR H H 96 7.860 7.769 0.091 1
1 586 . 6 1 1 A 96 96 THR HA H 96 4.660 4.960 -0.300 1
1 591 . 6 1 1 A 96 96 THR CA C 96 60.880 59.389 1.491 1
1 592 . 6 1 1 A 96 96 THR CB C 96 71.090 72.009 -0.919 1
1 594 . 6 1 1 A 96 96 THR N N 96 113.920 111.290 2.630 1
1 595 . 6 1 1 A 97 97 GLN H H 97 8.360 8.722 -0.362 1
1 596 . 6 1 1 A 97 97 GLN HA H 97 5.210 5.110 0.100 1
1 602 . 6 1 1 A 97 97 GLN CA C 97 54.170 53.990 0.180 1
1 603 . 6 1 1 A 97 97 GLN CB C 97 30.470 32.306 -1.836 1
1 605 . 6 1 1 A 97 97 GLN N N 97 119.550 121.415 -1.865 1
1 607 . 6 1 1 A 98 98 VAL H H 98 8.900 9.674 -0.774 1
1 608 . 6 1 1 A 98 98 VAL HA H 98 4.200 4.382 -0.182 1
1 616 . 6 1 1 A 98 98 VAL CA C 98 61.350 61.029 0.321 1
1 617 . 6 1 1 A 98 98 VAL CB C 98 33.600 32.459 1.141 1
1 620 . 6 1 1 A 98 98 VAL N N 98 127.260 126.170 1.090 1
1 621 . 6 1 1 A 99 99 GLU H H 99 9.160 8.620 0.540 1
1 622 . 6 1 1 A 99 99 GLU HA H 99 3.820 4.067 -0.247 1
1 625 . 6 1 1 A 99 99 GLU CA C 99 57.950 59.320 -1.370 1
1 626 . 6 1 1 A 99 99 GLU CB C 99 27.110 29.972 -2.862 1
1 628 . 6 1 1 A 99 99 GLU N N 99 124.200 123.536 0.664 1
1 629 . 6 1 1 A 100 100 SER H H 100 8.330 7.949 0.381 1
1 630 . 6 1 1 A 100 100 SER HA H 100 4.280 4.679 -0.399 1
1 633 . 6 1 1 A 100 100 SER CA C 100 59.780 57.343 2.437 1
1 634 . 6 1 1 A 100 100 SER CB C 100 63.300 64.390 -1.090 1
1 635 . 6 1 1 A 100 100 SER N N 100 111.660 113.427 -1.767 1
1 636 . 6 1 1 A 101 101 VAL H H 101 8.410 7.598 0.812 1
1 637 . 6 1 1 A 101 101 VAL HA H 101 4.210 4.839 -0.629 1
1 645 . 6 1 1 A 101 101 VAL CA C 101 62.080 60.070 2.010 1
1 646 . 6 1 1 A 101 101 VAL CB C 101 33.200 36.598 -3.398 1
1 649 . 6 1 1 A 101 101 VAL N N 101 124.550 121.195 3.355 1
1 650 . 6 1 1 A 102 102 GLN H H 102 8.510 8.570 -0.060 1
1 651 . 6 1 1 A 102 102 GLN HA H 102 4.590 4.873 -0.283 1
1 658 . 6 1 1 A 102 102 GLN CA C 102 55.090 54.716 0.374 1
1 659 . 6 1 1 A 102 102 GLN CB C 102 28.620 30.798 -2.178 1
1 661 . 6 1 1 A 102 102 GLN N N 102 127.320 124.713 2.607 1
1 663 . 6 1 1 A 103 103 LEU H H 103 8.710 8.562 0.148 1
1 664 . 6 1 1 A 103 103 LEU HA H 103 5.050 5.079 -0.029 1
1 674 . 6 1 1 A 103 103 LEU CA C 103 54.740 53.256 1.484 1
1 675 . 6 1 1 A 103 103 LEU CB C 103 44.820 44.249 0.571 1
1 679 . 6 1 1 A 103 103 LEU N N 103 126.610 124.351 2.259 1
1 680 . 6 1 1 A 104 104 LYS H H 104 8.690 8.756 -0.066 1
1 681 . 6 1 1 A 104 104 LYS HA H 104 5.030 5.237 -0.207 1
1 688 . 6 1 1 A 104 104 LYS CA C 104 55.480 54.905 0.575 1
1 689 . 6 1 1 A 104 104 LYS CB C 104 34.520 36.332 -1.812 1
1 693 . 6 1 1 A 104 104 LYS N N 104 124.080 121.952 2.128 1
1 694 . 6 1 1 A 105 105 VAL H H 105 9.050 8.893 0.157 1
1 695 . 6 1 1 A 105 105 VAL HA H 105 5.190 5.369 -0.179 1
1 703 . 6 1 1 A 105 105 VAL CA C 105 60.840 60.714 0.126 1
1 704 . 6 1 1 A 105 105 VAL CB C 105 35.660 34.456 1.204 1
1 707 . 6 1 1 A 105 105 VAL N N 105 123.920 123.401 0.519 1
1 708 . 6 1 1 A 106 106 ASN H H 106 9.300 10.009 -0.709 1
1 709 . 6 1 1 A 106 106 ASN HA H 106 5.220 5.368 -0.148 1
1 714 . 6 1 1 A 106 106 ASN CA C 106 51.630 51.484 0.146 1
1 715 . 6 1 1 A 106 106 ASN CB C 106 43.840 43.134 0.706 1
1 716 . 6 1 1 A 106 106 ASN N N 106 122.780 124.142 -1.362 1
1 718 . 6 1 1 A 107 107 ILE H H 107 9.050 8.662 0.388 1
1 719 . 6 1 1 A 107 107 ILE HA H 107 4.160 4.901 -0.741 1
1 729 . 6 1 1 A 107 107 ILE CA C 107 61.670 60.074 1.596 1
1 730 . 6 1 1 A 107 107 ILE CB C 107 36.140 39.890 -3.750 1
1 733 . 6 1 1 A 107 107 ILE N N 107 122.980 120.406 2.574 1
1 734 . 6 1 1 A 108 108 ALA H H 108 8.740 8.942 -0.202 1
1 735 . 6 1 1 A 108 108 ALA HA H 108 4.780 4.863 -0.083 1
1 739 . 6 1 1 A 108 108 ALA CA C 108 52.620 50.104 2.516 1
1 740 . 6 1 1 A 108 108 ALA CB C 108 19.570 22.542 -2.972 1
1 741 . 6 1 1 A 108 108 ALA N N 108 131.610 129.766 1.844 1
1 742 . 6 1 1 A 109 109 ARG HA H 109 4.390 4.212 0.178 1
1 746 . 6 1 1 A 109 109 ARG CA C 109 56.120 56.572 -0.452 1
1 747 . 6 1 1 A 109 109 ARG CB C 109 31.010 30.607 0.403 1
1 749 . 6 1 1 A 111 111 GLN HA H 111 4.630 4.525 0.105 1
1 754 . 6 1 1 A 111 111 GLN CA C 111 55.160 54.244 0.916 1
1 755 . 6 1 1 A 111 111 GLN CB C 111 32.900 29.137 3.763 1
1 757 . 6 1 1 A 112 112 PRO HA H 112 4.370 4.449 -0.079 1
1 761 . 6 1 1 A 112 112 PRO CA C 112 64.090 64.573 -0.483 1
1 762 . 6 1 1 A 112 112 PRO CB C 112 32.650 32.024 0.626 1
1 767 . 6 1 1 A 114 114 LEU H H 114 7.710 7.778 -0.068 1
1 768 . 6 1 1 A 114 114 LEU HA H 114 4.440 4.559 -0.119 1
1 777 . 6 1 1 A 114 114 LEU CB C 114 42.640 43.126 -0.486 1
1 780 . 6 1 1 A 114 114 LEU N N 114 123.050 119.703 3.347 1
1 781 . 6 1 1 A 115 115 ASP H H 115 8.440 8.507 -0.067 1
1 782 . 6 1 1 A 115 115 ASP HA H 115 4.610 4.640 -0.030 1
1 785 . 6 1 1 A 115 115 ASP CA C 115 54.620 55.616 -0.996 1
1 786 . 6 1 1 A 115 115 ASP CB C 115 40.720 39.032 1.688 1
1 787 . 6 1 1 A 115 115 ASP N N 115 119.520 114.892 4.628 1
1 788 . 6 1 1 A 116 116 ALA H H 116 8.060 8.326 -0.266 1
1 789 . 6 1 1 A 116 116 ALA HA H 116 4.320 4.419 -0.099 1
1 793 . 6 1 1 A 116 116 ALA CA C 116 53.080 54.807 -1.727 1
1 794 . 6 1 1 A 116 116 ALA CB C 116 19.000 17.930 1.070 1
1 795 . 6 1 1 A 116 116 ALA N N 116 123.460 113.400 10.060 1
1 796 . 6 1 1 A 117 117 ALA H H 117 8.110 7.677 0.433 1
1 797 . 6 1 1 A 117 117 ALA HA H 117 4.640 4.420 0.220 1
1 801 . 6 1 1 A 117 117 ALA CA C 117 52.600 51.575 1.025 1
1 802 . 6 1 1 A 117 117 ALA CB C 117 19.360 21.262 -1.902 1
1 803 . 6 1 1 A 117 117 ALA N N 117 121.130 115.511 5.619 1
1 804 . 6 1 1 A 118 118 THR H H 118 8.060 8.407 -0.347 1
1 805 . 6 1 1 A 118 118 THR HA H 118 4.430 5.244 -0.814 1
1 810 . 6 1 1 A 118 118 THR CA C 118 62.130 59.533 2.597 1
1 811 . 6 1 1 A 118 118 THR CB C 118 69.840 71.800 -1.960 1
1 813 . 6 1 1 A 118 118 THR N N 118 112.100 108.741 3.359 1
1 814 . 6 1 1 A 119 119 GLY H H 119 8.430 8.427 0.003 1
1 815 . 6 1 1 A 119 119 GLY N N 119 111.230 108.616 2.614 1
1 816 . 6 1 1 A 120 120 LYS H H 120 8.200 8.406 -0.206 1
1 817 . 6 1 1 A 120 120 LYS HA H 120 4.510 4.006 0.504 1
1 821 . 6 1 1 A 120 120 LYS CA C 120 56.110 58.540 -2.430 1
1 822 . 6 1 1 A 120 120 LYS CB C 120 33.270 32.277 0.993 1
1 823 . 6 1 1 A 120 120 LYS N N 120 121.180 119.824 1.356 1
1 17 . 7 1 1 A 37 37 ARG H H 37 8.370 7.739 0.631 1
1 18 . 7 1 1 A 37 37 ARG N N 37 121.030 119.651 1.379 1
1 19 . 7 1 1 A 38 38 LYS H H 38 8.150 8.657 -0.507 1
1 20 . 7 1 1 A 38 38 LYS HA H 38 4.750 4.555 0.195 1
1 25 . 7 1 1 A 38 38 LYS CA C 38 54.190 55.763 -1.573 1
1 26 . 7 1 1 A 38 38 LYS CB C 38 35.040 33.580 1.460 1
1 27 . 7 1 1 A 38 38 LYS N N 38 119.860 121.621 -1.761 1
1 28 . 7 1 1 A 39 39 GLY H H 39 8.710 8.206 0.504 1
1 29 . 7 1 1 A 39 39 GLY HA3 H 39 4.050 4.277 -0.227 1
1 30 . 7 1 1 A 39 39 GLY CA C 39 45.460 45.656 -0.196 1
1 31 . 7 1 1 A 39 39 GLY N N 39 107.990 108.705 -0.715 1
1 32 . 7 1 1 A 40 40 ASN H H 40 8.300 8.691 -0.391 1
1 33 . 7 1 1 A 40 40 ASN HA H 40 4.850 5.246 -0.396 1
1 38 . 7 1 1 A 40 40 ASN CA C 40 54.110 53.487 0.623 1
1 39 . 7 1 1 A 40 40 ASN CB C 40 37.840 41.722 -3.882 1
1 40 . 7 1 1 A 40 40 ASN N N 40 115.650 118.292 -2.642 1
1 42 . 7 1 1 A 41 41 THR HA H 41 5.400 5.167 0.233 1
1 47 . 7 1 1 A 41 41 THR CA C 41 63.410 62.351 1.059 1
1 48 . 7 1 1 A 41 41 THR CB C 41 69.930 70.182 -0.252 1
1 50 . 7 1 1 A 42 42 LEU H H 42 9.900 8.910 0.990 1
1 51 . 7 1 1 A 42 42 LEU HA H 42 5.090 4.999 0.091 1
1 61 . 7 1 1 A 42 42 LEU CA C 42 53.260 53.538 -0.278 1
1 62 . 7 1 1 A 42 42 LEU CB C 42 43.590 45.672 -2.082 1
1 66 . 7 1 1 A 42 42 LEU N N 42 127.870 123.968 3.902 1
1 67 . 7 1 1 A 43 43 TYR H H 43 9.190 8.867 0.323 1
1 68 . 7 1 1 A 43 43 TYR HA H 43 4.420 5.094 -0.674 1
1 71 . 7 1 1 A 43 43 TYR CB C 43 40.310 40.666 -0.356 1
1 72 . 7 1 1 A 43 43 TYR N N 43 124.140 124.638 -0.498 1
1 73 . 7 1 1 A 44 44 VAL H H 44 7.980 8.696 -0.716 1
1 74 . 7 1 1 A 44 44 VAL HA H 44 4.810 5.302 -0.492 1
1 82 . 7 1 1 A 44 44 VAL CA C 44 59.320 61.380 -2.060 1
1 83 . 7 1 1 A 44 44 VAL CB C 44 34.360 33.069 1.291 1
1 86 . 7 1 1 A 44 44 VAL N N 44 127.360 128.086 -0.726 1
1 87 . 7 1 1 A 45 45 TYR H H 45 9.020 8.664 0.356 1
1 88 . 7 1 1 A 45 45 TYR HA H 45 4.980 5.317 -0.337 1
1 94 . 7 1 1 A 45 45 TYR CA C 45 55.680 55.649 0.031 1
1 95 . 7 1 1 A 45 45 TYR CB C 45 42.210 42.297 -0.087 1
1 96 . 7 1 1 A 45 45 TYR N N 45 126.390 128.072 -1.682 1
1 97 . 7 1 1 A 46 46 GLY H H 46 7.510 7.354 0.156 1
1 98 . 7 1 1 A 46 46 GLY HA2 H 46 3.830 4.007 -0.177 1
1 99 . 7 1 1 A 46 46 GLY HA3 H 46 3.830 4.027 -0.197 1
1 100 . 7 1 1 A 46 46 GLY CA C 46 45.360 45.959 -0.599 1
1 101 . 7 1 1 A 46 46 GLY N N 46 114.220 111.244 2.976 1
1 102 . 7 1 1 A 47 47 GLU H H 47 8.750 8.649 0.101 1
1 103 . 7 1 1 A 47 47 GLU HA H 47 3.990 4.602 -0.612 1
1 108 . 7 1 1 A 47 47 GLU CA C 47 56.720 54.716 2.004 1
1 109 . 7 1 1 A 47 47 GLU CB C 47 30.460 32.599 -2.139 1
1 111 . 7 1 1 A 47 47 GLU N N 47 123.880 120.402 3.478 1
1 112 . 7 1 1 A 48 48 ASP H H 48 8.540 8.975 -0.435 1
1 113 . 7 1 1 A 48 48 ASP HA H 48 4.250 4.177 0.073 1
1 116 . 7 1 1 A 48 48 ASP CA C 48 55.210 54.801 0.409 1
1 117 . 7 1 1 A 48 48 ASP CB C 48 39.150 39.441 -0.291 1
1 118 . 7 1 1 A 48 48 ASP N N 48 117.200 122.270 -5.070 1
1 119 . 7 1 1 A 49 49 MET H H 49 8.190 7.982 0.208 1
1 120 . 7 1 1 A 49 49 MET HA H 49 4.120 4.656 -0.536 1
1 126 . 7 1 1 A 49 49 MET CA C 49 57.510 54.165 3.345 1
1 127 . 7 1 1 A 49 49 MET CB C 49 34.620 32.674 1.946 1
1 129 . 7 1 1 A 49 49 MET N N 49 114.560 118.528 -3.968 1
1 130 . 7 1 1 A 50 50 THR H H 50 6.510 8.419 -1.909 1
1 131 . 7 1 1 A 50 50 THR HA H 50 5.020 4.959 0.061 1
1 136 . 7 1 1 A 50 50 THR CA C 50 57.960 58.467 -0.507 1
1 137 . 7 1 1 A 50 50 THR CB C 50 70.150 69.692 0.458 1
1 139 . 7 1 1 A 50 50 THR N N 50 108.060 115.072 -7.012 1
1 140 . 7 1 1 A 51 51 PRO HA H 51 4.340 4.260 0.080 1
1 146 . 7 1 1 A 51 51 PRO CA C 51 65.790 65.673 0.117 1
1 147 . 7 1 1 A 51 51 PRO CB C 51 31.780 31.777 0.003 1
1 150 . 7 1 1 A 52 52 THR H H 52 7.640 7.809 -0.169 1
1 151 . 7 1 1 A 52 52 THR HA H 52 3.980 4.006 -0.026 1
1 156 . 7 1 1 A 52 52 THR CA C 52 66.160 65.538 0.622 1
1 157 . 7 1 1 A 52 52 THR CB C 52 68.430 68.549 -0.119 1
1 159 . 7 1 1 A 52 52 THR N N 52 111.520 111.726 -0.206 1
1 160 . 7 1 1 A 53 53 LEU H H 53 7.810 8.071 -0.261 1
1 161 . 7 1 1 A 53 53 LEU HA H 53 4.130 4.030 0.100 1
1 171 . 7 1 1 A 53 53 LEU CA C 53 58.360 58.440 -0.080 1
1 172 . 7 1 1 A 53 53 LEU CB C 53 42.970 41.673 1.297 1
1 176 . 7 1 1 A 53 53 LEU N N 53 125.410 121.495 3.915 1
1 177 . 7 1 1 A 54 54 LEU H H 54 7.840 8.185 -0.345 1
1 178 . 7 1 1 A 54 54 LEU HA H 54 4.260 4.051 0.209 1
1 188 . 7 1 1 A 54 54 LEU CA C 54 57.580 58.291 -0.711 1
1 189 . 7 1 1 A 54 54 LEU CB C 54 42.330 41.638 0.692 1
1 193 . 7 1 1 A 54 54 LEU N N 54 117.150 119.200 -2.050 1
1 194 . 7 1 1 A 55 55 ARG H H 55 9.020 8.558 0.462 1
1 195 . 7 1 1 A 55 55 ARG HA H 55 3.880 4.093 -0.213 1
1 202 . 7 1 1 A 55 55 ARG CA C 55 60.890 59.188 1.702 1
1 203 . 7 1 1 A 55 55 ARG CB C 55 29.580 29.782 -0.202 1
1 206 . 7 1 1 A 55 55 ARG N N 55 120.050 117.547 2.503 1
1 207 . 7 1 1 A 56 56 GLY H H 56 8.180 8.374 -0.194 1
1 208 . 7 1 1 A 56 56 GLY HA2 H 56 3.940 3.883 0.057 1
1 209 . 7 1 1 A 56 56 GLY HA3 H 56 4.100 3.896 0.204 1
1 210 . 7 1 1 A 56 56 GLY CA C 56 47.210 47.029 0.181 1
1 211 . 7 1 1 A 56 56 GLY N N 56 106.700 108.090 -1.390 1
1 212 . 7 1 1 A 57 57 ALA H H 57 7.830 8.298 -0.468 1
1 213 . 7 1 1 A 57 57 ALA HA H 57 4.360 4.193 0.167 1
1 217 . 7 1 1 A 57 57 ALA CA C 57 53.590 53.754 -0.164 1
1 218 . 7 1 1 A 57 57 ALA CB C 57 19.050 18.453 0.597 1
1 219 . 7 1 1 A 57 57 ALA N N 57 120.270 124.241 -3.971 1
1 220 . 7 1 1 A 58 58 PHE H H 58 8.600 8.357 0.243 1
1 221 . 7 1 1 A 58 58 PHE HA H 58 4.790 5.712 -0.922 1
1 227 . 7 1 1 A 58 58 PHE CA C 58 60.210 57.749 2.461 1
1 228 . 7 1 1 A 58 58 PHE CB C 58 38.390 39.692 -1.302 1
1 229 . 7 1 1 A 58 58 PHE N N 58 110.250 117.144 -6.894 1
1 230 . 7 1 1 A 59 59 SER H H 59 8.610 7.941 0.669 1
1 231 . 7 1 1 A 59 59 SER HA H 59 4.810 4.405 0.405 1
1 234 . 7 1 1 A 59 59 SER CA C 59 63.540 62.990 0.550 1
1 235 . 7 1 1 A 59 59 SER CB C 59 62.910 63.134 -0.224 1
1 236 . 7 1 1 A 59 59 SER N N 59 122.860 116.303 6.557 1
1 237 . 7 1 1 A 60 60 PRO HA H 60 4.280 4.310 -0.030 1
1 244 . 7 1 1 A 60 60 PRO CA C 60 65.680 65.593 0.087 1
1 245 . 7 1 1 A 60 60 PRO CB C 60 31.420 30.452 0.968 1
1 248 . 7 1 1 A 61 61 PHE H H 61 6.850 8.683 -1.833 1
1 249 . 7 1 1 A 61 61 PHE HA H 61 4.510 4.203 0.307 1
1 257 . 7 1 1 A 61 61 PHE CA C 61 58.310 60.430 -2.120 1
1 258 . 7 1 1 A 61 61 PHE CB C 61 38.920 38.769 0.151 1
1 259 . 7 1 1 A 61 61 PHE N N 61 109.700 116.838 -7.138 1
1 260 . 7 1 1 A 62 62 GLY H H 62 7.800 7.461 0.339 1
1 261 . 7 1 1 A 62 62 GLY HA2 H 62 4.090 3.898 0.192 1
1 262 . 7 1 1 A 62 62 GLY HA3 H 62 4.290 4.076 0.214 1
1 263 . 7 1 1 A 62 62 GLY CA C 62 45.290 45.673 -0.383 1
1 264 . 7 1 1 A 62 62 GLY N N 62 106.520 103.840 2.680 1
1 265 . 7 1 1 A 63 63 ASN H H 63 8.520 8.600 -0.080 1
1 266 . 7 1 1 A 63 63 ASN HA H 63 4.920 5.294 -0.374 1
1 271 . 7 1 1 A 63 63 ASN CA C 63 52.930 52.847 0.083 1
1 272 . 7 1 1 A 63 63 ASN CB C 63 38.630 40.050 -1.420 1
1 273 . 7 1 1 A 63 63 ASN N N 63 117.020 118.500 -1.480 1
1 275 . 7 1 1 A 64 64 ILE H H 64 8.750 8.969 -0.219 1
1 276 . 7 1 1 A 64 64 ILE HA H 64 4.100 4.976 -0.876 1
1 286 . 7 1 1 A 64 64 ILE CA C 64 61.940 60.327 1.613 1
1 287 . 7 1 1 A 64 64 ILE CB C 64 38.780 39.721 -0.941 1
1 291 . 7 1 1 A 64 64 ILE N N 64 127.930 124.826 3.104 1
1 292 . 7 1 1 A 65 65 ILE H H 65 8.910 8.556 0.354 1
1 293 . 7 1 1 A 65 65 ILE HA H 65 4.490 4.419 0.071 1
1 303 . 7 1 1 A 65 65 ILE CA C 65 61.310 61.309 0.001 1
1 304 . 7 1 1 A 65 65 ILE CB C 65 38.470 39.102 -0.632 1
1 308 . 7 1 1 A 65 65 ILE N N 65 124.530 121.344 3.186 1
1 309 . 7 1 1 A 66 66 ASP H H 66 7.520 7.944 -0.424 1
1 310 . 7 1 1 A 66 66 ASP HA H 66 4.700 5.068 -0.368 1
1 313 . 7 1 1 A 66 66 ASP CA C 66 55.520 53.699 1.821 1
1 314 . 7 1 1 A 66 66 ASP CB C 66 45.290 43.433 1.857 1
1 315 . 7 1 1 A 66 66 ASP N N 66 119.140 121.330 -2.190 1
1 316 . 7 1 1 A 67 67 LEU H H 67 8.230 8.966 -0.736 1
1 317 . 7 1 1 A 67 67 LEU HA H 67 4.980 5.005 -0.025 1
1 326 . 7 1 1 A 67 67 LEU CA C 67 54.980 53.627 1.353 1
1 327 . 7 1 1 A 67 67 LEU CB C 67 44.440 44.423 0.017 1
1 330 . 7 1 1 A 67 67 LEU N N 67 127.890 128.715 -0.825 1
1 331 . 7 1 1 A 68 68 SER H H 68 8.810 9.222 -0.412 1
1 332 . 7 1 1 A 68 68 SER HA H 68 4.970 5.441 -0.471 1
1 335 . 7 1 1 A 68 68 SER CA C 68 57.170 57.137 0.033 1
1 336 . 7 1 1 A 68 68 SER CB C 68 65.320 66.016 -0.696 1
1 337 . 7 1 1 A 68 68 SER N N 68 122.560 124.810 -2.250 1
1 338 . 7 1 1 A 69 69 MET H H 69 9.050 8.945 0.105 1
1 339 . 7 1 1 A 69 69 MET HA H 69 4.740 5.239 -0.499 1
1 345 . 7 1 1 A 69 69 MET CA C 69 54.520 54.092 0.428 1
1 348 . 7 1 1 A 69 69 MET N N 69 122.420 123.309 -0.889 1
1 349 . 7 1 1 A 70 70 ASP H H 70 8.620 8.709 -0.089 1
1 350 . 7 1 1 A 70 70 ASP HA H 70 5.140 5.260 -0.120 1
1 353 . 7 1 1 A 70 70 ASP CA C 70 51.410 50.642 0.768 1
1 354 . 7 1 1 A 70 70 ASP CB C 70 40.930 42.494 -1.564 1
1 355 . 7 1 1 A 70 70 ASP N N 70 120.620 122.244 -1.624 1
1 356 . 7 1 1 A 71 71 PRO HA H 71 4.760 4.409 0.351 1
1 359 . 7 1 1 A 71 71 PRO CA C 71 66.380 64.397 1.983 1
1 361 . 7 1 1 A 72 72 PRO HA H 72 4.520 4.376 0.144 1
1 368 . 7 1 1 A 72 72 PRO CA C 72 65.750 65.142 0.608 1
1 369 . 7 1 1 A 72 72 PRO CB C 72 31.570 31.463 0.107 1
1 371 . 7 1 1 A 73 73 ARG H H 73 7.360 7.523 -0.163 1
1 372 . 7 1 1 A 73 73 ARG HA H 73 4.570 4.570 0.000 1
1 378 . 7 1 1 A 73 73 ARG CA C 73 55.160 55.140 0.020 1
1 379 . 7 1 1 A 73 73 ARG CB C 73 29.000 30.948 -1.948 1
1 382 . 7 1 1 A 73 73 ARG N N 73 114.560 116.193 -1.633 1
1 383 . 7 1 1 A 74 74 ASN H H 74 8.440 7.990 0.450 1
1 384 . 7 1 1 A 74 74 ASN HA H 74 4.270 4.139 0.131 1
1 389 . 7 1 1 A 74 74 ASN CA C 74 53.830 54.567 -0.737 1
1 390 . 7 1 1 A 74 74 ASN CB C 74 37.500 36.505 0.995 1
1 391 . 7 1 1 A 74 74 ASN N N 74 115.460 115.108 0.352 1
1 393 . 7 1 1 A 75 75 CYS H H 75 7.270 7.480 -0.210 1
1 394 . 7 1 1 A 75 75 CYS HA H 75 5.730 5.217 0.513 1
1 396 . 7 1 1 A 75 75 CYS CA C 75 55.420 57.288 -1.868 1
1 397 . 7 1 1 A 75 75 CYS CB C 75 32.640 30.838 1.802 1
1 398 . 7 1 1 A 75 75 CYS N N 75 127.180 113.639 13.541 1
1 399 . 7 1 1 A 76 76 ALA H H 76 8.590 8.489 0.101 1
1 403 . 7 1 1 A 76 76 ALA CB C 76 24.400 22.321 2.079 1
1 404 . 7 1 1 A 76 76 ALA N N 76 122.120 125.414 -3.294 1
1 405 . 7 1 1 A 77 77 PHE H H 77 8.780 9.774 -0.994 1
1 406 . 7 1 1 A 77 77 PHE HA H 77 5.620 5.619 0.001 1
1 407 . 7 1 1 A 77 77 PHE CA C 77 55.850 56.618 -0.768 1
1 408 . 7 1 1 A 77 77 PHE N N 77 115.390 117.754 -2.364 1
1 409 . 7 1 1 A 78 78 VAL H H 78 8.580 8.614 -0.034 1
1 410 . 7 1 1 A 78 78 VAL HA H 78 4.300 4.634 -0.334 1
1 418 . 7 1 1 A 78 78 VAL CA C 78 60.960 60.427 0.533 1
1 419 . 7 1 1 A 78 78 VAL CB C 78 34.360 34.081 0.279 1
1 422 . 7 1 1 A 78 78 VAL N N 78 126.440 122.581 3.859 1
1 423 . 7 1 1 A 79 79 THR H H 79 8.960 8.585 0.375 1
1 424 . 7 1 1 A 79 79 THR HA H 79 5.330 5.451 -0.121 1
1 429 . 7 1 1 A 79 79 THR CA C 79 61.940 61.482 0.458 1
1 430 . 7 1 1 A 79 79 THR CB C 79 69.910 70.430 -0.520 1
1 432 . 7 1 1 A 79 79 THR N N 79 123.990 123.601 0.389 1
1 433 . 7 1 1 A 80 80 TYR H H 80 8.880 10.103 -1.223 1
1 434 . 7 1 1 A 80 80 TYR HA H 80 5.400 5.038 0.362 1
1 437 . 7 1 1 A 80 80 TYR CA C 80 57.660 56.705 0.955 1
1 438 . 7 1 1 A 80 80 TYR CB C 80 42.220 40.893 1.327 1
1 439 . 7 1 1 A 80 80 TYR N N 80 126.670 125.637 1.033 1
1 440 . 7 1 1 A 81 81 GLU H H 81 8.490 8.715 -0.225 1
1 441 . 7 1 1 A 81 81 GLU HA H 81 4.110 4.064 0.046 1
1 446 . 7 1 1 A 81 81 GLU CA C 81 59.290 59.797 -0.507 1
1 447 . 7 1 1 A 81 81 GLU CB C 81 31.210 29.743 1.467 1
1 449 . 7 1 1 A 81 81 GLU N N 81 119.690 126.132 -6.442 1
1 450 . 7 1 1 A 82 82 LYS H H 82 8.460 8.095 0.365 1
1 451 . 7 1 1 A 82 82 LYS HA H 82 5.020 4.769 0.251 1
1 457 . 7 1 1 A 82 82 LYS CA C 82 54.140 54.635 -0.495 1
1 458 . 7 1 1 A 82 82 LYS CB C 82 34.420 35.763 -1.343 1
1 462 . 7 1 1 A 82 82 LYS N N 82 113.920 116.913 -2.993 1
1 463 . 7 1 1 A 83 83 MET H H 83 9.100 8.980 0.120 1
1 464 . 7 1 1 A 83 83 MET HA H 83 4.070 4.317 -0.247 1
1 468 . 7 1 1 A 83 83 MET CA C 83 59.570 57.625 1.945 1
1 469 . 7 1 1 A 83 83 MET CB C 83 32.420 31.505 0.915 1
1 471 . 7 1 1 A 83 83 MET N N 83 122.530 121.971 0.559 1
1 472 . 7 1 1 A 84 84 GLU H H 84 9.690 7.889 1.801 1
1 473 . 7 1 1 A 84 84 GLU HA H 84 4.240 4.072 0.168 1
1 477 . 7 1 1 A 84 84 GLU CA C 84 60.040 59.119 0.921 1
1 478 . 7 1 1 A 84 84 GLU CB C 84 28.640 29.769 -1.129 1
1 480 . 7 1 1 A 84 84 GLU N N 84 117.940 120.048 -2.108 1
1 481 . 7 1 1 A 85 85 SER H H 85 7.110 8.153 -1.043 1
1 482 . 7 1 1 A 85 85 SER HA H 85 4.130 4.037 0.093 1
1 485 . 7 1 1 A 85 85 SER CA C 85 61.840 61.554 0.286 1
1 486 . 7 1 1 A 85 85 SER CB C 85 62.400 62.507 -0.107 1
1 487 . 7 1 1 A 85 85 SER N N 85 115.500 117.087 -1.587 1
1 488 . 7 1 1 A 86 86 ALA H H 86 6.860 7.366 -0.506 1
1 489 . 7 1 1 A 86 86 ALA HA H 86 4.080 4.366 -0.286 1
1 493 . 7 1 1 A 86 86 ALA CA C 86 55.210 54.904 0.306 1
1 494 . 7 1 1 A 86 86 ALA CB C 86 18.070 18.483 -0.413 1
1 495 . 7 1 1 A 86 86 ALA N N 86 122.760 123.310 -0.550 1
1 496 . 7 1 1 A 87 87 ASP H H 87 7.680 8.427 -0.747 1
1 497 . 7 1 1 A 87 87 ASP HA H 87 4.390 4.389 0.001 1
1 500 . 7 1 1 A 87 87 ASP CA C 87 57.470 57.054 0.416 1
1 501 . 7 1 1 A 87 87 ASP CB C 87 40.850 40.173 0.677 1
1 502 . 7 1 1 A 87 87 ASP N N 87 115.980 119.013 -3.033 1
1 503 . 7 1 1 A 88 88 GLN H H 88 7.670 7.984 -0.314 1
1 504 . 7 1 1 A 88 88 GLN HA H 88 4.040 4.074 -0.034 1
1 511 . 7 1 1 A 88 88 GLN CA C 88 58.500 58.793 -0.293 1
1 512 . 7 1 1 A 88 88 GLN CB C 88 28.270 28.715 -0.445 1
1 514 . 7 1 1 A 88 88 GLN N N 88 119.920 120.037 -0.117 1
1 516 . 7 1 1 A 89 89 ALA H H 89 7.950 7.483 0.467 1
1 517 . 7 1 1 A 89 89 ALA HA H 89 2.800 2.633 0.167 1
1 521 . 7 1 1 A 89 89 ALA CA C 89 54.930 54.424 0.506 1
1 522 . 7 1 1 A 89 89 ALA CB C 89 19.340 17.861 1.479 1
1 523 . 7 1 1 A 89 89 ALA N N 89 121.330 121.775 -0.445 1
1 524 . 7 1 1 A 90 90 VAL H H 90 8.030 8.278 -0.248 1
1 525 . 7 1 1 A 90 90 VAL HA H 90 3.370 3.576 -0.206 1
1 533 . 7 1 1 A 90 90 VAL CA C 90 67.090 66.395 0.695 1
1 534 . 7 1 1 A 90 90 VAL CB C 90 32.180 31.416 0.764 1
1 537 . 7 1 1 A 90 90 VAL N N 90 116.630 118.564 -1.934 1
1 538 . 7 1 1 A 91 91 ALA H H 91 7.350 7.670 -0.320 1
1 539 . 7 1 1 A 91 91 ALA HA H 91 4.130 4.067 0.063 1
1 543 . 7 1 1 A 91 91 ALA CA C 91 54.810 55.405 -0.595 1
1 544 . 7 1 1 A 91 91 ALA CB C 91 18.330 18.661 -0.331 1
1 545 . 7 1 1 A 91 91 ALA N N 91 119.620 121.771 -2.151 1
1 546 . 7 1 1 A 92 92 GLU H H 92 7.960 8.272 -0.312 1
1 547 . 7 1 1 A 92 92 GLU HA H 92 4.360 4.021 0.339 1
1 552 . 7 1 1 A 92 92 GLU CA C 92 57.930 59.597 -1.667 1
1 553 . 7 1 1 A 92 92 GLU CB C 92 30.980 29.959 1.021 1
1 555 . 7 1 1 A 92 92 GLU N N 92 113.770 117.940 -4.170 1
1 556 . 7 1 1 A 93 93 LEU H H 93 8.310 8.619 -0.309 1
1 557 . 7 1 1 A 93 93 LEU HA H 93 4.620 4.118 0.502 1
1 567 . 7 1 1 A 93 93 LEU CA C 93 55.810 57.186 -1.376 1
1 568 . 7 1 1 A 93 93 LEU CB C 93 44.130 41.710 2.420 1
1 572 . 7 1 1 A 93 93 LEU N N 93 114.550 119.425 -4.875 1
1 573 . 7 1 1 A 94 94 ASN H H 94 7.910 7.881 0.029 1
1 574 . 7 1 1 A 94 94 ASN HA H 94 4.430 4.348 0.082 1
1 577 . 7 1 1 A 94 94 ASN CA C 94 56.690 54.963 1.727 1
1 578 . 7 1 1 A 94 94 ASN N N 94 116.840 117.540 -0.700 1
1 580 . 7 1 1 A 95 95 GLY H H 95 8.890 8.761 0.129 1
1 581 . 7 1 1 A 95 95 GLY HA2 H 95 3.960 3.902 0.058 1
1 582 . 7 1 1 A 95 95 GLY HA3 H 95 4.290 3.905 0.385 1
1 583 . 7 1 1 A 95 95 GLY CA C 95 46.090 46.229 -0.139 1
1 584 . 7 1 1 A 95 95 GLY N N 95 116.350 113.381 2.969 1
1 585 . 7 1 1 A 96 96 THR H H 96 7.860 7.643 0.217 1
1 586 . 7 1 1 A 96 96 THR HA H 96 4.660 4.978 -0.318 1
1 591 . 7 1 1 A 96 96 THR CA C 96 60.880 59.364 1.516 1
1 592 . 7 1 1 A 96 96 THR CB C 96 71.090 72.206 -1.116 1
1 594 . 7 1 1 A 96 96 THR N N 96 113.920 110.642 3.278 1
1 595 . 7 1 1 A 97 97 GLN H H 97 8.360 8.702 -0.342 1
1 596 . 7 1 1 A 97 97 GLN HA H 97 5.210 5.038 0.172 1
1 602 . 7 1 1 A 97 97 GLN CA C 97 54.170 54.242 -0.072 1
1 603 . 7 1 1 A 97 97 GLN CB C 97 30.470 32.693 -2.223 1
1 605 . 7 1 1 A 97 97 GLN N N 97 119.550 120.561 -1.011 1
1 607 . 7 1 1 A 98 98 VAL H H 98 8.900 9.115 -0.215 1
1 608 . 7 1 1 A 98 98 VAL HA H 98 4.200 4.509 -0.309 1
1 616 . 7 1 1 A 98 98 VAL CA C 98 61.350 60.599 0.751 1
1 617 . 7 1 1 A 98 98 VAL CB C 98 33.600 33.913 -0.313 1
1 620 . 7 1 1 A 98 98 VAL N N 98 127.260 122.660 4.600 1
1 621 . 7 1 1 A 99 99 GLU H H 99 9.160 8.572 0.588 1
1 622 . 7 1 1 A 99 99 GLU HA H 99 3.820 4.080 -0.260 1
1 625 . 7 1 1 A 99 99 GLU CA C 99 57.950 59.242 -1.292 1
1 626 . 7 1 1 A 99 99 GLU CB C 99 27.110 29.683 -2.573 1
1 628 . 7 1 1 A 99 99 GLU N N 99 124.200 123.586 0.614 1
1 629 . 7 1 1 A 100 100 SER H H 100 8.330 7.920 0.410 1
1 630 . 7 1 1 A 100 100 SER HA H 100 4.280 4.707 -0.427 1
1 633 . 7 1 1 A 100 100 SER CA C 100 59.780 57.580 2.200 1
1 634 . 7 1 1 A 100 100 SER CB C 100 63.300 64.250 -0.950 1
1 635 . 7 1 1 A 100 100 SER N N 100 111.660 113.195 -1.535 1
1 636 . 7 1 1 A 101 101 VAL H H 101 8.410 7.617 0.793 1
1 637 . 7 1 1 A 101 101 VAL HA H 101 4.210 4.840 -0.630 1
1 645 . 7 1 1 A 101 101 VAL CA C 101 62.080 60.534 1.546 1
1 646 . 7 1 1 A 101 101 VAL CB C 101 33.200 36.468 -3.268 1
1 649 . 7 1 1 A 101 101 VAL N N 101 124.550 121.493 3.057 1
1 650 . 7 1 1 A 102 102 GLN H H 102 8.510 8.658 -0.148 1
1 651 . 7 1 1 A 102 102 GLN HA H 102 4.590 4.907 -0.317 1
1 658 . 7 1 1 A 102 102 GLN CA C 102 55.090 55.018 0.072 1
1 659 . 7 1 1 A 102 102 GLN CB C 102 28.620 31.242 -2.622 1
1 661 . 7 1 1 A 102 102 GLN N N 102 127.320 125.315 2.005 1
1 663 . 7 1 1 A 103 103 LEU H H 103 8.710 8.967 -0.257 1
1 664 . 7 1 1 A 103 103 LEU HA H 103 5.050 5.178 -0.128 1
1 674 . 7 1 1 A 103 103 LEU CA C 103 54.740 53.356 1.384 1
1 675 . 7 1 1 A 103 103 LEU CB C 103 44.820 44.512 0.308 1
1 679 . 7 1 1 A 103 103 LEU N N 103 126.610 124.005 2.605 1
1 680 . 7 1 1 A 104 104 LYS H H 104 8.690 8.835 -0.145 1
1 681 . 7 1 1 A 104 104 LYS HA H 104 5.030 5.097 -0.067 1
1 688 . 7 1 1 A 104 104 LYS CA C 104 55.480 54.806 0.674 1
1 689 . 7 1 1 A 104 104 LYS CB C 104 34.520 35.507 -0.987 1
1 693 . 7 1 1 A 104 104 LYS N N 104 124.080 122.995 1.085 1
1 694 . 7 1 1 A 105 105 VAL H H 105 9.050 8.705 0.345 1
1 695 . 7 1 1 A 105 105 VAL HA H 105 5.190 5.075 0.115 1
1 703 . 7 1 1 A 105 105 VAL CA C 105 60.840 60.614 0.226 1
1 704 . 7 1 1 A 105 105 VAL CB C 105 35.660 34.880 0.780 1
1 707 . 7 1 1 A 105 105 VAL N N 105 123.920 122.960 0.960 1
1 708 . 7 1 1 A 106 106 ASN H H 106 9.300 8.702 0.598 1
1 709 . 7 1 1 A 106 106 ASN HA H 106 5.220 5.273 -0.053 1
1 714 . 7 1 1 A 106 106 ASN CA C 106 51.630 51.935 -0.305 1
1 715 . 7 1 1 A 106 106 ASN CB C 106 43.840 42.782 1.058 1
1 716 . 7 1 1 A 106 106 ASN N N 106 122.780 122.092 0.688 1
1 718 . 7 1 1 A 107 107 ILE H H 107 9.050 8.660 0.390 1
1 719 . 7 1 1 A 107 107 ILE HA H 107 4.160 4.979 -0.819 1
1 729 . 7 1 1 A 107 107 ILE CA C 107 61.670 59.919 1.751 1
1 730 . 7 1 1 A 107 107 ILE CB C 107 36.140 40.644 -4.504 1
1 733 . 7 1 1 A 107 107 ILE N N 107 122.980 120.770 2.210 1
1 734 . 7 1 1 A 108 108 ALA H H 108 8.740 8.391 0.349 1
1 735 . 7 1 1 A 108 108 ALA HA H 108 4.780 4.898 -0.118 1
1 739 . 7 1 1 A 108 108 ALA CA C 108 52.620 50.171 2.449 1
1 740 . 7 1 1 A 108 108 ALA CB C 108 19.570 22.613 -3.043 1
1 741 . 7 1 1 A 108 108 ALA N N 108 131.610 129.542 2.068 1
1 742 . 7 1 1 A 109 109 ARG HA H 109 4.390 4.509 -0.119 1
1 746 . 7 1 1 A 109 109 ARG CA C 109 56.120 55.915 0.205 1
1 747 . 7 1 1 A 109 109 ARG CB C 109 31.010 30.341 0.669 1
1 749 . 7 1 1 A 111 111 GLN HA H 111 4.630 4.001 0.629 1
1 754 . 7 1 1 A 111 111 GLN CA C 111 55.160 56.610 -1.450 1
1 755 . 7 1 1 A 111 111 GLN CB C 111 32.900 27.249 5.651 1
1 757 . 7 1 1 A 112 112 PRO HA H 112 4.370 4.480 -0.110 1
1 761 . 7 1 1 A 112 112 PRO CA C 112 64.090 64.662 -0.572 1
1 762 . 7 1 1 A 112 112 PRO CB C 112 32.650 31.666 0.984 1
1 767 . 7 1 1 A 114 114 LEU H H 114 7.710 7.873 -0.163 1
1 768 . 7 1 1 A 114 114 LEU HA H 114 4.440 4.570 -0.130 1
1 777 . 7 1 1 A 114 114 LEU CB C 114 42.640 43.380 -0.740 1
1 780 . 7 1 1 A 114 114 LEU N N 114 123.050 119.448 3.602 1
1 781 . 7 1 1 A 115 115 ASP H H 115 8.440 8.364 0.076 1
1 782 . 7 1 1 A 115 115 ASP HA H 115 4.610 4.275 0.335 1
1 785 . 7 1 1 A 115 115 ASP CA C 115 54.620 55.602 -0.982 1
1 786 . 7 1 1 A 115 115 ASP CB C 115 40.720 38.993 1.727 1
1 787 . 7 1 1 A 115 115 ASP N N 115 119.520 115.972 3.548 1
1 788 . 7 1 1 A 116 116 ALA H H 116 8.060 8.381 -0.321 1
1 789 . 7 1 1 A 116 116 ALA HA H 116 4.320 3.923 0.397 1
1 793 . 7 1 1 A 116 116 ALA CA C 116 53.080 54.809 -1.729 1
1 794 . 7 1 1 A 116 116 ALA CB C 116 19.000 18.011 0.989 1
1 795 . 7 1 1 A 116 116 ALA N N 116 123.460 113.326 10.134 1
1 796 . 7 1 1 A 117 117 ALA H H 117 8.110 7.801 0.309 1
1 797 . 7 1 1 A 117 117 ALA HA H 117 4.640 4.635 0.005 1
1 801 . 7 1 1 A 117 117 ALA CA C 117 52.600 51.723 0.877 1
1 802 . 7 1 1 A 117 117 ALA CB C 117 19.360 22.946 -3.586 1
1 803 . 7 1 1 A 117 117 ALA N N 117 121.130 116.197 4.933 1
1 804 . 7 1 1 A 118 118 THR H H 118 8.060 8.561 -0.501 1
1 805 . 7 1 1 A 118 118 THR HA H 118 4.430 5.119 -0.689 1
1 810 . 7 1 1 A 118 118 THR CA C 118 62.130 59.481 2.649 1
1 811 . 7 1 1 A 118 118 THR CB C 118 69.840 71.658 -1.818 1
1 813 . 7 1 1 A 118 118 THR N N 118 112.100 111.013 1.087 1
1 814 . 7 1 1 A 119 119 GLY H H 119 8.430 8.452 -0.022 1
1 815 . 7 1 1 A 119 119 GLY N N 119 111.230 108.497 2.733 1
1 816 . 7 1 1 A 120 120 LYS H H 120 8.200 8.417 -0.217 1
1 817 . 7 1 1 A 120 120 LYS HA H 120 4.510 4.420 0.090 1
1 821 . 7 1 1 A 120 120 LYS CA C 120 56.110 56.281 -0.171 1
1 822 . 7 1 1 A 120 120 LYS CB C 120 33.270 33.158 0.112 1
1 823 . 7 1 1 A 120 120 LYS N N 120 121.180 121.867 -0.687 1
1 17 . 8 1 1 A 37 37 ARG H H 37 8.370 8.504 -0.134 1
1 18 . 8 1 1 A 37 37 ARG N N 37 121.030 121.216 -0.186 1
1 19 . 8 1 1 A 38 38 LYS H H 38 8.150 8.540 -0.390 1
1 20 . 8 1 1 A 38 38 LYS HA H 38 4.750 4.690 0.060 1
1 25 . 8 1 1 A 38 38 LYS CA C 38 54.190 56.684 -2.494 1
1 26 . 8 1 1 A 38 38 LYS CB C 38 35.040 33.270 1.770 1
1 27 . 8 1 1 A 38 38 LYS N N 38 119.860 121.529 -1.669 1
1 28 . 8 1 1 A 39 39 GLY H H 39 8.710 8.673 0.037 1
1 29 . 8 1 1 A 39 39 GLY HA3 H 39 4.050 4.242 -0.192 1
1 30 . 8 1 1 A 39 39 GLY CA C 39 45.460 45.654 -0.194 1
1 31 . 8 1 1 A 39 39 GLY N N 39 107.990 108.760 -0.770 1
1 32 . 8 1 1 A 40 40 ASN H H 40 8.300 9.939 -1.639 1
1 33 . 8 1 1 A 40 40 ASN HA H 40 4.850 5.051 -0.201 1
1 38 . 8 1 1 A 40 40 ASN CA C 40 54.110 53.052 1.058 1
1 39 . 8 1 1 A 40 40 ASN CB C 40 37.840 39.339 -1.499 1
1 40 . 8 1 1 A 40 40 ASN N N 40 115.650 123.744 -8.094 1
1 42 . 8 1 1 A 41 41 THR HA H 41 5.400 5.115 0.285 1
1 47 . 8 1 1 A 41 41 THR CA C 41 63.410 62.493 0.917 1
1 48 . 8 1 1 A 41 41 THR CB C 41 69.930 70.072 -0.142 1
1 50 . 8 1 1 A 42 42 LEU H H 42 9.900 8.735 1.165 1
1 51 . 8 1 1 A 42 42 LEU HA H 42 5.090 5.177 -0.087 1
1 61 . 8 1 1 A 42 42 LEU CA C 42 53.260 53.613 -0.353 1
1 62 . 8 1 1 A 42 42 LEU CB C 42 43.590 45.419 -1.829 1
1 66 . 8 1 1 A 42 42 LEU N N 42 127.870 124.531 3.339 1
1 67 . 8 1 1 A 43 43 TYR H H 43 9.190 9.131 0.059 1
1 68 . 8 1 1 A 43 43 TYR HA H 43 4.420 5.058 -0.638 1
1 71 . 8 1 1 A 43 43 TYR CB C 43 40.310 40.679 -0.369 1
1 72 . 8 1 1 A 43 43 TYR N N 43 124.140 124.639 -0.499 1
1 73 . 8 1 1 A 44 44 VAL H H 44 7.980 8.798 -0.818 1
1 74 . 8 1 1 A 44 44 VAL HA H 44 4.810 4.934 -0.124 1
1 82 . 8 1 1 A 44 44 VAL CA C 44 59.320 61.205 -1.885 1
1 83 . 8 1 1 A 44 44 VAL CB C 44 34.360 33.072 1.288 1
1 86 . 8 1 1 A 44 44 VAL N N 44 127.360 127.800 -0.440 1
1 87 . 8 1 1 A 45 45 TYR H H 45 9.020 8.612 0.408 1
1 88 . 8 1 1 A 45 45 TYR HA H 45 4.980 5.317 -0.337 1
1 94 . 8 1 1 A 45 45 TYR CA C 45 55.680 55.455 0.225 1
1 95 . 8 1 1 A 45 45 TYR CB C 45 42.210 41.731 0.479 1
1 96 . 8 1 1 A 45 45 TYR N N 45 126.390 128.427 -2.037 1
1 97 . 8 1 1 A 46 46 GLY H H 46 7.510 7.588 -0.078 1
1 98 . 8 1 1 A 46 46 GLY HA2 H 46 3.830 3.942 -0.112 1
1 99 . 8 1 1 A 46 46 GLY HA3 H 46 3.830 4.002 -0.172 1
1 100 . 8 1 1 A 46 46 GLY CA C 46 45.360 45.632 -0.272 1
1 101 . 8 1 1 A 46 46 GLY N N 46 114.220 111.599 2.621 1
1 102 . 8 1 1 A 47 47 GLU H H 47 8.750 8.665 0.085 1
1 103 . 8 1 1 A 47 47 GLU HA H 47 3.990 4.634 -0.644 1
1 108 . 8 1 1 A 47 47 GLU CA C 47 56.720 54.573 2.147 1
1 109 . 8 1 1 A 47 47 GLU CB C 47 30.460 32.656 -2.196 1
1 111 . 8 1 1 A 47 47 GLU N N 47 123.880 119.480 4.400 1
1 112 . 8 1 1 A 48 48 ASP H H 48 8.540 8.646 -0.106 1
1 113 . 8 1 1 A 48 48 ASP HA H 48 4.250 4.061 0.189 1
1 116 . 8 1 1 A 48 48 ASP CA C 48 55.210 55.078 0.132 1
1 117 . 8 1 1 A 48 48 ASP CB C 48 39.150 39.437 -0.287 1
1 118 . 8 1 1 A 48 48 ASP N N 48 117.200 117.953 -0.753 1
1 119 . 8 1 1 A 49 49 MET H H 49 8.190 7.761 0.429 1
1 120 . 8 1 1 A 49 49 MET HA H 49 4.120 4.927 -0.807 1
1 126 . 8 1 1 A 49 49 MET CA C 49 57.510 54.109 3.401 1
1 127 . 8 1 1 A 49 49 MET CB C 49 34.620 34.164 0.456 1
1 129 . 8 1 1 A 49 49 MET N N 49 114.560 117.344 -2.784 1
1 130 . 8 1 1 A 50 50 THR H H 50 6.510 8.517 -2.007 1
1 131 . 8 1 1 A 50 50 THR HA H 50 5.020 4.913 0.107 1
1 136 . 8 1 1 A 50 50 THR CA C 50 57.960 58.399 -0.439 1
1 137 . 8 1 1 A 50 50 THR CB C 50 70.150 69.706 0.444 1
1 139 . 8 1 1 A 50 50 THR N N 50 108.060 114.750 -6.690 1
1 140 . 8 1 1 A 51 51 PRO HA H 51 4.340 4.257 0.083 1
1 146 . 8 1 1 A 51 51 PRO CA C 51 65.790 65.757 0.033 1
1 147 . 8 1 1 A 51 51 PRO CB C 51 31.780 31.680 0.100 1
1 150 . 8 1 1 A 52 52 THR H H 52 7.640 7.844 -0.204 1
1 151 . 8 1 1 A 52 52 THR HA H 52 3.980 3.930 0.050 1
1 156 . 8 1 1 A 52 52 THR CA C 52 66.160 65.904 0.256 1
1 157 . 8 1 1 A 52 52 THR CB C 52 68.430 68.694 -0.264 1
1 159 . 8 1 1 A 52 52 THR N N 52 111.520 111.507 0.013 1
1 160 . 8 1 1 A 53 53 LEU H H 53 7.810 8.009 -0.199 1
1 161 . 8 1 1 A 53 53 LEU HA H 53 4.130 4.061 0.069 1
1 171 . 8 1 1 A 53 53 LEU CA C 53 58.360 58.325 0.035 1
1 172 . 8 1 1 A 53 53 LEU CB C 53 42.970 41.520 1.450 1
1 176 . 8 1 1 A 53 53 LEU N N 53 125.410 121.158 4.252 1
1 177 . 8 1 1 A 54 54 LEU H H 54 7.840 8.144 -0.304 1
1 178 . 8 1 1 A 54 54 LEU HA H 54 4.260 4.008 0.252 1
1 188 . 8 1 1 A 54 54 LEU CA C 54 57.580 58.304 -0.724 1
1 189 . 8 1 1 A 54 54 LEU CB C 54 42.330 41.539 0.791 1
1 193 . 8 1 1 A 54 54 LEU N N 54 117.150 118.721 -1.571 1
1 194 . 8 1 1 A 55 55 ARG H H 55 9.020 8.742 0.278 1
1 195 . 8 1 1 A 55 55 ARG HA H 55 3.880 4.146 -0.266 1
1 202 . 8 1 1 A 55 55 ARG CA C 55 60.890 59.210 1.680 1
1 203 . 8 1 1 A 55 55 ARG CB C 55 29.580 29.880 -0.300 1
1 206 . 8 1 1 A 55 55 ARG N N 55 120.050 117.779 2.271 1
1 207 . 8 1 1 A 56 56 GLY H H 56 8.180 8.195 -0.015 1
1 208 . 8 1 1 A 56 56 GLY HA2 H 56 3.940 3.906 0.034 1
1 209 . 8 1 1 A 56 56 GLY HA3 H 56 4.100 3.925 0.175 1
1 210 . 8 1 1 A 56 56 GLY CA C 56 47.210 47.102 0.108 1
1 211 . 8 1 1 A 56 56 GLY N N 56 106.700 108.120 -1.420 1
1 212 . 8 1 1 A 57 57 ALA H H 57 7.830 7.858 -0.028 1
1 213 . 8 1 1 A 57 57 ALA HA H 57 4.360 4.057 0.303 1
1 217 . 8 1 1 A 57 57 ALA CA C 57 53.590 54.425 -0.835 1
1 218 . 8 1 1 A 57 57 ALA CB C 57 19.050 18.283 0.767 1
1 219 . 8 1 1 A 57 57 ALA N N 57 120.270 124.832 -4.562 1
1 220 . 8 1 1 A 58 58 PHE H H 58 8.600 8.355 0.245 1
1 221 . 8 1 1 A 58 58 PHE HA H 58 4.790 5.411 -0.621 1
1 227 . 8 1 1 A 58 58 PHE CA C 58 60.210 57.593 2.617 1
1 228 . 8 1 1 A 58 58 PHE CB C 58 38.390 39.332 -0.942 1
1 229 . 8 1 1 A 58 58 PHE N N 58 110.250 116.214 -5.964 1
1 230 . 8 1 1 A 59 59 SER H H 59 8.610 8.000 0.610 1
1 231 . 8 1 1 A 59 59 SER HA H 59 4.810 4.418 0.392 1
1 234 . 8 1 1 A 59 59 SER CA C 59 63.540 62.978 0.562 1
1 235 . 8 1 1 A 59 59 SER CB C 59 62.910 62.620 0.290 1
1 236 . 8 1 1 A 59 59 SER N N 59 122.860 116.643 6.217 1
1 237 . 8 1 1 A 60 60 PRO HA H 60 4.280 4.352 -0.072 1
1 244 . 8 1 1 A 60 60 PRO CA C 60 65.680 65.515 0.165 1
1 245 . 8 1 1 A 60 60 PRO CB C 60 31.420 30.986 0.434 1
1 248 . 8 1 1 A 61 61 PHE H H 61 6.850 8.732 -1.882 1
1 249 . 8 1 1 A 61 61 PHE HA H 61 4.510 4.525 -0.015 1
1 257 . 8 1 1 A 61 61 PHE CA C 61 58.310 61.053 -2.743 1
1 258 . 8 1 1 A 61 61 PHE CB C 61 38.920 39.030 -0.110 1
1 259 . 8 1 1 A 61 61 PHE N N 61 109.700 116.672 -6.972 1
1 260 . 8 1 1 A 62 62 GLY H H 62 7.800 7.099 0.701 1
1 261 . 8 1 1 A 62 62 GLY HA2 H 62 4.090 3.958 0.132 1
1 262 . 8 1 1 A 62 62 GLY HA3 H 62 4.290 4.095 0.195 1
1 263 . 8 1 1 A 62 62 GLY CA C 62 45.290 45.942 -0.652 1
1 264 . 8 1 1 A 62 62 GLY N N 62 106.520 103.938 2.582 1
1 265 . 8 1 1 A 63 63 ASN H H 63 8.520 8.574 -0.054 1
1 266 . 8 1 1 A 63 63 ASN HA H 63 4.920 5.291 -0.371 1
1 271 . 8 1 1 A 63 63 ASN CA C 63 52.930 52.853 0.077 1
1 272 . 8 1 1 A 63 63 ASN CB C 63 38.630 40.073 -1.443 1
1 273 . 8 1 1 A 63 63 ASN N N 63 117.020 118.968 -1.948 1
1 275 . 8 1 1 A 64 64 ILE H H 64 8.750 9.055 -0.305 1
1 276 . 8 1 1 A 64 64 ILE HA H 64 4.100 4.825 -0.725 1
1 286 . 8 1 1 A 64 64 ILE CA C 64 61.940 60.496 1.444 1
1 287 . 8 1 1 A 64 64 ILE CB C 64 38.780 38.353 0.427 1
1 291 . 8 1 1 A 64 64 ILE N N 64 127.930 123.401 4.529 1
1 292 . 8 1 1 A 65 65 ILE H H 65 8.910 8.526 0.384 1
1 293 . 8 1 1 A 65 65 ILE HA H 65 4.490 4.367 0.123 1
1 303 . 8 1 1 A 65 65 ILE CA C 65 61.310 61.523 -0.213 1
1 304 . 8 1 1 A 65 65 ILE CB C 65 38.470 38.824 -0.354 1
1 308 . 8 1 1 A 65 65 ILE N N 65 124.530 122.779 1.751 1
1 309 . 8 1 1 A 66 66 ASP H H 66 7.520 7.948 -0.428 1
1 310 . 8 1 1 A 66 66 ASP HA H 66 4.700 5.105 -0.405 1
1 313 . 8 1 1 A 66 66 ASP CA C 66 55.520 53.333 2.187 1
1 314 . 8 1 1 A 66 66 ASP CB C 66 45.290 44.441 0.849 1
1 315 . 8 1 1 A 66 66 ASP N N 66 119.140 121.290 -2.150 1
1 316 . 8 1 1 A 67 67 LEU H H 67 8.230 8.974 -0.744 1
1 317 . 8 1 1 A 67 67 LEU HA H 67 4.980 5.076 -0.096 1
1 326 . 8 1 1 A 67 67 LEU CA C 67 54.980 53.434 1.546 1
1 327 . 8 1 1 A 67 67 LEU CB C 67 44.440 45.098 -0.658 1
1 330 . 8 1 1 A 67 67 LEU N N 67 127.890 128.073 -0.183 1
1 331 . 8 1 1 A 68 68 SER H H 68 8.810 9.002 -0.192 1
1 332 . 8 1 1 A 68 68 SER HA H 68 4.970 5.367 -0.397 1
1 335 . 8 1 1 A 68 68 SER CA C 68 57.170 56.998 0.172 1
1 336 . 8 1 1 A 68 68 SER CB C 68 65.320 65.984 -0.664 1
1 337 . 8 1 1 A 68 68 SER N N 68 122.560 124.186 -1.626 1
1 338 . 8 1 1 A 69 69 MET H H 69 9.050 8.893 0.157 1
1 339 . 8 1 1 A 69 69 MET HA H 69 4.740 5.261 -0.521 1
1 345 . 8 1 1 A 69 69 MET CA C 69 54.520 54.265 0.255 1
1 348 . 8 1 1 A 69 69 MET N N 69 122.420 123.305 -0.885 1
1 349 . 8 1 1 A 70 70 ASP H H 70 8.620 8.719 -0.099 1
1 350 . 8 1 1 A 70 70 ASP HA H 70 5.140 5.305 -0.165 1
1 353 . 8 1 1 A 70 70 ASP CA C 70 51.410 50.742 0.668 1
1 354 . 8 1 1 A 70 70 ASP CB C 70 40.930 42.506 -1.576 1
1 355 . 8 1 1 A 70 70 ASP N N 70 120.620 122.363 -1.743 1
1 356 . 8 1 1 A 71 71 PRO HA H 71 4.760 4.372 0.388 1
1 359 . 8 1 1 A 71 71 PRO CA C 71 66.380 64.387 1.993 1
1 361 . 8 1 1 A 72 72 PRO HA H 72 4.520 4.386 0.134 1
1 368 . 8 1 1 A 72 72 PRO CA C 72 65.750 64.982 0.768 1
1 369 . 8 1 1 A 72 72 PRO CB C 72 31.570 31.468 0.102 1
1 371 . 8 1 1 A 73 73 ARG H H 73 7.360 7.507 -0.147 1
1 372 . 8 1 1 A 73 73 ARG HA H 73 4.570 4.531 0.039 1
1 378 . 8 1 1 A 73 73 ARG CA C 73 55.160 55.117 0.043 1
1 379 . 8 1 1 A 73 73 ARG CB C 73 29.000 30.880 -1.880 1
1 382 . 8 1 1 A 73 73 ARG N N 73 114.560 116.677 -2.117 1
1 383 . 8 1 1 A 74 74 ASN H H 74 8.440 7.971 0.469 1
1 384 . 8 1 1 A 74 74 ASN HA H 74 4.270 4.140 0.130 1
1 389 . 8 1 1 A 74 74 ASN CA C 74 53.830 54.480 -0.650 1
1 390 . 8 1 1 A 74 74 ASN CB C 74 37.500 36.558 0.942 1
1 391 . 8 1 1 A 74 74 ASN N N 74 115.460 115.013 0.447 1
1 393 . 8 1 1 A 75 75 CYS H H 75 7.270 7.567 -0.297 1
1 394 . 8 1 1 A 75 75 CYS HA H 75 5.730 5.124 0.606 1
1 396 . 8 1 1 A 75 75 CYS CA C 75 55.420 56.936 -1.516 1
1 397 . 8 1 1 A 75 75 CYS CB C 75 32.640 30.882 1.758 1
1 398 . 8 1 1 A 75 75 CYS N N 75 127.180 113.188 13.992 1
1 399 . 8 1 1 A 76 76 ALA H H 76 8.590 8.468 0.122 1
1 403 . 8 1 1 A 76 76 ALA CB C 76 24.400 22.933 1.467 1
1 404 . 8 1 1 A 76 76 ALA N N 76 122.120 123.912 -1.792 1
1 405 . 8 1 1 A 77 77 PHE H H 77 8.780 9.074 -0.294 1
1 406 . 8 1 1 A 77 77 PHE HA H 77 5.620 5.768 -0.148 1
1 407 . 8 1 1 A 77 77 PHE CA C 77 55.850 56.511 -0.661 1
1 408 . 8 1 1 A 77 77 PHE N N 77 115.390 118.082 -2.692 1
1 409 . 8 1 1 A 78 78 VAL H H 78 8.580 8.566 0.014 1
1 410 . 8 1 1 A 78 78 VAL HA H 78 4.300 4.541 -0.241 1
1 418 . 8 1 1 A 78 78 VAL CA C 78 60.960 60.362 0.598 1
1 419 . 8 1 1 A 78 78 VAL CB C 78 34.360 34.942 -0.582 1
1 422 . 8 1 1 A 78 78 VAL N N 78 126.440 121.526 4.914 1
1 423 . 8 1 1 A 79 79 THR H H 79 8.960 8.349 0.611 1
1 424 . 8 1 1 A 79 79 THR HA H 79 5.330 5.445 -0.115 1
1 429 . 8 1 1 A 79 79 THR CA C 79 61.940 62.017 -0.077 1
1 430 . 8 1 1 A 79 79 THR CB C 79 69.910 70.535 -0.625 1
1 432 . 8 1 1 A 79 79 THR N N 79 123.990 123.704 0.286 1
1 433 . 8 1 1 A 80 80 TYR H H 80 8.880 9.327 -0.447 1
1 434 . 8 1 1 A 80 80 TYR HA H 80 5.400 5.020 0.380 1
1 437 . 8 1 1 A 80 80 TYR CA C 80 57.660 56.319 1.341 1
1 438 . 8 1 1 A 80 80 TYR CB C 80 42.220 41.470 0.750 1
1 439 . 8 1 1 A 80 80 TYR N N 80 126.670 124.775 1.895 1
1 440 . 8 1 1 A 81 81 GLU H H 81 8.490 8.781 -0.291 1
1 441 . 8 1 1 A 81 81 GLU HA H 81 4.110 4.211 -0.101 1
1 446 . 8 1 1 A 81 81 GLU CA C 81 59.290 59.392 -0.102 1
1 447 . 8 1 1 A 81 81 GLU CB C 81 31.210 29.700 1.510 1
1 449 . 8 1 1 A 81 81 GLU N N 81 119.690 123.946 -4.256 1
1 450 . 8 1 1 A 82 82 LYS H H 82 8.460 7.704 0.756 1
1 451 . 8 1 1 A 82 82 LYS HA H 82 5.020 4.652 0.368 1
1 457 . 8 1 1 A 82 82 LYS CA C 82 54.140 54.700 -0.560 1
1 458 . 8 1 1 A 82 82 LYS CB C 82 34.420 35.246 -0.826 1
1 462 . 8 1 1 A 82 82 LYS N N 82 113.920 117.650 -3.730 1
1 463 . 8 1 1 A 83 83 MET H H 83 9.100 9.142 -0.042 1
1 464 . 8 1 1 A 83 83 MET HA H 83 4.070 4.203 -0.133 1
1 468 . 8 1 1 A 83 83 MET CA C 83 59.570 58.270 1.300 1
1 469 . 8 1 1 A 83 83 MET CB C 83 32.420 31.459 0.961 1
1 471 . 8 1 1 A 83 83 MET N N 83 122.530 122.172 0.358 1
1 472 . 8 1 1 A 84 84 GLU H H 84 9.690 7.945 1.745 1
1 473 . 8 1 1 A 84 84 GLU HA H 84 4.240 4.085 0.155 1
1 477 . 8 1 1 A 84 84 GLU CA C 84 60.040 59.312 0.728 1
1 478 . 8 1 1 A 84 84 GLU CB C 84 28.640 29.402 -0.762 1
1 480 . 8 1 1 A 84 84 GLU N N 84 117.940 119.884 -1.944 1
1 481 . 8 1 1 A 85 85 SER H H 85 7.110 7.894 -0.784 1
1 482 . 8 1 1 A 85 85 SER HA H 85 4.130 3.955 0.175 1
1 485 . 8 1 1 A 85 85 SER CA C 85 61.840 61.372 0.468 1
1 486 . 8 1 1 A 85 85 SER CB C 85 62.400 62.312 0.088 1
1 487 . 8 1 1 A 85 85 SER N N 85 115.500 116.169 -0.669 1
1 488 . 8 1 1 A 86 86 ALA H H 86 6.860 7.978 -1.118 1
1 489 . 8 1 1 A 86 86 ALA HA H 86 4.080 4.520 -0.440 1
1 493 . 8 1 1 A 86 86 ALA CA C 86 55.210 55.143 0.067 1
1 494 . 8 1 1 A 86 86 ALA CB C 86 18.070 18.559 -0.489 1
1 495 . 8 1 1 A 86 86 ALA N N 86 122.760 123.354 -0.594 1
1 496 . 8 1 1 A 87 87 ASP H H 87 7.680 7.983 -0.303 1
1 497 . 8 1 1 A 87 87 ASP HA H 87 4.390 4.386 0.004 1
1 500 . 8 1 1 A 87 87 ASP CA C 87 57.470 57.798 -0.328 1
1 501 . 8 1 1 A 87 87 ASP CB C 87 40.850 41.779 -0.929 1
1 502 . 8 1 1 A 87 87 ASP N N 87 115.980 118.521 -2.541 1
1 503 . 8 1 1 A 88 88 GLN H H 88 7.670 7.990 -0.320 1
1 504 . 8 1 1 A 88 88 GLN HA H 88 4.040 4.126 -0.086 1
1 511 . 8 1 1 A 88 88 GLN CA C 88 58.500 58.814 -0.314 1
1 512 . 8 1 1 A 88 88 GLN CB C 88 28.270 28.945 -0.675 1
1 514 . 8 1 1 A 88 88 GLN N N 88 119.920 119.313 0.607 1
1 516 . 8 1 1 A 89 89 ALA H H 89 7.950 7.642 0.308 1
1 517 . 8 1 1 A 89 89 ALA HA H 89 2.800 2.447 0.353 1
1 521 . 8 1 1 A 89 89 ALA CA C 89 54.930 54.420 0.510 1
1 522 . 8 1 1 A 89 89 ALA CB C 89 19.340 18.113 1.227 1
1 523 . 8 1 1 A 89 89 ALA N N 89 121.330 121.636 -0.306 1
1 524 . 8 1 1 A 90 90 VAL H H 90 8.030 8.854 -0.824 1
1 525 . 8 1 1 A 90 90 VAL HA H 90 3.370 3.509 -0.139 1
1 533 . 8 1 1 A 90 90 VAL CA C 90 67.090 66.660 0.430 1
1 534 . 8 1 1 A 90 90 VAL CB C 90 32.180 31.500 0.680 1
1 537 . 8 1 1 A 90 90 VAL N N 90 116.630 118.724 -2.094 1
1 538 . 8 1 1 A 91 91 ALA H H 91 7.350 8.318 -0.968 1
1 539 . 8 1 1 A 91 91 ALA HA H 91 4.130 4.098 0.032 1
1 543 . 8 1 1 A 91 91 ALA CA C 91 54.810 55.097 -0.287 1
1 544 . 8 1 1 A 91 91 ALA CB C 91 18.330 18.294 0.036 1
1 545 . 8 1 1 A 91 91 ALA N N 91 119.620 121.556 -1.936 1
1 546 . 8 1 1 A 92 92 GLU H H 92 7.960 7.697 0.263 1
1 547 . 8 1 1 A 92 92 GLU HA H 92 4.360 4.220 0.140 1
1 552 . 8 1 1 A 92 92 GLU CA C 92 57.930 58.566 -0.636 1
1 553 . 8 1 1 A 92 92 GLU CB C 92 30.980 30.316 0.664 1
1 555 . 8 1 1 A 92 92 GLU N N 92 113.770 117.911 -4.141 1
1 556 . 8 1 1 A 93 93 LEU H H 93 8.310 8.305 0.005 1
1 557 . 8 1 1 A 93 93 LEU HA H 93 4.620 4.044 0.576 1
1 567 . 8 1 1 A 93 93 LEU CA C 93 55.810 57.343 -1.533 1
1 568 . 8 1 1 A 93 93 LEU CB C 93 44.130 41.359 2.771 1
1 572 . 8 1 1 A 93 93 LEU N N 93 114.550 118.903 -4.353 1
1 573 . 8 1 1 A 94 94 ASN H H 94 7.910 7.910 0.000 1
1 574 . 8 1 1 A 94 94 ASN HA H 94 4.430 4.353 0.077 1
1 577 . 8 1 1 A 94 94 ASN CA C 94 56.690 54.974 1.716 1
1 578 . 8 1 1 A 94 94 ASN N N 94 116.840 117.762 -0.922 1
1 580 . 8 1 1 A 95 95 GLY H H 95 8.890 8.874 0.016 1
1 581 . 8 1 1 A 95 95 GLY HA2 H 95 3.960 3.951 0.009 1
1 582 . 8 1 1 A 95 95 GLY HA3 H 95 4.290 3.953 0.337 1
1 583 . 8 1 1 A 95 95 GLY CA C 95 46.090 45.684 0.406 1
1 584 . 8 1 1 A 95 95 GLY N N 95 116.350 113.996 2.354 1
1 585 . 8 1 1 A 96 96 THR H H 96 7.860 7.293 0.567 1
1 586 . 8 1 1 A 96 96 THR HA H 96 4.660 4.973 -0.313 1
1 591 . 8 1 1 A 96 96 THR CA C 96 60.880 59.297 1.583 1
1 592 . 8 1 1 A 96 96 THR CB C 96 71.090 72.288 -1.198 1
1 594 . 8 1 1 A 96 96 THR N N 96 113.920 110.813 3.107 1
1 595 . 8 1 1 A 97 97 GLN H H 97 8.360 8.783 -0.423 1
1 596 . 8 1 1 A 97 97 GLN HA H 97 5.210 5.051 0.159 1
1 602 . 8 1 1 A 97 97 GLN CA C 97 54.170 54.015 0.155 1
1 603 . 8 1 1 A 97 97 GLN CB C 97 30.470 32.272 -1.802 1
1 605 . 8 1 1 A 97 97 GLN N N 97 119.550 121.913 -2.363 1
1 607 . 8 1 1 A 98 98 VAL H H 98 8.900 9.591 -0.691 1
1 608 . 8 1 1 A 98 98 VAL HA H 98 4.200 4.368 -0.168 1
1 616 . 8 1 1 A 98 98 VAL CA C 98 61.350 60.968 0.382 1
1 617 . 8 1 1 A 98 98 VAL CB C 98 33.600 32.386 1.214 1
1 620 . 8 1 1 A 98 98 VAL N N 98 127.260 126.189 1.071 1
1 621 . 8 1 1 A 99 99 GLU H H 99 9.160 8.668 0.492 1
1 622 . 8 1 1 A 99 99 GLU HA H 99 3.820 4.039 -0.219 1
1 625 . 8 1 1 A 99 99 GLU CA C 99 57.950 59.354 -1.404 1
1 626 . 8 1 1 A 99 99 GLU CB C 99 27.110 29.841 -2.731 1
1 628 . 8 1 1 A 99 99 GLU N N 99 124.200 123.476 0.724 1
1 629 . 8 1 1 A 100 100 SER H H 100 8.330 7.947 0.383 1
1 630 . 8 1 1 A 100 100 SER HA H 100 4.280 4.623 -0.343 1
1 633 . 8 1 1 A 100 100 SER CA C 100 59.780 57.342 2.438 1
1 634 . 8 1 1 A 100 100 SER CB C 100 63.300 64.113 -0.813 1
1 635 . 8 1 1 A 100 100 SER N N 100 111.660 113.708 -2.048 1
1 636 . 8 1 1 A 101 101 VAL H H 101 8.410 7.567 0.843 1
1 637 . 8 1 1 A 101 101 VAL HA H 101 4.210 4.786 -0.576 1
1 645 . 8 1 1 A 101 101 VAL CA C 101 62.080 59.877 2.203 1
1 646 . 8 1 1 A 101 101 VAL CB C 101 33.200 36.929 -3.729 1
1 649 . 8 1 1 A 101 101 VAL N N 101 124.550 120.846 3.704 1
1 650 . 8 1 1 A 102 102 GLN H H 102 8.510 8.795 -0.285 1
1 651 . 8 1 1 A 102 102 GLN HA H 102 4.590 5.032 -0.442 1
1 658 . 8 1 1 A 102 102 GLN CA C 102 55.090 54.292 0.798 1
1 659 . 8 1 1 A 102 102 GLN CB C 102 28.620 32.278 -3.658 1
1 661 . 8 1 1 A 102 102 GLN N N 102 127.320 123.014 4.306 1
1 663 . 8 1 1 A 103 103 LEU H H 103 8.710 8.616 0.094 1
1 664 . 8 1 1 A 103 103 LEU HA H 103 5.050 5.631 -0.581 1
1 674 . 8 1 1 A 103 103 LEU CA C 103 54.740 53.609 1.131 1
1 675 . 8 1 1 A 103 103 LEU CB C 103 44.820 45.515 -0.695 1
1 679 . 8 1 1 A 103 103 LEU N N 103 126.610 124.435 2.175 1
1 680 . 8 1 1 A 104 104 LYS H H 104 8.690 9.099 -0.409 1
1 681 . 8 1 1 A 104 104 LYS HA H 104 5.030 5.091 -0.061 1
1 688 . 8 1 1 A 104 104 LYS CA C 104 55.480 54.943 0.537 1
1 689 . 8 1 1 A 104 104 LYS CB C 104 34.520 35.124 -0.604 1
1 693 . 8 1 1 A 104 104 LYS N N 104 124.080 123.771 0.309 1
1 694 . 8 1 1 A 105 105 VAL H H 105 9.050 8.966 0.084 1
1 695 . 8 1 1 A 105 105 VAL HA H 105 5.190 5.400 -0.210 1
1 703 . 8 1 1 A 105 105 VAL CA C 105 60.840 61.017 -0.177 1
1 704 . 8 1 1 A 105 105 VAL CB C 105 35.660 33.880 1.780 1
1 707 . 8 1 1 A 105 105 VAL N N 105 123.920 125.156 -1.236 1
1 708 . 8 1 1 A 106 106 ASN H H 106 9.300 8.781 0.519 1
1 709 . 8 1 1 A 106 106 ASN HA H 106 5.220 5.253 -0.033 1
1 714 . 8 1 1 A 106 106 ASN CA C 106 51.630 51.950 -0.320 1
1 715 . 8 1 1 A 106 106 ASN CB C 106 43.840 42.573 1.267 1
1 716 . 8 1 1 A 106 106 ASN N N 106 122.780 122.183 0.597 1
1 718 . 8 1 1 A 107 107 ILE H H 107 9.050 8.804 0.246 1
1 719 . 8 1 1 A 107 107 ILE HA H 107 4.160 4.963 -0.803 1
1 729 . 8 1 1 A 107 107 ILE CA C 107 61.670 60.093 1.577 1
1 730 . 8 1 1 A 107 107 ILE CB C 107 36.140 39.702 -3.562 1
1 733 . 8 1 1 A 107 107 ILE N N 107 122.980 120.800 2.180 1
1 734 . 8 1 1 A 108 108 ALA H H 108 8.740 8.786 -0.046 1
1 735 . 8 1 1 A 108 108 ALA HA H 108 4.780 4.678 0.102 1
1 739 . 8 1 1 A 108 108 ALA CA C 108 52.620 49.999 2.621 1
1 740 . 8 1 1 A 108 108 ALA CB C 108 19.570 21.104 -1.534 1
1 741 . 8 1 1 A 108 108 ALA N N 108 131.610 129.850 1.760 1
1 742 . 8 1 1 A 109 109 ARG HA H 109 4.390 4.213 0.177 1
1 746 . 8 1 1 A 109 109 ARG CA C 109 56.120 57.003 -0.883 1
1 747 . 8 1 1 A 109 109 ARG CB C 109 31.010 30.649 0.361 1
1 749 . 8 1 1 A 111 111 GLN HA H 111 4.630 4.001 0.629 1
1 754 . 8 1 1 A 111 111 GLN CA C 111 55.160 56.602 -1.442 1
1 755 . 8 1 1 A 111 111 GLN CB C 111 32.900 27.192 5.708 1
1 757 . 8 1 1 A 112 112 PRO HA H 112 4.370 4.381 -0.011 1
1 761 . 8 1 1 A 112 112 PRO CA C 112 64.090 64.794 -0.704 1
1 762 . 8 1 1 A 112 112 PRO CB C 112 32.650 31.953 0.697 1
1 767 . 8 1 1 A 114 114 LEU H H 114 7.710 7.372 0.338 1
1 768 . 8 1 1 A 114 114 LEU HA H 114 4.440 4.569 -0.129 1
1 777 . 8 1 1 A 114 114 LEU CB C 114 42.640 43.160 -0.520 1
1 780 . 8 1 1 A 114 114 LEU N N 114 123.050 119.277 3.773 1
1 781 . 8 1 1 A 115 115 ASP H H 115 8.440 8.355 0.085 1
1 782 . 8 1 1 A 115 115 ASP HA H 115 4.610 4.462 0.148 1
1 785 . 8 1 1 A 115 115 ASP CA C 115 54.620 55.581 -0.961 1
1 786 . 8 1 1 A 115 115 ASP CB C 115 40.720 39.086 1.634 1
1 787 . 8 1 1 A 115 115 ASP N N 115 119.520 115.189 4.331 1
1 788 . 8 1 1 A 116 116 ALA H H 116 8.060 7.865 0.195 1
1 789 . 8 1 1 A 116 116 ALA HA H 116 4.320 4.273 0.047 1
1 793 . 8 1 1 A 116 116 ALA CA C 116 53.080 54.829 -1.749 1
1 794 . 8 1 1 A 116 116 ALA CB C 116 19.000 17.971 1.029 1
1 795 . 8 1 1 A 116 116 ALA N N 116 123.460 113.720 9.740 1
1 796 . 8 1 1 A 117 117 ALA H H 117 8.110 8.096 0.014 1
1 797 . 8 1 1 A 117 117 ALA HA H 117 4.640 4.515 0.125 1
1 801 . 8 1 1 A 117 117 ALA CA C 117 52.600 51.659 0.941 1
1 802 . 8 1 1 A 117 117 ALA CB C 117 19.360 19.674 -0.314 1
1 803 . 8 1 1 A 117 117 ALA N N 117 121.130 118.617 2.513 1
1 804 . 8 1 1 A 118 118 THR H H 118 8.060 7.306 0.754 1
1 805 . 8 1 1 A 118 118 THR HA H 118 4.430 4.023 0.407 1
1 810 . 8 1 1 A 118 118 THR CA C 118 62.130 65.353 -3.223 1
1 811 . 8 1 1 A 118 118 THR CB C 118 69.840 68.755 1.085 1
1 813 . 8 1 1 A 118 118 THR N N 118 112.100 113.007 -0.907 1
1 814 . 8 1 1 A 119 119 GLY H H 119 8.430 7.817 0.613 1
1 815 . 8 1 1 A 119 119 GLY N N 119 111.230 109.075 2.155 1
1 816 . 8 1 1 A 120 120 LYS H H 120 8.200 8.707 -0.507 1
1 817 . 8 1 1 A 120 120 LYS HA H 120 4.510 4.072 0.438 1
1 821 . 8 1 1 A 120 120 LYS CA C 120 56.110 58.770 -2.660 1
1 822 . 8 1 1 A 120 120 LYS CB C 120 33.270 32.600 0.670 1
1 823 . 8 1 1 A 120 120 LYS N N 120 121.180 119.927 1.253 1
1 17 . 9 1 1 A 37 37 ARG H H 37 8.370 7.884 0.486 1
1 18 . 9 1 1 A 37 37 ARG N N 37 121.030 119.903 1.127 1
1 19 . 9 1 1 A 38 38 LYS H H 38 8.150 8.461 -0.311 1
1 20 . 9 1 1 A 38 38 LYS HA H 38 4.750 4.880 -0.130 1
1 25 . 9 1 1 A 38 38 LYS CA C 38 54.190 54.768 -0.578 1
1 26 . 9 1 1 A 38 38 LYS CB C 38 35.040 34.466 0.574 1
1 27 . 9 1 1 A 38 38 LYS N N 38 119.860 122.388 -2.528 1
1 28 . 9 1 1 A 39 39 GLY H H 39 8.710 8.916 -0.206 1
1 29 . 9 1 1 A 39 39 GLY HA3 H 39 4.050 4.313 -0.263 1
1 30 . 9 1 1 A 39 39 GLY CA C 39 45.460 45.538 -0.078 1
1 31 . 9 1 1 A 39 39 GLY N N 39 107.990 108.021 -0.031 1
1 32 . 9 1 1 A 40 40 ASN H H 40 8.300 8.754 -0.454 1
1 33 . 9 1 1 A 40 40 ASN HA H 40 4.850 5.223 -0.373 1
1 38 . 9 1 1 A 40 40 ASN CA C 40 54.110 53.430 0.680 1
1 39 . 9 1 1 A 40 40 ASN CB C 40 37.840 41.647 -3.807 1
1 40 . 9 1 1 A 40 40 ASN N N 40 115.650 118.093 -2.443 1
1 42 . 9 1 1 A 41 41 THR HA H 41 5.400 5.145 0.255 1
1 47 . 9 1 1 A 41 41 THR CA C 41 63.410 62.441 0.969 1
1 48 . 9 1 1 A 41 41 THR CB C 41 69.930 70.057 -0.127 1
1 50 . 9 1 1 A 42 42 LEU H H 42 9.900 8.830 1.070 1
1 51 . 9 1 1 A 42 42 LEU HA H 42 5.090 5.145 -0.055 1
1 61 . 9 1 1 A 42 42 LEU CA C 42 53.260 53.648 -0.388 1
1 62 . 9 1 1 A 42 42 LEU CB C 42 43.590 45.375 -1.785 1
1 66 . 9 1 1 A 42 42 LEU N N 42 127.870 124.607 3.263 1
1 67 . 9 1 1 A 43 43 TYR H H 43 9.190 9.068 0.122 1
1 68 . 9 1 1 A 43 43 TYR HA H 43 4.420 5.028 -0.608 1
1 71 . 9 1 1 A 43 43 TYR CB C 43 40.310 40.571 -0.261 1
1 72 . 9 1 1 A 43 43 TYR N N 43 124.140 124.750 -0.610 1
1 73 . 9 1 1 A 44 44 VAL H H 44 7.980 8.784 -0.804 1
1 74 . 9 1 1 A 44 44 VAL HA H 44 4.810 5.255 -0.445 1
1 82 . 9 1 1 A 44 44 VAL CA C 44 59.320 61.312 -1.992 1
1 83 . 9 1 1 A 44 44 VAL CB C 44 34.360 33.474 0.886 1
1 86 . 9 1 1 A 44 44 VAL N N 44 127.360 128.149 -0.789 1
1 87 . 9 1 1 A 45 45 TYR H H 45 9.020 8.728 0.292 1
1 88 . 9 1 1 A 45 45 TYR HA H 45 4.980 5.379 -0.399 1
1 94 . 9 1 1 A 45 45 TYR CA C 45 55.680 55.528 0.152 1
1 95 . 9 1 1 A 45 45 TYR CB C 45 42.210 41.448 0.762 1
1 96 . 9 1 1 A 45 45 TYR N N 45 126.390 128.185 -1.795 1
1 97 . 9 1 1 A 46 46 GLY H H 46 7.510 7.546 -0.036 1
1 98 . 9 1 1 A 46 46 GLY HA2 H 46 3.830 4.078 -0.248 1
1 99 . 9 1 1 A 46 46 GLY HA3 H 46 3.830 4.112 -0.282 1
1 100 . 9 1 1 A 46 46 GLY CA C 46 45.360 45.919 -0.559 1
1 101 . 9 1 1 A 46 46 GLY N N 46 114.220 112.070 2.150 1
1 102 . 9 1 1 A 47 47 GLU H H 47 8.750 8.519 0.231 1
1 103 . 9 1 1 A 47 47 GLU HA H 47 3.990 4.734 -0.744 1
1 108 . 9 1 1 A 47 47 GLU CA C 47 56.720 54.375 2.345 1
1 109 . 9 1 1 A 47 47 GLU CB C 47 30.460 33.344 -2.884 1
1 111 . 9 1 1 A 47 47 GLU N N 47 123.880 120.029 3.851 1
1 112 . 9 1 1 A 48 48 ASP H H 48 8.540 8.643 -0.103 1
1 113 . 9 1 1 A 48 48 ASP HA H 48 4.250 4.066 0.184 1
1 116 . 9 1 1 A 48 48 ASP CA C 48 55.210 55.144 0.066 1
1 117 . 9 1 1 A 48 48 ASP CB C 48 39.150 39.482 -0.332 1
1 118 . 9 1 1 A 48 48 ASP N N 48 117.200 117.943 -0.743 1
1 119 . 9 1 1 A 49 49 MET H H 49 8.190 7.750 0.440 1
1 120 . 9 1 1 A 49 49 MET HA H 49 4.120 4.945 -0.825 1
1 126 . 9 1 1 A 49 49 MET CA C 49 57.510 54.074 3.436 1
1 127 . 9 1 1 A 49 49 MET CB C 49 34.620 34.416 0.204 1
1 129 . 9 1 1 A 49 49 MET N N 49 114.560 117.750 -3.190 1
1 130 . 9 1 1 A 50 50 THR H H 50 6.510 8.666 -2.156 1
1 131 . 9 1 1 A 50 50 THR HA H 50 5.020 4.926 0.094 1
1 136 . 9 1 1 A 50 50 THR CA C 50 57.960 58.432 -0.472 1
1 137 . 9 1 1 A 50 50 THR CB C 50 70.150 69.858 0.292 1
1 139 . 9 1 1 A 50 50 THR N N 50 108.060 113.407 -5.347 1
1 140 . 9 1 1 A 51 51 PRO HA H 51 4.340 4.267 0.073 1
1 146 . 9 1 1 A 51 51 PRO CA C 51 65.790 65.743 0.047 1
1 147 . 9 1 1 A 51 51 PRO CB C 51 31.780 31.671 0.109 1
1 150 . 9 1 1 A 52 52 THR H H 52 7.640 7.802 -0.162 1
1 151 . 9 1 1 A 52 52 THR HA H 52 3.980 4.034 -0.054 1
1 156 . 9 1 1 A 52 52 THR CA C 52 66.160 65.596 0.564 1
1 157 . 9 1 1 A 52 52 THR CB C 52 68.430 68.411 0.019 1
1 159 . 9 1 1 A 52 52 THR N N 52 111.520 111.718 -0.198 1
1 160 . 9 1 1 A 53 53 LEU H H 53 7.810 8.070 -0.260 1
1 161 . 9 1 1 A 53 53 LEU HA H 53 4.130 4.048 0.082 1
1 171 . 9 1 1 A 53 53 LEU CA C 53 58.360 58.368 -0.008 1
1 172 . 9 1 1 A 53 53 LEU CB C 53 42.970 41.473 1.497 1
1 176 . 9 1 1 A 53 53 LEU N N 53 125.410 121.700 3.710 1
1 177 . 9 1 1 A 54 54 LEU H H 54 7.840 8.116 -0.276 1
1 178 . 9 1 1 A 54 54 LEU HA H 54 4.260 3.927 0.333 1
1 188 . 9 1 1 A 54 54 LEU CA C 54 57.580 58.344 -0.764 1
1 189 . 9 1 1 A 54 54 LEU CB C 54 42.330 41.611 0.719 1
1 193 . 9 1 1 A 54 54 LEU N N 54 117.150 118.821 -1.671 1
1 194 . 9 1 1 A 55 55 ARG H H 55 9.020 8.569 0.451 1
1 195 . 9 1 1 A 55 55 ARG HA H 55 3.880 4.112 -0.232 1
1 202 . 9 1 1 A 55 55 ARG CA C 55 60.890 59.225 1.665 1
1 203 . 9 1 1 A 55 55 ARG CB C 55 29.580 29.776 -0.196 1
1 206 . 9 1 1 A 55 55 ARG N N 55 120.050 117.612 2.438 1
1 207 . 9 1 1 A 56 56 GLY H H 56 8.180 8.264 -0.084 1
1 208 . 9 1 1 A 56 56 GLY HA2 H 56 3.940 3.915 0.025 1
1 209 . 9 1 1 A 56 56 GLY HA3 H 56 4.100 3.934 0.166 1
1 210 . 9 1 1 A 56 56 GLY CA C 56 47.210 47.255 -0.045 1
1 211 . 9 1 1 A 56 56 GLY N N 56 106.700 108.380 -1.680 1
1 212 . 9 1 1 A 57 57 ALA H H 57 7.830 8.015 -0.185 1
1 213 . 9 1 1 A 57 57 ALA HA H 57 4.360 4.108 0.252 1
1 217 . 9 1 1 A 57 57 ALA CA C 57 53.590 54.374 -0.784 1
1 218 . 9 1 1 A 57 57 ALA CB C 57 19.050 18.155 0.895 1
1 219 . 9 1 1 A 57 57 ALA N N 57 120.270 124.881 -4.611 1
1 220 . 9 1 1 A 58 58 PHE H H 58 8.600 8.059 0.541 1
1 221 . 9 1 1 A 58 58 PHE HA H 58 4.790 5.653 -0.863 1
1 227 . 9 1 1 A 58 58 PHE CA C 58 60.210 57.664 2.546 1
1 228 . 9 1 1 A 58 58 PHE CB C 58 38.390 39.504 -1.114 1
1 229 . 9 1 1 A 58 58 PHE N N 58 110.250 116.592 -6.342 1
1 230 . 9 1 1 A 59 59 SER H H 59 8.610 7.956 0.654 1
1 231 . 9 1 1 A 59 59 SER HA H 59 4.810 4.422 0.388 1
1 234 . 9 1 1 A 59 59 SER CA C 59 63.540 62.798 0.742 1
1 235 . 9 1 1 A 59 59 SER CB C 59 62.910 62.597 0.313 1
1 236 . 9 1 1 A 59 59 SER N N 59 122.860 116.566 6.294 1
1 237 . 9 1 1 A 60 60 PRO HA H 60 4.280 4.322 -0.042 1
1 244 . 9 1 1 A 60 60 PRO CA C 60 65.680 65.609 0.071 1
1 245 . 9 1 1 A 60 60 PRO CB C 60 31.420 30.724 0.696 1
1 248 . 9 1 1 A 61 61 PHE H H 61 6.850 8.552 -1.702 1
1 249 . 9 1 1 A 61 61 PHE HA H 61 4.510 4.214 0.296 1
1 257 . 9 1 1 A 61 61 PHE CA C 61 58.310 60.856 -2.546 1
1 258 . 9 1 1 A 61 61 PHE CB C 61 38.920 39.065 -0.145 1
1 259 . 9 1 1 A 61 61 PHE N N 61 109.700 116.600 -6.900 1
1 260 . 9 1 1 A 62 62 GLY H H 62 7.800 7.571 0.229 1
1 261 . 9 1 1 A 62 62 GLY HA2 H 62 4.090 3.973 0.117 1
1 262 . 9 1 1 A 62 62 GLY HA3 H 62 4.290 4.096 0.194 1
1 263 . 9 1 1 A 62 62 GLY CA C 62 45.290 45.812 -0.522 1
1 264 . 9 1 1 A 62 62 GLY N N 62 106.520 103.858 2.662 1
1 265 . 9 1 1 A 63 63 ASN H H 63 8.520 8.599 -0.079 1
1 266 . 9 1 1 A 63 63 ASN HA H 63 4.920 5.215 -0.295 1
1 271 . 9 1 1 A 63 63 ASN CA C 63 52.930 53.070 -0.140 1
1 272 . 9 1 1 A 63 63 ASN CB C 63 38.630 39.992 -1.362 1
1 273 . 9 1 1 A 63 63 ASN N N 63 117.020 118.693 -1.673 1
1 275 . 9 1 1 A 64 64 ILE H H 64 8.750 9.009 -0.259 1
1 276 . 9 1 1 A 64 64 ILE HA H 64 4.100 4.881 -0.781 1
1 286 . 9 1 1 A 64 64 ILE CA C 64 61.940 60.375 1.565 1
1 287 . 9 1 1 A 64 64 ILE CB C 64 38.780 39.269 -0.489 1
1 291 . 9 1 1 A 64 64 ILE N N 64 127.930 123.164 4.766 1
1 292 . 9 1 1 A 65 65 ILE H H 65 8.910 8.967 -0.057 1
1 293 . 9 1 1 A 65 65 ILE HA H 65 4.490 4.387 0.103 1
1 303 . 9 1 1 A 65 65 ILE CA C 65 61.310 61.495 -0.185 1
1 304 . 9 1 1 A 65 65 ILE CB C 65 38.470 38.932 -0.462 1
1 308 . 9 1 1 A 65 65 ILE N N 65 124.530 122.161 2.369 1
1 309 . 9 1 1 A 66 66 ASP H H 66 7.520 7.769 -0.249 1
1 310 . 9 1 1 A 66 66 ASP HA H 66 4.700 5.059 -0.359 1
1 313 . 9 1 1 A 66 66 ASP CA C 66 55.520 53.930 1.590 1
1 314 . 9 1 1 A 66 66 ASP CB C 66 45.290 43.019 2.271 1
1 315 . 9 1 1 A 66 66 ASP N N 66 119.140 120.943 -1.803 1
1 316 . 9 1 1 A 67 67 LEU H H 67 8.230 8.699 -0.469 1
1 317 . 9 1 1 A 67 67 LEU HA H 67 4.980 4.911 0.069 1
1 326 . 9 1 1 A 67 67 LEU CA C 67 54.980 53.735 1.245 1
1 327 . 9 1 1 A 67 67 LEU CB C 67 44.440 44.187 0.253 1
1 330 . 9 1 1 A 67 67 LEU N N 67 127.890 128.650 -0.760 1
1 331 . 9 1 1 A 68 68 SER H H 68 8.810 9.084 -0.274 1
1 332 . 9 1 1 A 68 68 SER HA H 68 4.970 5.352 -0.382 1
1 335 . 9 1 1 A 68 68 SER CA C 68 57.170 56.570 0.600 1
1 336 . 9 1 1 A 68 68 SER CB C 68 65.320 65.809 -0.489 1
1 337 . 9 1 1 A 68 68 SER N N 68 122.560 121.547 1.013 1
1 338 . 9 1 1 A 69 69 MET H H 69 9.050 8.846 0.204 1
1 339 . 9 1 1 A 69 69 MET HA H 69 4.740 5.222 -0.482 1
1 345 . 9 1 1 A 69 69 MET CA C 69 54.520 54.246 0.274 1
1 348 . 9 1 1 A 69 69 MET N N 69 122.420 123.290 -0.870 1
1 349 . 9 1 1 A 70 70 ASP H H 70 8.620 8.830 -0.210 1
1 350 . 9 1 1 A 70 70 ASP HA H 70 5.140 5.255 -0.115 1
1 353 . 9 1 1 A 70 70 ASP CA C 70 51.410 50.738 0.672 1
1 354 . 9 1 1 A 70 70 ASP CB C 70 40.930 42.360 -1.430 1
1 355 . 9 1 1 A 70 70 ASP N N 70 120.620 122.363 -1.743 1
1 356 . 9 1 1 A 71 71 PRO HA H 71 4.760 4.370 0.390 1
1 359 . 9 1 1 A 71 71 PRO CA C 71 66.380 64.385 1.995 1
1 361 . 9 1 1 A 72 72 PRO HA H 72 4.520 4.359 0.161 1
1 368 . 9 1 1 A 72 72 PRO CA C 72 65.750 65.150 0.600 1
1 369 . 9 1 1 A 72 72 PRO CB C 72 31.570 31.399 0.171 1
1 371 . 9 1 1 A 73 73 ARG H H 73 7.360 7.520 -0.160 1
1 372 . 9 1 1 A 73 73 ARG HA H 73 4.570 4.508 0.062 1
1 378 . 9 1 1 A 73 73 ARG CA C 73 55.160 55.280 -0.120 1
1 379 . 9 1 1 A 73 73 ARG CB C 73 29.000 30.977 -1.977 1
1 382 . 9 1 1 A 73 73 ARG N N 73 114.560 116.319 -1.759 1
1 383 . 9 1 1 A 74 74 ASN H H 74 8.440 7.946 0.494 1
1 384 . 9 1 1 A 74 74 ASN HA H 74 4.270 4.105 0.165 1
1 389 . 9 1 1 A 74 74 ASN CA C 74 53.830 54.516 -0.686 1
1 390 . 9 1 1 A 74 74 ASN CB C 74 37.500 36.475 1.025 1
1 391 . 9 1 1 A 74 74 ASN N N 74 115.460 115.133 0.327 1
1 393 . 9 1 1 A 75 75 CYS H H 75 7.270 7.590 -0.320 1
1 394 . 9 1 1 A 75 75 CYS HA H 75 5.730 5.159 0.571 1
1 396 . 9 1 1 A 75 75 CYS CA C 75 55.420 57.157 -1.737 1
1 397 . 9 1 1 A 75 75 CYS CB C 75 32.640 30.715 1.925 1
1 398 . 9 1 1 A 75 75 CYS N N 75 127.180 113.387 13.793 1
1 399 . 9 1 1 A 76 76 ALA H H 76 8.590 8.576 0.014 1
1 403 . 9 1 1 A 76 76 ALA CB C 76 24.400 22.405 1.995 1
1 404 . 9 1 1 A 76 76 ALA N N 76 122.120 124.506 -2.386 1
1 405 . 9 1 1 A 77 77 PHE H H 77 8.780 9.629 -0.849 1
1 406 . 9 1 1 A 77 77 PHE HA H 77 5.620 5.665 -0.045 1
1 407 . 9 1 1 A 77 77 PHE CA C 77 55.850 56.533 -0.683 1
1 408 . 9 1 1 A 77 77 PHE N N 77 115.390 118.478 -3.088 1
1 409 . 9 1 1 A 78 78 VAL H H 78 8.580 8.624 -0.044 1
1 410 . 9 1 1 A 78 78 VAL HA H 78 4.300 4.601 -0.301 1
1 418 . 9 1 1 A 78 78 VAL CA C 78 60.960 60.456 0.504 1
1 419 . 9 1 1 A 78 78 VAL CB C 78 34.360 34.127 0.233 1
1 422 . 9 1 1 A 78 78 VAL N N 78 126.440 122.447 3.993 1
1 423 . 9 1 1 A 79 79 THR H H 79 8.960 8.037 0.923 1
1 424 . 9 1 1 A 79 79 THR HA H 79 5.330 5.418 -0.088 1
1 429 . 9 1 1 A 79 79 THR CA C 79 61.940 61.917 0.023 1
1 430 . 9 1 1 A 79 79 THR CB C 79 69.910 70.515 -0.605 1
1 432 . 9 1 1 A 79 79 THR N N 79 123.990 123.728 0.262 1
1 433 . 9 1 1 A 80 80 TYR H H 80 8.880 9.629 -0.749 1
1 434 . 9 1 1 A 80 80 TYR HA H 80 5.400 4.971 0.429 1
1 437 . 9 1 1 A 80 80 TYR CA C 80 57.660 56.221 1.439 1
1 438 . 9 1 1 A 80 80 TYR CB C 80 42.220 40.661 1.559 1
1 439 . 9 1 1 A 80 80 TYR N N 80 126.670 124.810 1.860 1
1 440 . 9 1 1 A 81 81 GLU H H 81 8.490 8.750 -0.260 1
1 441 . 9 1 1 A 81 81 GLU HA H 81 4.110 4.322 -0.212 1
1 446 . 9 1 1 A 81 81 GLU CA C 81 59.290 59.870 -0.580 1
1 447 . 9 1 1 A 81 81 GLU CB C 81 31.210 29.763 1.447 1
1 449 . 9 1 1 A 81 81 GLU N N 81 119.690 126.424 -6.734 1
1 450 . 9 1 1 A 82 82 LYS H H 82 8.460 8.114 0.346 1
1 451 . 9 1 1 A 82 82 LYS HA H 82 5.020 4.738 0.282 1
1 457 . 9 1 1 A 82 82 LYS CA C 82 54.140 54.467 -0.327 1
1 458 . 9 1 1 A 82 82 LYS CB C 82 34.420 35.411 -0.991 1
1 462 . 9 1 1 A 82 82 LYS N N 82 113.920 117.027 -3.107 1
1 463 . 9 1 1 A 83 83 MET H H 83 9.100 8.909 0.191 1
1 464 . 9 1 1 A 83 83 MET HA H 83 4.070 4.445 -0.375 1
1 468 . 9 1 1 A 83 83 MET CA C 83 59.570 57.058 2.512 1
1 469 . 9 1 1 A 83 83 MET CB C 83 32.420 32.099 0.321 1
1 471 . 9 1 1 A 83 83 MET N N 83 122.530 121.803 0.727 1
1 472 . 9 1 1 A 84 84 GLU H H 84 9.690 7.890 1.800 1
1 473 . 9 1 1 A 84 84 GLU HA H 84 4.240 4.108 0.132 1
1 477 . 9 1 1 A 84 84 GLU CA C 84 60.040 59.282 0.758 1
1 478 . 9 1 1 A 84 84 GLU CB C 84 28.640 29.198 -0.558 1
1 480 . 9 1 1 A 84 84 GLU N N 84 117.940 119.652 -1.712 1
1 481 . 9 1 1 A 85 85 SER H H 85 7.110 7.789 -0.679 1
1 482 . 9 1 1 A 85 85 SER HA H 85 4.130 3.938 0.192 1
1 485 . 9 1 1 A 85 85 SER CA C 85 61.840 61.150 0.690 1
1 486 . 9 1 1 A 85 85 SER CB C 85 62.400 62.469 -0.069 1
1 487 . 9 1 1 A 85 85 SER N N 85 115.500 115.864 -0.364 1
1 488 . 9 1 1 A 86 86 ALA H H 86 6.860 7.911 -1.051 1
1 489 . 9 1 1 A 86 86 ALA HA H 86 4.080 4.495 -0.415 1
1 493 . 9 1 1 A 86 86 ALA CA C 86 55.210 54.881 0.329 1
1 494 . 9 1 1 A 86 86 ALA CB C 86 18.070 18.557 -0.487 1
1 495 . 9 1 1 A 86 86 ALA N N 86 122.760 122.713 0.047 1
1 496 . 9 1 1 A 87 87 ASP H H 87 7.680 8.135 -0.455 1
1 497 . 9 1 1 A 87 87 ASP HA H 87 4.390 4.335 0.055 1
1 500 . 9 1 1 A 87 87 ASP CA C 87 57.470 57.561 -0.091 1
1 501 . 9 1 1 A 87 87 ASP CB C 87 40.850 41.136 -0.286 1
1 502 . 9 1 1 A 87 87 ASP N N 87 115.980 118.992 -3.012 1
1 503 . 9 1 1 A 88 88 GLN H H 88 7.670 7.995 -0.325 1
1 504 . 9 1 1 A 88 88 GLN HA H 88 4.040 4.074 -0.034 1
1 511 . 9 1 1 A 88 88 GLN CA C 88 58.500 58.885 -0.385 1
1 512 . 9 1 1 A 88 88 GLN CB C 88 28.270 28.804 -0.534 1
1 514 . 9 1 1 A 88 88 GLN N N 88 119.920 119.036 0.884 1
1 516 . 9 1 1 A 89 89 ALA H H 89 7.950 7.573 0.377 1
1 517 . 9 1 1 A 89 89 ALA HA H 89 2.800 2.680 0.120 1
1 521 . 9 1 1 A 89 89 ALA CA C 89 54.930 54.500 0.430 1
1 522 . 9 1 1 A 89 89 ALA CB C 89 19.340 18.094 1.246 1
1 523 . 9 1 1 A 89 89 ALA N N 89 121.330 121.786 -0.456 1
1 524 . 9 1 1 A 90 90 VAL H H 90 8.030 8.144 -0.114 1
1 525 . 9 1 1 A 90 90 VAL HA H 90 3.370 3.585 -0.215 1
1 533 . 9 1 1 A 90 90 VAL CA C 90 67.090 66.347 0.743 1
1 534 . 9 1 1 A 90 90 VAL CB C 90 32.180 31.498 0.682 1
1 537 . 9 1 1 A 90 90 VAL N N 90 116.630 118.493 -1.863 1
1 538 . 9 1 1 A 91 91 ALA H H 91 7.350 7.684 -0.334 1
1 539 . 9 1 1 A 91 91 ALA HA H 91 4.130 4.068 0.062 1
1 543 . 9 1 1 A 91 91 ALA CA C 91 54.810 55.409 -0.599 1
1 544 . 9 1 1 A 91 91 ALA CB C 91 18.330 18.605 -0.275 1
1 545 . 9 1 1 A 91 91 ALA N N 91 119.620 121.841 -2.221 1
1 546 . 9 1 1 A 92 92 GLU H H 92 7.960 8.195 -0.235 1
1 547 . 9 1 1 A 92 92 GLU HA H 92 4.360 4.024 0.336 1
1 552 . 9 1 1 A 92 92 GLU CA C 92 57.930 59.636 -1.706 1
1 553 . 9 1 1 A 92 92 GLU CB C 92 30.980 30.023 0.957 1
1 555 . 9 1 1 A 92 92 GLU N N 92 113.770 117.930 -4.160 1
1 556 . 9 1 1 A 93 93 LEU H H 93 8.310 8.359 -0.049 1
1 557 . 9 1 1 A 93 93 LEU HA H 93 4.620 4.032 0.588 1
1 567 . 9 1 1 A 93 93 LEU CA C 93 55.810 57.369 -1.559 1
1 568 . 9 1 1 A 93 93 LEU CB C 93 44.130 41.214 2.916 1
1 572 . 9 1 1 A 93 93 LEU N N 93 114.550 119.934 -5.384 1
1 573 . 9 1 1 A 94 94 ASN H H 94 7.910 7.855 0.055 1
1 574 . 9 1 1 A 94 94 ASN HA H 94 4.430 4.376 0.054 1
1 577 . 9 1 1 A 94 94 ASN CA C 94 56.690 54.848 1.842 1
1 578 . 9 1 1 A 94 94 ASN N N 94 116.840 117.576 -0.736 1
1 580 . 9 1 1 A 95 95 GLY H H 95 8.890 8.866 0.024 1
1 581 . 9 1 1 A 95 95 GLY HA2 H 95 3.960 3.972 -0.012 1
1 582 . 9 1 1 A 95 95 GLY HA3 H 95 4.290 3.975 0.315 1
1 583 . 9 1 1 A 95 95 GLY CA C 95 46.090 45.088 1.002 1
1 584 . 9 1 1 A 95 95 GLY N N 95 116.350 113.909 2.441 1
1 585 . 9 1 1 A 96 96 THR H H 96 7.860 7.351 0.509 1
1 586 . 9 1 1 A 96 96 THR HA H 96 4.660 4.908 -0.248 1
1 591 . 9 1 1 A 96 96 THR CA C 96 60.880 60.158 0.722 1
1 592 . 9 1 1 A 96 96 THR CB C 96 71.090 71.770 -0.680 1
1 594 . 9 1 1 A 96 96 THR N N 96 113.920 112.149 1.771 1
1 595 . 9 1 1 A 97 97 GLN H H 97 8.360 8.796 -0.436 1
1 596 . 9 1 1 A 97 97 GLN HA H 97 5.210 5.061 0.149 1
1 602 . 9 1 1 A 97 97 GLN CA C 97 54.170 54.036 0.134 1
1 603 . 9 1 1 A 97 97 GLN CB C 97 30.470 32.450 -1.980 1
1 605 . 9 1 1 A 97 97 GLN N N 97 119.550 121.244 -1.694 1
1 607 . 9 1 1 A 98 98 VAL H H 98 8.900 9.662 -0.762 1
1 608 . 9 1 1 A 98 98 VAL HA H 98 4.200 4.418 -0.218 1
1 616 . 9 1 1 A 98 98 VAL CA C 98 61.350 61.139 0.211 1
1 617 . 9 1 1 A 98 98 VAL CB C 98 33.600 32.267 1.333 1
1 620 . 9 1 1 A 98 98 VAL N N 98 127.260 125.650 1.610 1
1 621 . 9 1 1 A 99 99 GLU H H 99 9.160 8.479 0.681 1
1 622 . 9 1 1 A 99 99 GLU HA H 99 3.820 4.084 -0.264 1
1 625 . 9 1 1 A 99 99 GLU CA C 99 57.950 59.264 -1.314 1
1 626 . 9 1 1 A 99 99 GLU CB C 99 27.110 30.050 -2.940 1
1 628 . 9 1 1 A 99 99 GLU N N 99 124.200 123.470 0.730 1
1 629 . 9 1 1 A 100 100 SER H H 100 8.330 7.948 0.382 1
1 630 . 9 1 1 A 100 100 SER HA H 100 4.280 4.667 -0.387 1
1 633 . 9 1 1 A 100 100 SER CA C 100 59.780 57.673 2.107 1
1 634 . 9 1 1 A 100 100 SER CB C 100 63.300 64.780 -1.480 1
1 635 . 9 1 1 A 100 100 SER N N 100 111.660 111.016 0.644 1
1 636 . 9 1 1 A 101 101 VAL H H 101 8.410 7.599 0.811 1
1 637 . 9 1 1 A 101 101 VAL HA H 101 4.210 4.840 -0.630 1
1 645 . 9 1 1 A 101 101 VAL CA C 101 62.080 60.330 1.750 1
1 646 . 9 1 1 A 101 101 VAL CB C 101 33.200 36.421 -3.221 1
1 649 . 9 1 1 A 101 101 VAL N N 101 124.550 120.153 4.397 1
1 650 . 9 1 1 A 102 102 GLN H H 102 8.510 8.832 -0.322 1
1 651 . 9 1 1 A 102 102 GLN HA H 102 4.590 4.955 -0.365 1
1 658 . 9 1 1 A 102 102 GLN CA C 102 55.090 54.663 0.427 1
1 659 . 9 1 1 A 102 102 GLN CB C 102 28.620 30.629 -2.009 1
1 661 . 9 1 1 A 102 102 GLN N N 102 127.320 125.514 1.806 1
1 663 . 9 1 1 A 103 103 LEU H H 103 8.710 8.753 -0.043 1
1 664 . 9 1 1 A 103 103 LEU HA H 103 5.050 5.071 -0.021 1
1 674 . 9 1 1 A 103 103 LEU CA C 103 54.740 53.313 1.427 1
1 675 . 9 1 1 A 103 103 LEU CB C 103 44.820 44.354 0.466 1
1 679 . 9 1 1 A 103 103 LEU N N 103 126.610 126.183 0.427 1
1 680 . 9 1 1 A 104 104 LYS H H 104 8.690 8.802 -0.112 1
1 681 . 9 1 1 A 104 104 LYS HA H 104 5.030 5.042 -0.012 1
1 688 . 9 1 1 A 104 104 LYS CA C 104 55.480 54.892 0.588 1
1 689 . 9 1 1 A 104 104 LYS CB C 104 34.520 35.379 -0.859 1
1 693 . 9 1 1 A 104 104 LYS N N 104 124.080 122.766 1.314 1
1 694 . 9 1 1 A 105 105 VAL H H 105 9.050 8.812 0.238 1
1 695 . 9 1 1 A 105 105 VAL HA H 105 5.190 5.063 0.127 1
1 703 . 9 1 1 A 105 105 VAL CA C 105 60.840 60.664 0.176 1
1 704 . 9 1 1 A 105 105 VAL CB C 105 35.660 34.899 0.761 1
1 707 . 9 1 1 A 105 105 VAL N N 105 123.920 123.042 0.878 1
1 708 . 9 1 1 A 106 106 ASN H H 106 9.300 8.817 0.483 1
1 709 . 9 1 1 A 106 106 ASN HA H 106 5.220 5.262 -0.042 1
1 714 . 9 1 1 A 106 106 ASN CA C 106 51.630 51.710 -0.080 1
1 715 . 9 1 1 A 106 106 ASN CB C 106 43.840 43.185 0.655 1
1 716 . 9 1 1 A 106 106 ASN N N 106 122.780 123.048 -0.268 1
1 718 . 9 1 1 A 107 107 ILE H H 107 9.050 8.851 0.199 1
1 719 . 9 1 1 A 107 107 ILE HA H 107 4.160 4.824 -0.664 1
1 729 . 9 1 1 A 107 107 ILE CA C 107 61.670 60.230 1.440 1
1 730 . 9 1 1 A 107 107 ILE CB C 107 36.140 39.804 -3.664 1
1 733 . 9 1 1 A 107 107 ILE N N 107 122.980 121.149 1.831 1
1 734 . 9 1 1 A 108 108 ALA H H 108 8.740 8.777 -0.037 1
1 735 . 9 1 1 A 108 108 ALA HA H 108 4.780 4.386 0.394 1
1 739 . 9 1 1 A 108 108 ALA CA C 108 52.620 52.335 0.285 1
1 740 . 9 1 1 A 108 108 ALA CB C 108 19.570 19.449 0.121 1
1 741 . 9 1 1 A 108 108 ALA N N 108 131.610 131.187 0.423 1
1 742 . 9 1 1 A 109 109 ARG HA H 109 4.390 4.060 0.330 1
1 746 . 9 1 1 A 109 109 ARG CA C 109 56.120 58.953 -2.833 1
1 747 . 9 1 1 A 109 109 ARG CB C 109 31.010 30.499 0.511 1
1 749 . 9 1 1 A 111 111 GLN HA H 111 4.630 4.904 -0.274 1
1 754 . 9 1 1 A 111 111 GLN CA C 111 55.160 52.216 2.944 1
1 755 . 9 1 1 A 111 111 GLN CB C 111 32.900 30.149 2.751 1
1 757 . 9 1 1 A 112 112 PRO HA H 112 4.370 4.321 0.049 1
1 761 . 9 1 1 A 112 112 PRO CA C 112 64.090 64.816 -0.726 1
1 762 . 9 1 1 A 112 112 PRO CB C 112 32.650 32.086 0.564 1
1 767 . 9 1 1 A 114 114 LEU H H 114 7.710 7.474 0.236 1
1 768 . 9 1 1 A 114 114 LEU HA H 114 4.440 4.566 -0.126 1
1 777 . 9 1 1 A 114 114 LEU CB C 114 42.640 43.296 -0.656 1
1 780 . 9 1 1 A 114 114 LEU N N 114 123.050 119.218 3.832 1
1 781 . 9 1 1 A 115 115 ASP H H 115 8.440 8.287 0.153 1
1 782 . 9 1 1 A 115 115 ASP HA H 115 4.610 4.292 0.318 1
1 785 . 9 1 1 A 115 115 ASP CA C 115 54.620 55.587 -0.967 1
1 786 . 9 1 1 A 115 115 ASP CB C 115 40.720 39.031 1.689 1
1 787 . 9 1 1 A 115 115 ASP N N 115 119.520 116.050 3.470 1
1 788 . 9 1 1 A 116 116 ALA H H 116 8.060 8.522 -0.462 1
1 789 . 9 1 1 A 116 116 ALA HA H 116 4.320 3.922 0.398 1
1 793 . 9 1 1 A 116 116 ALA CA C 116 53.080 54.403 -1.323 1
1 794 . 9 1 1 A 116 116 ALA CB C 116 19.000 18.147 0.853 1
1 795 . 9 1 1 A 116 116 ALA N N 116 123.460 113.781 9.679 1
1 796 . 9 1 1 A 117 117 ALA H H 117 8.110 8.054 0.056 1
1 797 . 9 1 1 A 117 117 ALA HA H 117 4.640 4.528 0.112 1
1 801 . 9 1 1 A 117 117 ALA CA C 117 52.600 52.995 -0.395 1
1 802 . 9 1 1 A 117 117 ALA CB C 117 19.360 19.935 -0.575 1
1 803 . 9 1 1 A 117 117 ALA N N 117 121.130 117.771 3.359 1
1 804 . 9 1 1 A 118 118 THR H H 118 8.060 8.160 -0.100 1
1 805 . 9 1 1 A 118 118 THR HA H 118 4.430 4.294 0.136 1
1 810 . 9 1 1 A 118 118 THR CA C 118 62.130 63.577 -1.447 1
1 811 . 9 1 1 A 118 118 THR CB C 118 69.840 70.101 -0.261 1
1 813 . 9 1 1 A 118 118 THR N N 118 112.100 109.648 2.452 1
1 814 . 9 1 1 A 119 119 GLY H H 119 8.430 7.873 0.557 1
1 815 . 9 1 1 A 119 119 GLY N N 119 111.230 110.490 0.740 1
1 816 . 9 1 1 A 120 120 LYS H H 120 8.200 8.425 -0.225 1
1 817 . 9 1 1 A 120 120 LYS HA H 120 4.510 4.574 -0.064 1
1 821 . 9 1 1 A 120 120 LYS CA C 120 56.110 55.813 0.297 1
1 822 . 9 1 1 A 120 120 LYS CB C 120 33.270 33.542 -0.272 1
1 823 . 9 1 1 A 120 120 LYS N N 120 121.180 122.615 -1.435 1
1 17 . 10 1 1 A 37 37 ARG H H 37 8.370 8.523 -0.153 1
1 18 . 10 1 1 A 37 37 ARG N N 37 121.030 121.798 -0.768 1
1 19 . 10 1 1 A 38 38 LYS H H 38 8.150 8.450 -0.300 1
1 20 . 10 1 1 A 38 38 LYS HA H 38 4.750 4.667 0.083 1
1 25 . 10 1 1 A 38 38 LYS CA C 38 54.190 55.669 -1.479 1
1 26 . 10 1 1 A 38 38 LYS CB C 38 35.040 33.899 1.141 1
1 27 . 10 1 1 A 38 38 LYS N N 38 119.860 121.023 -1.163 1
1 28 . 10 1 1 A 39 39 GLY H H 39 8.710 8.389 0.321 1
1 29 . 10 1 1 A 39 39 GLY HA3 H 39 4.050 4.234 -0.184 1
1 30 . 10 1 1 A 39 39 GLY CA C 39 45.460 44.566 0.894 1
1 31 . 10 1 1 A 39 39 GLY N N 39 107.990 108.208 -0.218 1
1 32 . 10 1 1 A 40 40 ASN H H 40 8.300 8.789 -0.489 1
1 33 . 10 1 1 A 40 40 ASN HA H 40 4.850 5.167 -0.317 1
1 38 . 10 1 1 A 40 40 ASN CA C 40 54.110 53.004 1.106 1
1 39 . 10 1 1 A 40 40 ASN CB C 40 37.840 40.787 -2.947 1
1 40 . 10 1 1 A 40 40 ASN N N 40 115.650 117.893 -2.243 1
1 42 . 10 1 1 A 41 41 THR HA H 41 5.400 4.733 0.667 1
1 47 . 10 1 1 A 41 41 THR CA C 41 63.410 63.478 -0.068 1
1 48 . 10 1 1 A 41 41 THR CB C 41 69.930 69.760 0.170 1
1 50 . 10 1 1 A 42 42 LEU H H 42 9.900 8.914 0.986 1
1 51 . 10 1 1 A 42 42 LEU HA H 42 5.090 5.163 -0.073 1
1 61 . 10 1 1 A 42 42 LEU CA C 42 53.260 53.706 -0.446 1
1 62 . 10 1 1 A 42 42 LEU CB C 42 43.590 44.954 -1.364 1
1 66 . 10 1 1 A 42 42 LEU N N 42 127.870 125.763 2.107 1
1 67 . 10 1 1 A 43 43 TYR H H 43 9.190 8.900 0.290 1
1 68 . 10 1 1 A 43 43 TYR HA H 43 4.420 4.721 -0.301 1
1 71 . 10 1 1 A 43 43 TYR CB C 43 40.310 39.946 0.364 1
1 72 . 10 1 1 A 43 43 TYR N N 43 124.140 125.141 -1.001 1
1 73 . 10 1 1 A 44 44 VAL H H 44 7.980 8.368 -0.388 1
1 74 . 10 1 1 A 44 44 VAL HA H 44 4.810 4.883 -0.073 1
1 82 . 10 1 1 A 44 44 VAL CA C 44 59.320 60.815 -1.495 1
1 83 . 10 1 1 A 44 44 VAL CB C 44 34.360 34.247 0.113 1
1 86 . 10 1 1 A 44 44 VAL N N 44 127.360 127.718 -0.358 1
1 87 . 10 1 1 A 45 45 TYR H H 45 9.020 8.792 0.228 1
1 88 . 10 1 1 A 45 45 TYR HA H 45 4.980 5.376 -0.396 1
1 94 . 10 1 1 A 45 45 TYR CA C 45 55.680 55.595 0.085 1
1 95 . 10 1 1 A 45 45 TYR CB C 45 42.210 42.203 0.007 1
1 96 . 10 1 1 A 45 45 TYR N N 45 126.390 128.541 -2.151 1
1 97 . 10 1 1 A 46 46 GLY H H 46 7.510 7.164 0.346 1
1 98 . 10 1 1 A 46 46 GLY HA2 H 46 3.830 4.003 -0.173 1
1 99 . 10 1 1 A 46 46 GLY HA3 H 46 3.830 4.004 -0.174 1
1 100 . 10 1 1 A 46 46 GLY CA C 46 45.360 45.892 -0.532 1
1 101 . 10 1 1 A 46 46 GLY N N 46 114.220 111.089 3.131 1
1 102 . 10 1 1 A 47 47 GLU H H 47 8.750 8.613 0.137 1
1 103 . 10 1 1 A 47 47 GLU HA H 47 3.990 4.565 -0.575 1
1 108 . 10 1 1 A 47 47 GLU CA C 47 56.720 54.795 1.925 1
1 109 . 10 1 1 A 47 47 GLU CB C 47 30.460 32.432 -1.972 1
1 111 . 10 1 1 A 47 47 GLU N N 47 123.880 119.754 4.126 1
1 112 . 10 1 1 A 48 48 ASP H H 48 8.540 8.691 -0.151 1
1 113 . 10 1 1 A 48 48 ASP HA H 48 4.250 4.068 0.182 1
1 116 . 10 1 1 A 48 48 ASP CA C 48 55.210 54.909 0.301 1
1 117 . 10 1 1 A 48 48 ASP CB C 48 39.150 39.319 -0.169 1
1 118 . 10 1 1 A 48 48 ASP N N 48 117.200 117.992 -0.792 1
1 119 . 10 1 1 A 49 49 MET H H 49 8.190 7.974 0.216 1
1 120 . 10 1 1 A 49 49 MET HA H 49 4.120 4.597 -0.477 1
1 126 . 10 1 1 A 49 49 MET CA C 49 57.510 54.895 2.615 1
1 127 . 10 1 1 A 49 49 MET CB C 49 34.620 32.941 1.679 1
1 129 . 10 1 1 A 49 49 MET N N 49 114.560 117.408 -2.848 1
1 130 . 10 1 1 A 50 50 THR H H 50 6.510 8.461 -1.951 1
1 131 . 10 1 1 A 50 50 THR HA H 50 5.020 4.965 0.055 1
1 136 . 10 1 1 A 50 50 THR CA C 50 57.960 58.697 -0.737 1
1 137 . 10 1 1 A 50 50 THR CB C 50 70.150 70.172 -0.022 1
1 139 . 10 1 1 A 50 50 THR N N 50 108.060 114.835 -6.775 1
1 140 . 10 1 1 A 51 51 PRO HA H 51 4.340 4.263 0.077 1
1 146 . 10 1 1 A 51 51 PRO CA C 51 65.790 65.702 0.088 1
1 147 . 10 1 1 A 51 51 PRO CB C 51 31.780 31.778 0.002 1
1 150 . 10 1 1 A 52 52 THR H H 52 7.640 7.735 -0.095 1
1 151 . 10 1 1 A 52 52 THR HA H 52 3.980 4.021 -0.041 1
1 156 . 10 1 1 A 52 52 THR CA C 52 66.160 65.662 0.498 1
1 157 . 10 1 1 A 52 52 THR CB C 52 68.430 68.182 0.248 1
1 159 . 10 1 1 A 52 52 THR N N 52 111.520 111.690 -0.170 1
1 160 . 10 1 1 A 53 53 LEU H H 53 7.810 8.081 -0.271 1
1 161 . 10 1 1 A 53 53 LEU HA H 53 4.130 4.088 0.042 1
1 171 . 10 1 1 A 53 53 LEU CA C 53 58.360 58.272 0.088 1
1 172 . 10 1 1 A 53 53 LEU CB C 53 42.970 41.581 1.389 1
1 176 . 10 1 1 A 53 53 LEU N N 53 125.410 121.834 3.576 1
1 177 . 10 1 1 A 54 54 LEU H H 54 7.840 8.079 -0.239 1
1 178 . 10 1 1 A 54 54 LEU HA H 54 4.260 4.049 0.211 1
1 188 . 10 1 1 A 54 54 LEU CA C 54 57.580 58.319 -0.739 1
1 189 . 10 1 1 A 54 54 LEU CB C 54 42.330 41.281 1.049 1
1 193 . 10 1 1 A 54 54 LEU N N 54 117.150 118.470 -1.320 1
1 194 . 10 1 1 A 55 55 ARG H H 55 9.020 8.825 0.195 1
1 195 . 10 1 1 A 55 55 ARG HA H 55 3.880 4.032 -0.152 1
1 202 . 10 1 1 A 55 55 ARG CA C 55 60.890 59.930 0.960 1
1 203 . 10 1 1 A 55 55 ARG CB C 55 29.580 29.904 -0.324 1
1 206 . 10 1 1 A 55 55 ARG N N 55 120.050 119.370 0.680 1
1 207 . 10 1 1 A 56 56 GLY H H 56 8.180 8.144 0.036 1
1 208 . 10 1 1 A 56 56 GLY HA2 H 56 3.940 3.887 0.053 1
1 209 . 10 1 1 A 56 56 GLY HA3 H 56 4.100 3.906 0.194 1
1 210 . 10 1 1 A 56 56 GLY CA C 56 47.210 46.992 0.218 1
1 211 . 10 1 1 A 56 56 GLY N N 56 106.700 107.194 -0.494 1
1 212 . 10 1 1 A 57 57 ALA H H 57 7.830 7.998 -0.168 1
1 213 . 10 1 1 A 57 57 ALA HA H 57 4.360 4.095 0.265 1
1 217 . 10 1 1 A 57 57 ALA CA C 57 53.590 54.345 -0.755 1
1 218 . 10 1 1 A 57 57 ALA CB C 57 19.050 18.318 0.732 1
1 219 . 10 1 1 A 57 57 ALA N N 57 120.270 124.475 -4.205 1
1 220 . 10 1 1 A 58 58 PHE H H 58 8.600 8.358 0.242 1
1 221 . 10 1 1 A 58 58 PHE HA H 58 4.790 5.634 -0.844 1
1 227 . 10 1 1 A 58 58 PHE CA C 58 60.210 57.659 2.551 1
1 228 . 10 1 1 A 58 58 PHE CB C 58 38.390 39.578 -1.188 1
1 229 . 10 1 1 A 58 58 PHE N N 58 110.250 116.672 -6.422 1
1 230 . 10 1 1 A 59 59 SER H H 59 8.610 7.895 0.715 1
1 231 . 10 1 1 A 59 59 SER HA H 59 4.810 4.406 0.404 1
1 234 . 10 1 1 A 59 59 SER CA C 59 63.540 63.160 0.380 1
1 235 . 10 1 1 A 59 59 SER CB C 59 62.910 62.840 0.070 1
1 236 . 10 1 1 A 59 59 SER N N 59 122.860 116.205 6.655 1
1 237 . 10 1 1 A 60 60 PRO HA H 60 4.280 4.313 -0.033 1
1 244 . 10 1 1 A 60 60 PRO CA C 60 65.680 65.675 0.005 1
1 245 . 10 1 1 A 60 60 PRO CB C 60 31.420 30.390 1.030 1
1 248 . 10 1 1 A 61 61 PHE H H 61 6.850 8.641 -1.791 1
1 249 . 10 1 1 A 61 61 PHE HA H 61 4.510 4.207 0.303 1
1 257 . 10 1 1 A 61 61 PHE CA C 61 58.310 60.453 -2.143 1
1 258 . 10 1 1 A 61 61 PHE CB C 61 38.920 38.837 0.083 1
1 259 . 10 1 1 A 61 61 PHE N N 61 109.700 116.798 -7.098 1
1 260 . 10 1 1 A 62 62 GLY H H 62 7.800 7.545 0.255 1
1 261 . 10 1 1 A 62 62 GLY HA2 H 62 4.090 3.925 0.165 1
1 262 . 10 1 1 A 62 62 GLY HA3 H 62 4.290 4.088 0.202 1
1 263 . 10 1 1 A 62 62 GLY CA C 62 45.290 45.907 -0.617 1
1 264 . 10 1 1 A 62 62 GLY N N 62 106.520 103.880 2.640 1
1 265 . 10 1 1 A 63 63 ASN H H 63 8.520 8.581 -0.061 1
1 266 . 10 1 1 A 63 63 ASN HA H 63 4.920 5.298 -0.378 1
1 271 . 10 1 1 A 63 63 ASN CA C 63 52.930 52.918 0.012 1
1 272 . 10 1 1 A 63 63 ASN CB C 63 38.630 40.393 -1.763 1
1 273 . 10 1 1 A 63 63 ASN N N 63 117.020 118.684 -1.664 1
1 275 . 10 1 1 A 64 64 ILE H H 64 8.750 8.994 -0.244 1
1 276 . 10 1 1 A 64 64 ILE HA H 64 4.100 4.863 -0.763 1
1 286 . 10 1 1 A 64 64 ILE CA C 64 61.940 60.325 1.615 1
1 287 . 10 1 1 A 64 64 ILE CB C 64 38.780 39.801 -1.021 1
1 291 . 10 1 1 A 64 64 ILE N N 64 127.930 122.655 5.275 1
1 292 . 10 1 1 A 65 65 ILE H H 65 8.910 8.557 0.353 1
1 293 . 10 1 1 A 65 65 ILE HA H 65 4.490 4.318 0.172 1
1 303 . 10 1 1 A 65 65 ILE CA C 65 61.310 61.709 -0.399 1
1 304 . 10 1 1 A 65 65 ILE CB C 65 38.470 38.763 -0.293 1
1 308 . 10 1 1 A 65 65 ILE N N 65 124.530 123.569 0.961 1
1 309 . 10 1 1 A 66 66 ASP H H 66 7.520 7.835 -0.315 1
1 310 . 10 1 1 A 66 66 ASP HA H 66 4.700 4.943 -0.243 1
1 313 . 10 1 1 A 66 66 ASP CA C 66 55.520 53.941 1.579 1
1 314 . 10 1 1 A 66 66 ASP CB C 66 45.290 41.840 3.450 1
1 315 . 10 1 1 A 66 66 ASP N N 66 119.140 121.234 -2.094 1
1 316 . 10 1 1 A 67 67 LEU H H 67 8.230 8.682 -0.452 1
1 317 . 10 1 1 A 67 67 LEU HA H 67 4.980 4.770 0.210 1
1 326 . 10 1 1 A 67 67 LEU CA C 67 54.980 53.875 1.105 1
1 327 . 10 1 1 A 67 67 LEU CB C 67 44.440 43.964 0.476 1
1 330 . 10 1 1 A 67 67 LEU N N 67 127.890 129.016 -1.126 1
1 331 . 10 1 1 A 68 68 SER H H 68 8.810 10.011 -1.201 1
1 332 . 10 1 1 A 68 68 SER HA H 68 4.970 5.423 -0.453 1
1 335 . 10 1 1 A 68 68 SER CA C 68 57.170 57.279 -0.109 1
1 336 . 10 1 1 A 68 68 SER CB C 68 65.320 66.306 -0.986 1
1 337 . 10 1 1 A 68 68 SER N N 68 122.560 124.658 -2.098 1
1 338 . 10 1 1 A 69 69 MET H H 69 9.050 8.990 0.060 1
1 339 . 10 1 1 A 69 69 MET HA H 69 4.740 5.241 -0.501 1
1 345 . 10 1 1 A 69 69 MET CA C 69 54.520 54.250 0.270 1
1 348 . 10 1 1 A 69 69 MET N N 69 122.420 123.002 -0.582 1
1 349 . 10 1 1 A 70 70 ASP H H 70 8.620 8.844 -0.224 1
1 350 . 10 1 1 A 70 70 ASP HA H 70 5.140 5.258 -0.118 1
1 353 . 10 1 1 A 70 70 ASP CA C 70 51.410 50.860 0.550 1
1 354 . 10 1 1 A 70 70 ASP CB C 70 40.930 42.303 -1.373 1
1 355 . 10 1 1 A 70 70 ASP N N 70 120.620 122.155 -1.535 1
1 356 . 10 1 1 A 71 71 PRO HA H 71 4.760 4.375 0.385 1
1 359 . 10 1 1 A 71 71 PRO CA C 71 66.380 64.391 1.989 1
1 361 . 10 1 1 A 72 72 PRO HA H 72 4.520 4.365 0.155 1
1 368 . 10 1 1 A 72 72 PRO CA C 72 65.750 65.213 0.537 1
1 369 . 10 1 1 A 72 72 PRO CB C 72 31.570 31.327 0.243 1
1 371 . 10 1 1 A 73 73 ARG H H 73 7.360 7.534 -0.174 1
1 372 . 10 1 1 A 73 73 ARG HA H 73 4.570 4.514 0.056 1
1 378 . 10 1 1 A 73 73 ARG CA C 73 55.160 55.451 -0.291 1
1 379 . 10 1 1 A 73 73 ARG CB C 73 29.000 30.892 -1.892 1
1 382 . 10 1 1 A 73 73 ARG N N 73 114.560 116.456 -1.896 1
1 383 . 10 1 1 A 74 74 ASN H H 74 8.440 7.979 0.461 1
1 384 . 10 1 1 A 74 74 ASN HA H 74 4.270 4.152 0.118 1
1 389 . 10 1 1 A 74 74 ASN CA C 74 53.830 54.514 -0.684 1
1 390 . 10 1 1 A 74 74 ASN CB C 74 37.500 36.534 0.966 1
1 391 . 10 1 1 A 74 74 ASN N N 74 115.460 115.162 0.298 1
1 393 . 10 1 1 A 75 75 CYS H H 75 7.270 7.542 -0.272 1
1 394 . 10 1 1 A 75 75 CYS HA H 75 5.730 5.275 0.455 1
1 396 . 10 1 1 A 75 75 CYS CA C 75 55.420 56.794 -1.374 1
1 397 . 10 1 1 A 75 75 CYS CB C 75 32.640 30.759 1.881 1
1 398 . 10 1 1 A 75 75 CYS N N 75 127.180 113.181 13.999 1
1 399 . 10 1 1 A 76 76 ALA H H 76 8.590 8.528 0.062 1
1 403 . 10 1 1 A 76 76 ALA CB C 76 24.400 22.536 1.864 1
1 404 . 10 1 1 A 76 76 ALA N N 76 122.120 123.951 -1.831 1
1 405 . 10 1 1 A 77 77 PHE H H 77 8.780 9.741 -0.961 1
1 406 . 10 1 1 A 77 77 PHE HA H 77 5.620 5.480 0.140 1
1 407 . 10 1 1 A 77 77 PHE CA C 77 55.850 56.626 -0.776 1
1 408 . 10 1 1 A 77 77 PHE N N 77 115.390 118.482 -3.092 1
1 409 . 10 1 1 A 78 78 VAL H H 78 8.580 8.562 0.018 1
1 410 . 10 1 1 A 78 78 VAL HA H 78 4.300 4.768 -0.468 1
1 418 . 10 1 1 A 78 78 VAL CA C 78 60.960 59.279 1.681 1
1 419 . 10 1 1 A 78 78 VAL CB C 78 34.360 33.717 0.643 1
1 422 . 10 1 1 A 78 78 VAL N N 78 126.440 123.822 2.618 1
1 423 . 10 1 1 A 79 79 THR H H 79 8.960 8.367 0.593 1
1 424 . 10 1 1 A 79 79 THR HA H 79 5.330 5.257 0.073 1
1 429 . 10 1 1 A 79 79 THR CA C 79 61.940 61.888 0.052 1
1 430 . 10 1 1 A 79 79 THR CB C 79 69.910 70.049 -0.139 1
1 432 . 10 1 1 A 79 79 THR N N 79 123.990 123.087 0.903 1
1 433 . 10 1 1 A 80 80 TYR H H 80 8.880 9.519 -0.639 1
1 434 . 10 1 1 A 80 80 TYR HA H 80 5.400 4.910 0.490 1
1 437 . 10 1 1 A 80 80 TYR CA C 80 57.660 57.393 0.267 1
1 438 . 10 1 1 A 80 80 TYR CB C 80 42.220 40.104 2.116 1
1 439 . 10 1 1 A 80 80 TYR N N 80 126.670 126.220 0.450 1
1 440 . 10 1 1 A 81 81 GLU H H 81 8.490 8.841 -0.351 1
1 441 . 10 1 1 A 81 81 GLU HA H 81 4.110 4.063 0.047 1
1 446 . 10 1 1 A 81 81 GLU CA C 81 59.290 60.172 -0.882 1
1 447 . 10 1 1 A 81 81 GLU CB C 81 31.210 29.637 1.573 1
1 449 . 10 1 1 A 81 81 GLU N N 81 119.690 126.105 -6.415 1
1 450 . 10 1 1 A 82 82 LYS H H 82 8.460 8.239 0.221 1
1 451 . 10 1 1 A 82 82 LYS HA H 82 5.020 4.754 0.266 1
1 457 . 10 1 1 A 82 82 LYS CA C 82 54.140 54.662 -0.522 1
1 458 . 10 1 1 A 82 82 LYS CB C 82 34.420 35.329 -0.909 1
1 462 . 10 1 1 A 82 82 LYS N N 82 113.920 117.212 -3.292 1
1 463 . 10 1 1 A 83 83 MET H H 83 9.100 8.845 0.255 1
1 464 . 10 1 1 A 83 83 MET HA H 83 4.070 4.419 -0.349 1
1 468 . 10 1 1 A 83 83 MET CA C 83 59.570 57.366 2.204 1
1 469 . 10 1 1 A 83 83 MET CB C 83 32.420 31.861 0.559 1
1 471 . 10 1 1 A 83 83 MET N N 83 122.530 121.872 0.658 1
1 472 . 10 1 1 A 84 84 GLU H H 84 9.690 7.780 1.910 1
1 473 . 10 1 1 A 84 84 GLU HA H 84 4.240 4.085 0.155 1
1 477 . 10 1 1 A 84 84 GLU CA C 84 60.040 59.203 0.837 1
1 478 . 10 1 1 A 84 84 GLU CB C 84 28.640 29.722 -1.082 1
1 480 . 10 1 1 A 84 84 GLU N N 84 117.940 119.963 -2.023 1
1 481 . 10 1 1 A 85 85 SER H H 85 7.110 8.116 -1.006 1
1 482 . 10 1 1 A 85 85 SER HA H 85 4.130 4.031 0.099 1
1 485 . 10 1 1 A 85 85 SER CA C 85 61.840 61.513 0.327 1
1 486 . 10 1 1 A 85 85 SER CB C 85 62.400 62.560 -0.160 1
1 487 . 10 1 1 A 85 85 SER N N 85 115.500 116.298 -0.798 1
1 488 . 10 1 1 A 86 86 ALA H H 86 6.860 7.811 -0.951 1
1 489 . 10 1 1 A 86 86 ALA HA H 86 4.080 4.381 -0.301 1
1 493 . 10 1 1 A 86 86 ALA CA C 86 55.210 54.843 0.367 1
1 494 . 10 1 1 A 86 86 ALA CB C 86 18.070 18.483 -0.413 1
1 495 . 10 1 1 A 86 86 ALA N N 86 122.760 123.128 -0.368 1
1 496 . 10 1 1 A 87 87 ASP H H 87 7.680 8.059 -0.379 1
1 497 . 10 1 1 A 87 87 ASP HA H 87 4.390 4.390 0.000 1
1 500 . 10 1 1 A 87 87 ASP CA C 87 57.470 57.138 0.332 1
1 501 . 10 1 1 A 87 87 ASP CB C 87 40.850 40.889 -0.039 1
1 502 . 10 1 1 A 87 87 ASP N N 87 115.980 118.131 -2.151 1
1 503 . 10 1 1 A 88 88 GLN H H 88 7.670 7.843 -0.173 1
1 504 . 10 1 1 A 88 88 GLN HA H 88 4.040 4.136 -0.096 1
1 511 . 10 1 1 A 88 88 GLN CA C 88 58.500 58.846 -0.346 1
1 512 . 10 1 1 A 88 88 GLN CB C 88 28.270 28.634 -0.364 1
1 514 . 10 1 1 A 88 88 GLN N N 88 119.920 119.565 0.355 1
1 516 . 10 1 1 A 89 89 ALA H H 89 7.950 7.649 0.301 1
1 517 . 10 1 1 A 89 89 ALA HA H 89 2.800 2.428 0.372 1
1 521 . 10 1 1 A 89 89 ALA CA C 89 54.930 54.336 0.594 1
1 522 . 10 1 1 A 89 89 ALA CB C 89 19.340 18.315 1.025 1
1 523 . 10 1 1 A 89 89 ALA N N 89 121.330 121.746 -0.416 1
1 524 . 10 1 1 A 90 90 VAL H H 90 8.030 8.372 -0.342 1
1 525 . 10 1 1 A 90 90 VAL HA H 90 3.370 3.538 -0.168 1
1 533 . 10 1 1 A 90 90 VAL CA C 90 67.090 66.528 0.562 1
1 534 . 10 1 1 A 90 90 VAL CB C 90 32.180 31.476 0.704 1
1 537 . 10 1 1 A 90 90 VAL N N 90 116.630 118.727 -2.097 1
1 538 . 10 1 1 A 91 91 ALA H H 91 7.350 7.812 -0.462 1
1 539 . 10 1 1 A 91 91 ALA HA H 91 4.130 4.113 0.017 1
1 543 . 10 1 1 A 91 91 ALA CA C 91 54.810 55.150 -0.340 1
1 544 . 10 1 1 A 91 91 ALA CB C 91 18.330 18.239 0.091 1
1 545 . 10 1 1 A 91 91 ALA N N 91 119.620 121.765 -2.145 1
1 546 . 10 1 1 A 92 92 GLU H H 92 7.960 7.663 0.297 1
1 547 . 10 1 1 A 92 92 GLU HA H 92 4.360 4.168 0.192 1
1 552 . 10 1 1 A 92 92 GLU CA C 92 57.930 58.602 -0.672 1
1 553 . 10 1 1 A 92 92 GLU CB C 92 30.980 29.902 1.078 1
1 555 . 10 1 1 A 92 92 GLU N N 92 113.770 118.276 -4.506 1
1 556 . 10 1 1 A 93 93 LEU H H 93 8.310 7.996 0.314 1
1 557 . 10 1 1 A 93 93 LEU HA H 93 4.620 4.125 0.495 1
1 567 . 10 1 1 A 93 93 LEU CA C 93 55.810 56.827 -1.017 1
1 568 . 10 1 1 A 93 93 LEU CB C 93 44.130 42.264 1.866 1
1 572 . 10 1 1 A 93 93 LEU N N 93 114.550 118.533 -3.983 1
1 573 . 10 1 1 A 94 94 ASN H H 94 7.910 7.887 0.023 1
1 574 . 10 1 1 A 94 94 ASN HA H 94 4.430 4.348 0.082 1
1 577 . 10 1 1 A 94 94 ASN CA C 94 56.690 54.942 1.748 1
1 578 . 10 1 1 A 94 94 ASN N N 94 116.840 117.727 -0.887 1
1 580 . 10 1 1 A 95 95 GLY H H 95 8.890 8.729 0.161 1
1 581 . 10 1 1 A 95 95 GLY HA2 H 95 3.960 3.889 0.071 1
1 582 . 10 1 1 A 95 95 GLY HA3 H 95 4.290 3.891 0.399 1
1 583 . 10 1 1 A 95 95 GLY CA C 95 46.090 45.976 0.114 1
1 584 . 10 1 1 A 95 95 GLY N N 95 116.350 113.617 2.733 1
1 585 . 10 1 1 A 96 96 THR H H 96 7.860 7.658 0.202 1
1 586 . 10 1 1 A 96 96 THR HA H 96 4.660 4.987 -0.327 1
1 591 . 10 1 1 A 96 96 THR CA C 96 60.880 59.348 1.532 1
1 592 . 10 1 1 A 96 96 THR CB C 96 71.090 72.469 -1.379 1
1 594 . 10 1 1 A 96 96 THR N N 96 113.920 110.510 3.410 1
1 595 . 10 1 1 A 97 97 GLN H H 97 8.360 8.866 -0.506 1
1 596 . 10 1 1 A 97 97 GLN HA H 97 5.210 5.181 0.029 1
1 602 . 10 1 1 A 97 97 GLN CA C 97 54.170 54.089 0.081 1
1 603 . 10 1 1 A 97 97 GLN CB C 97 30.470 32.340 -1.870 1
1 605 . 10 1 1 A 97 97 GLN N N 97 119.550 122.152 -2.602 1
1 607 . 10 1 1 A 98 98 VAL H H 98 8.900 9.170 -0.270 1
1 608 . 10 1 1 A 98 98 VAL HA H 98 4.200 4.386 -0.186 1
1 616 . 10 1 1 A 98 98 VAL CA C 98 61.350 61.479 -0.129 1
1 617 . 10 1 1 A 98 98 VAL CB C 98 33.600 32.491 1.109 1
1 620 . 10 1 1 A 98 98 VAL N N 98 127.260 125.938 1.322 1
1 621 . 10 1 1 A 99 99 GLU H H 99 9.160 8.625 0.535 1
1 622 . 10 1 1 A 99 99 GLU HA H 99 3.820 4.055 -0.235 1
1 625 . 10 1 1 A 99 99 GLU CA C 99 57.950 59.390 -1.440 1
1 626 . 10 1 1 A 99 99 GLU CB C 99 27.110 29.898 -2.788 1
1 628 . 10 1 1 A 99 99 GLU N N 99 124.200 123.417 0.783 1
1 629 . 10 1 1 A 100 100 SER H H 100 8.330 7.947 0.383 1
1 630 . 10 1 1 A 100 100 SER HA H 100 4.280 4.626 -0.346 1
1 633 . 10 1 1 A 100 100 SER CA C 100 59.780 57.721 2.059 1
1 634 . 10 1 1 A 100 100 SER CB C 100 63.300 64.562 -1.262 1
1 635 . 10 1 1 A 100 100 SER N N 100 111.660 111.031 0.629 1
1 636 . 10 1 1 A 101 101 VAL H H 101 8.410 7.611 0.799 1
1 637 . 10 1 1 A 101 101 VAL HA H 101 4.210 4.774 -0.564 1
1 645 . 10 1 1 A 101 101 VAL CA C 101 62.080 59.803 2.277 1
1 646 . 10 1 1 A 101 101 VAL CB C 101 33.200 36.867 -3.667 1
1 649 . 10 1 1 A 101 101 VAL N N 101 124.550 120.173 4.377 1
1 650 . 10 1 1 A 102 102 GLN H H 102 8.510 8.746 -0.236 1
1 651 . 10 1 1 A 102 102 GLN HA H 102 4.590 5.088 -0.498 1
1 658 . 10 1 1 A 102 102 GLN CA C 102 55.090 54.194 0.896 1
1 659 . 10 1 1 A 102 102 GLN CB C 102 28.620 32.147 -3.527 1
1 661 . 10 1 1 A 102 102 GLN N N 102 127.320 122.082 5.238 1
1 663 . 10 1 1 A 103 103 LEU H H 103 8.710 8.739 -0.029 1
1 664 . 10 1 1 A 103 103 LEU HA H 103 5.050 5.545 -0.495 1
1 674 . 10 1 1 A 103 103 LEU CA C 103 54.740 53.457 1.283 1
1 675 . 10 1 1 A 103 103 LEU CB C 103 44.820 45.406 -0.586 1
1 679 . 10 1 1 A 103 103 LEU N N 103 126.610 124.747 1.863 1
1 680 . 10 1 1 A 104 104 LYS H H 104 8.690 9.205 -0.515 1
1 681 . 10 1 1 A 104 104 LYS HA H 104 5.030 5.026 0.004 1
1 688 . 10 1 1 A 104 104 LYS CA C 104 55.480 55.016 0.464 1
1 689 . 10 1 1 A 104 104 LYS CB C 104 34.520 34.957 -0.437 1
1 693 . 10 1 1 A 104 104 LYS N N 104 124.080 124.487 -0.407 1
1 694 . 10 1 1 A 105 105 VAL H H 105 9.050 8.882 0.168 1
1 695 . 10 1 1 A 105 105 VAL HA H 105 5.190 5.112 0.078 1
1 703 . 10 1 1 A 105 105 VAL CA C 105 60.840 61.166 -0.326 1
1 704 . 10 1 1 A 105 105 VAL CB C 105 35.660 33.717 1.943 1
1 707 . 10 1 1 A 105 105 VAL N N 105 123.920 125.128 -1.208 1
1 708 . 10 1 1 A 106 106 ASN H H 106 9.300 9.518 -0.218 1
1 709 . 10 1 1 A 106 106 ASN HA H 106 5.220 5.318 -0.098 1
1 714 . 10 1 1 A 106 106 ASN CA C 106 51.630 51.465 0.165 1
1 715 . 10 1 1 A 106 106 ASN CB C 106 43.840 43.099 0.741 1
1 716 . 10 1 1 A 106 106 ASN N N 106 122.780 124.127 -1.347 1
1 718 . 10 1 1 A 107 107 ILE H H 107 9.050 8.622 0.428 1
1 719 . 10 1 1 A 107 107 ILE HA H 107 4.160 4.937 -0.777 1
1 729 . 10 1 1 A 107 107 ILE CA C 107 61.670 60.046 1.624 1
1 730 . 10 1 1 A 107 107 ILE CB C 107 36.140 39.839 -3.699 1
1 733 . 10 1 1 A 107 107 ILE N N 107 122.980 120.402 2.578 1
1 734 . 10 1 1 A 108 108 ALA H H 108 8.740 8.842 -0.102 1
1 735 . 10 1 1 A 108 108 ALA HA H 108 4.780 4.821 -0.041 1
1 739 . 10 1 1 A 108 108 ALA CA C 108 52.620 50.258 2.362 1
1 740 . 10 1 1 A 108 108 ALA CB C 108 19.570 21.939 -2.369 1
1 741 . 10 1 1 A 108 108 ALA N N 108 131.610 129.782 1.828 1
1 742 . 10 1 1 A 109 109 ARG HA H 109 4.390 4.219 0.171 1
1 746 . 10 1 1 A 109 109 ARG CA C 109 56.120 56.597 -0.477 1
1 747 . 10 1 1 A 109 109 ARG CB C 109 31.010 30.593 0.417 1
1 749 . 10 1 1 A 111 111 GLN HA H 111 4.630 4.528 0.102 1
1 754 . 10 1 1 A 111 111 GLN CA C 111 55.160 54.324 0.836 1
1 755 . 10 1 1 A 111 111 GLN CB C 111 32.900 28.903 3.997 1
1 757 . 10 1 1 A 112 112 PRO HA H 112 4.370 4.344 0.026 1
1 761 . 10 1 1 A 112 112 PRO CA C 112 64.090 64.896 -0.806 1
1 762 . 10 1 1 A 112 112 PRO CB C 112 32.650 32.107 0.543 1
1 767 . 10 1 1 A 114 114 LEU H H 114 7.710 7.772 -0.062 1
1 768 . 10 1 1 A 114 114 LEU HA H 114 4.440 4.571 -0.131 1
1 777 . 10 1 1 A 114 114 LEU CB C 114 42.640 43.157 -0.517 1
1 780 . 10 1 1 A 114 114 LEU N N 114 123.050 119.530 3.520 1
1 781 . 10 1 1 A 115 115 ASP H H 115 8.440 8.566 -0.126 1
1 782 . 10 1 1 A 115 115 ASP HA H 115 4.610 4.797 -0.187 1
1 785 . 10 1 1 A 115 115 ASP CA C 115 54.620 55.569 -0.949 1
1 786 . 10 1 1 A 115 115 ASP CB C 115 40.720 39.052 1.668 1
1 787 . 10 1 1 A 115 115 ASP N N 115 119.520 114.926 4.594 1
1 788 . 10 1 1 A 116 116 ALA H H 116 8.060 8.269 -0.209 1
1 789 . 10 1 1 A 116 116 ALA HA H 116 4.320 4.430 -0.110 1
1 793 . 10 1 1 A 116 116 ALA CA C 116 53.080 54.841 -1.761 1
1 794 . 10 1 1 A 116 116 ALA CB C 116 19.000 17.965 1.035 1
1 795 . 10 1 1 A 116 116 ALA N N 116 123.460 113.764 9.696 1
1 796 . 10 1 1 A 117 117 ALA H H 117 8.110 8.163 -0.053 1
1 797 . 10 1 1 A 117 117 ALA HA H 117 4.640 4.532 0.108 1
1 801 . 10 1 1 A 117 117 ALA CA C 117 52.600 51.608 0.992 1
1 802 . 10 1 1 A 117 117 ALA CB C 117 19.360 19.941 -0.581 1
1 803 . 10 1 1 A 117 117 ALA N N 117 121.130 119.037 2.093 1
1 804 . 10 1 1 A 118 118 THR H H 118 8.060 7.764 0.296 1
1 805 . 10 1 1 A 118 118 THR HA H 118 4.430 4.056 0.374 1
1 810 . 10 1 1 A 118 118 THR CA C 118 62.130 64.708 -2.578 1
1 811 . 10 1 1 A 118 118 THR CB C 118 69.840 68.914 0.926 1
1 813 . 10 1 1 A 118 118 THR N N 118 112.100 112.366 -0.266 1
1 814 . 10 1 1 A 119 119 GLY H H 119 8.430 8.550 -0.120 1
1 815 . 10 1 1 A 119 119 GLY N N 119 111.230 112.077 -0.847 1
1 816 . 10 1 1 A 120 120 LYS H H 120 8.200 7.948 0.252 1
1 817 . 10 1 1 A 120 120 LYS HA H 120 4.510 4.032 0.478 1
1 821 . 10 1 1 A 120 120 LYS CA C 120 56.110 59.001 -2.891 1
1 822 . 10 1 1 A 120 120 LYS CB C 120 33.270 32.197 1.073 1
1 823 . 10 1 1 A 120 120 LYS N N 120 121.180 122.224 -1.044 1
1 17 . 11 1 1 A 37 37 ARG H H 37 8.370 8.471 -0.101 1
1 18 . 11 1 1 A 37 37 ARG N N 37 121.030 118.438 2.592 1
1 19 . 11 1 1 A 38 38 LYS H H 38 8.150 7.715 0.435 1
1 20 . 11 1 1 A 38 38 LYS HA H 38 4.750 4.321 0.429 1
1 25 . 11 1 1 A 38 38 LYS CA C 38 54.190 56.239 -2.049 1
1 26 . 11 1 1 A 38 38 LYS CB C 38 35.040 33.741 1.299 1
1 27 . 11 1 1 A 38 38 LYS N N 38 119.860 118.113 1.747 1
1 28 . 11 1 1 A 39 39 GLY H H 39 8.710 9.102 -0.392 1
1 29 . 11 1 1 A 39 39 GLY HA3 H 39 4.050 4.280 -0.230 1
1 30 . 11 1 1 A 39 39 GLY CA C 39 45.460 45.865 -0.405 1
1 31 . 11 1 1 A 39 39 GLY N N 39 107.990 108.516 -0.526 1
1 32 . 11 1 1 A 40 40 ASN H H 40 8.300 8.577 -0.277 1
1 33 . 11 1 1 A 40 40 ASN HA H 40 4.850 5.304 -0.454 1
1 38 . 11 1 1 A 40 40 ASN CA C 40 54.110 53.315 0.795 1
1 39 . 11 1 1 A 40 40 ASN CB C 40 37.840 41.871 -4.031 1
1 40 . 11 1 1 A 40 40 ASN N N 40 115.650 118.693 -3.043 1
1 42 . 11 1 1 A 41 41 THR HA H 41 5.400 5.149 0.251 1
1 47 . 11 1 1 A 41 41 THR CA C 41 63.410 62.700 0.710 1
1 48 . 11 1 1 A 41 41 THR CB C 41 69.930 69.998 -0.068 1
1 50 . 11 1 1 A 42 42 LEU H H 42 9.900 8.962 0.938 1
1 51 . 11 1 1 A 42 42 LEU HA H 42 5.090 5.192 -0.102 1
1 61 . 11 1 1 A 42 42 LEU CA C 42 53.260 53.559 -0.299 1
1 62 . 11 1 1 A 42 42 LEU CB C 42 43.590 45.148 -1.558 1
1 66 . 11 1 1 A 42 42 LEU N N 42 127.870 124.813 3.057 1
1 67 . 11 1 1 A 43 43 TYR H H 43 9.190 8.698 0.492 1
1 68 . 11 1 1 A 43 43 TYR HA H 43 4.420 5.068 -0.648 1
1 71 . 11 1 1 A 43 43 TYR CB C 43 40.310 40.726 -0.416 1
1 72 . 11 1 1 A 43 43 TYR N N 43 124.140 124.852 -0.712 1
1 73 . 11 1 1 A 44 44 VAL H H 44 7.980 8.669 -0.689 1
1 74 . 11 1 1 A 44 44 VAL HA H 44 4.810 5.213 -0.403 1
1 82 . 11 1 1 A 44 44 VAL CA C 44 59.320 61.263 -1.943 1
1 83 . 11 1 1 A 44 44 VAL CB C 44 34.360 33.374 0.986 1
1 86 . 11 1 1 A 44 44 VAL N N 44 127.360 128.086 -0.726 1
1 87 . 11 1 1 A 45 45 TYR H H 45 9.020 8.850 0.170 1
1 88 . 11 1 1 A 45 45 TYR HA H 45 4.980 5.396 -0.416 1
1 94 . 11 1 1 A 45 45 TYR CA C 45 55.680 55.619 0.061 1
1 95 . 11 1 1 A 45 45 TYR CB C 45 42.210 42.000 0.210 1
1 96 . 11 1 1 A 45 45 TYR N N 45 126.390 128.095 -1.705 1
1 97 . 11 1 1 A 46 46 GLY H H 46 7.510 7.759 -0.249 1
1 98 . 11 1 1 A 46 46 GLY HA2 H 46 3.830 3.977 -0.147 1
1 99 . 11 1 1 A 46 46 GLY HA3 H 46 3.830 4.015 -0.185 1
1 100 . 11 1 1 A 46 46 GLY CA C 46 45.360 45.967 -0.607 1
1 101 . 11 1 1 A 46 46 GLY N N 46 114.220 111.584 2.636 1
1 102 . 11 1 1 A 47 47 GLU H H 47 8.750 8.572 0.178 1
1 103 . 11 1 1 A 47 47 GLU HA H 47 3.990 4.693 -0.703 1
1 108 . 11 1 1 A 47 47 GLU CA C 47 56.720 54.419 2.301 1
1 109 . 11 1 1 A 47 47 GLU CB C 47 30.460 33.108 -2.648 1
1 111 . 11 1 1 A 47 47 GLU N N 47 123.880 120.102 3.778 1
1 112 . 11 1 1 A 48 48 ASP H H 48 8.540 8.639 -0.099 1
1 113 . 11 1 1 A 48 48 ASP HA H 48 4.250 4.062 0.188 1
1 116 . 11 1 1 A 48 48 ASP CA C 48 55.210 55.100 0.110 1
1 117 . 11 1 1 A 48 48 ASP CB C 48 39.150 39.483 -0.333 1
1 118 . 11 1 1 A 48 48 ASP N N 48 117.200 118.157 -0.957 1
1 119 . 11 1 1 A 49 49 MET H H 49 8.190 7.782 0.408 1
1 120 . 11 1 1 A 49 49 MET HA H 49 4.120 4.941 -0.821 1
1 126 . 11 1 1 A 49 49 MET CA C 49 57.510 54.117 3.393 1
1 127 . 11 1 1 A 49 49 MET CB C 49 34.620 34.210 0.410 1
1 129 . 11 1 1 A 49 49 MET N N 49 114.560 117.741 -3.181 1
1 130 . 11 1 1 A 50 50 THR H H 50 6.510 8.759 -2.249 1
1 131 . 11 1 1 A 50 50 THR HA H 50 5.020 4.858 0.162 1
1 136 . 11 1 1 A 50 50 THR CA C 50 57.960 58.481 -0.521 1
1 137 . 11 1 1 A 50 50 THR CB C 50 70.150 70.046 0.104 1
1 139 . 11 1 1 A 50 50 THR N N 50 108.060 114.808 -6.748 1
1 140 . 11 1 1 A 51 51 PRO HA H 51 4.340 4.264 0.076 1
1 146 . 11 1 1 A 51 51 PRO CA C 51 65.790 65.698 0.092 1
1 147 . 11 1 1 A 51 51 PRO CB C 51 31.780 31.781 -0.001 1
1 150 . 11 1 1 A 52 52 THR H H 52 7.640 7.843 -0.203 1
1 151 . 11 1 1 A 52 52 THR HA H 52 3.980 3.994 -0.014 1
1 156 . 11 1 1 A 52 52 THR CA C 52 66.160 65.548 0.612 1
1 157 . 11 1 1 A 52 52 THR CB C 52 68.430 68.513 -0.083 1
1 159 . 11 1 1 A 52 52 THR N N 52 111.520 111.640 -0.120 1
1 160 . 11 1 1 A 53 53 LEU H H 53 7.810 8.002 -0.192 1
1 161 . 11 1 1 A 53 53 LEU HA H 53 4.130 4.081 0.049 1
1 171 . 11 1 1 A 53 53 LEU CA C 53 58.360 58.277 0.083 1
1 172 . 11 1 1 A 53 53 LEU CB C 53 42.970 41.557 1.413 1
1 176 . 11 1 1 A 53 53 LEU N N 53 125.410 121.666 3.744 1
1 177 . 11 1 1 A 54 54 LEU H H 54 7.840 8.014 -0.174 1
1 178 . 11 1 1 A 54 54 LEU HA H 54 4.260 4.044 0.216 1
1 188 . 11 1 1 A 54 54 LEU CA C 54 57.580 58.248 -0.668 1
1 189 . 11 1 1 A 54 54 LEU CB C 54 42.330 41.453 0.877 1
1 193 . 11 1 1 A 54 54 LEU N N 54 117.150 118.403 -1.253 1
1 194 . 11 1 1 A 55 55 ARG H H 55 9.020 8.704 0.316 1
1 195 . 11 1 1 A 55 55 ARG HA H 55 3.880 4.179 -0.299 1
1 202 . 11 1 1 A 55 55 ARG CA C 55 60.890 59.211 1.679 1
1 203 . 11 1 1 A 55 55 ARG CB C 55 29.580 29.886 -0.306 1
1 206 . 11 1 1 A 55 55 ARG N N 55 120.050 117.767 2.283 1
1 207 . 11 1 1 A 56 56 GLY H H 56 8.180 8.222 -0.042 1
1 208 . 11 1 1 A 56 56 GLY HA2 H 56 3.940 3.884 0.056 1
1 209 . 11 1 1 A 56 56 GLY HA3 H 56 4.100 3.902 0.198 1
1 210 . 11 1 1 A 56 56 GLY CA C 56 47.210 47.050 0.160 1
1 211 . 11 1 1 A 56 56 GLY N N 56 106.700 108.088 -1.388 1
1 212 . 11 1 1 A 57 57 ALA H H 57 7.830 7.811 0.019 1
1 213 . 11 1 1 A 57 57 ALA HA H 57 4.360 4.093 0.267 1
1 217 . 11 1 1 A 57 57 ALA CA C 57 53.590 54.200 -0.610 1
1 218 . 11 1 1 A 57 57 ALA CB C 57 19.050 18.288 0.762 1
1 219 . 11 1 1 A 57 57 ALA N N 57 120.270 124.695 -4.425 1
1 220 . 11 1 1 A 58 58 PHE H H 58 8.600 8.382 0.218 1
1 221 . 11 1 1 A 58 58 PHE HA H 58 4.790 5.584 -0.794 1
1 227 . 11 1 1 A 58 58 PHE CA C 58 60.210 57.659 2.551 1
1 228 . 11 1 1 A 58 58 PHE CB C 58 38.390 39.623 -1.233 1
1 229 . 11 1 1 A 58 58 PHE N N 58 110.250 116.519 -6.269 1
1 230 . 11 1 1 A 59 59 SER H H 59 8.610 7.996 0.614 1
1 231 . 11 1 1 A 59 59 SER HA H 59 4.810 4.389 0.421 1
1 234 . 11 1 1 A 59 59 SER CA C 59 63.540 63.362 0.178 1
1 235 . 11 1 1 A 59 59 SER CB C 59 62.910 62.830 0.080 1
1 236 . 11 1 1 A 59 59 SER N N 59 122.860 116.292 6.568 1
1 237 . 11 1 1 A 60 60 PRO HA H 60 4.280 4.349 -0.069 1
1 244 . 11 1 1 A 60 60 PRO CA C 60 65.680 65.643 0.037 1
1 245 . 11 1 1 A 60 60 PRO CB C 60 31.420 30.638 0.782 1
1 248 . 11 1 1 A 61 61 PHE H H 61 6.850 8.679 -1.829 1
1 249 . 11 1 1 A 61 61 PHE HA H 61 4.510 4.226 0.284 1
1 257 . 11 1 1 A 61 61 PHE CA C 61 58.310 60.449 -2.139 1
1 258 . 11 1 1 A 61 61 PHE CB C 61 38.920 38.841 0.079 1
1 259 . 11 1 1 A 61 61 PHE N N 61 109.700 116.792 -7.092 1
1 260 . 11 1 1 A 62 62 GLY H H 62 7.800 7.556 0.244 1
1 261 . 11 1 1 A 62 62 GLY HA2 H 62 4.090 3.933 0.157 1
1 262 . 11 1 1 A 62 62 GLY HA3 H 62 4.290 4.093 0.197 1
1 263 . 11 1 1 A 62 62 GLY CA C 62 45.290 45.920 -0.630 1
1 264 . 11 1 1 A 62 62 GLY N N 62 106.520 103.899 2.621 1
1 265 . 11 1 1 A 63 63 ASN H H 63 8.520 8.597 -0.077 1
1 266 . 11 1 1 A 63 63 ASN HA H 63 4.920 5.331 -0.411 1
1 271 . 11 1 1 A 63 63 ASN CA C 63 52.930 52.812 0.118 1
1 272 . 11 1 1 A 63 63 ASN CB C 63 38.630 40.502 -1.872 1
1 273 . 11 1 1 A 63 63 ASN N N 63 117.020 118.754 -1.734 1
1 275 . 11 1 1 A 64 64 ILE H H 64 8.750 8.988 -0.238 1
1 276 . 11 1 1 A 64 64 ILE HA H 64 4.100 4.967 -0.867 1
1 286 . 11 1 1 A 64 64 ILE CA C 64 61.940 60.210 1.730 1
1 287 . 11 1 1 A 64 64 ILE CB C 64 38.780 39.709 -0.929 1
1 291 . 11 1 1 A 64 64 ILE N N 64 127.930 122.373 5.557 1
1 292 . 11 1 1 A 65 65 ILE H H 65 8.910 8.618 0.292 1
1 293 . 11 1 1 A 65 65 ILE HA H 65 4.490 4.353 0.137 1
1 303 . 11 1 1 A 65 65 ILE CA C 65 61.310 61.621 -0.311 1
1 304 . 11 1 1 A 65 65 ILE CB C 65 38.470 38.791 -0.321 1
1 308 . 11 1 1 A 65 65 ILE N N 65 124.530 123.465 1.065 1
1 309 . 11 1 1 A 66 66 ASP H H 66 7.520 7.953 -0.433 1
1 310 . 11 1 1 A 66 66 ASP HA H 66 4.700 5.110 -0.410 1
1 313 . 11 1 1 A 66 66 ASP CA C 66 55.520 53.300 2.220 1
1 314 . 11 1 1 A 66 66 ASP CB C 66 45.290 44.470 0.820 1
1 315 . 11 1 1 A 66 66 ASP N N 66 119.140 121.225 -2.085 1
1 316 . 11 1 1 A 67 67 LEU H H 67 8.230 9.005 -0.775 1
1 317 . 11 1 1 A 67 67 LEU HA H 67 4.980 5.180 -0.200 1
1 326 . 11 1 1 A 67 67 LEU CA C 67 54.980 53.439 1.541 1
1 327 . 11 1 1 A 67 67 LEU CB C 67 44.440 45.318 -0.878 1
1 330 . 11 1 1 A 67 67 LEU N N 67 127.890 127.682 0.208 1
1 331 . 11 1 1 A 68 68 SER H H 68 8.810 8.961 -0.151 1
1 332 . 11 1 1 A 68 68 SER HA H 68 4.970 5.299 -0.329 1
1 335 . 11 1 1 A 68 68 SER CA C 68 57.170 56.718 0.452 1
1 336 . 11 1 1 A 68 68 SER CB C 68 65.320 65.480 -0.160 1
1 337 . 11 1 1 A 68 68 SER N N 68 122.560 121.192 1.368 1
1 338 . 11 1 1 A 69 69 MET H H 69 9.050 8.837 0.213 1
1 339 . 11 1 1 A 69 69 MET HA H 69 4.740 5.310 -0.570 1
1 345 . 11 1 1 A 69 69 MET CA C 69 54.520 54.114 0.406 1
1 348 . 11 1 1 A 69 69 MET N N 69 122.420 123.720 -1.300 1
1 349 . 11 1 1 A 70 70 ASP H H 70 8.620 8.682 -0.062 1
1 350 . 11 1 1 A 70 70 ASP HA H 70 5.140 5.363 -0.223 1
1 353 . 11 1 1 A 70 70 ASP CA C 70 51.410 50.765 0.645 1
1 354 . 11 1 1 A 70 70 ASP CB C 70 40.930 42.715 -1.785 1
1 355 . 11 1 1 A 70 70 ASP N N 70 120.620 121.906 -1.286 1
1 356 . 11 1 1 A 71 71 PRO HA H 71 4.760 4.374 0.386 1
1 359 . 11 1 1 A 71 71 PRO CA C 71 66.380 64.388 1.992 1
1 361 . 11 1 1 A 72 72 PRO HA H 72 4.520 4.369 0.151 1
1 368 . 11 1 1 A 72 72 PRO CA C 72 65.750 65.115 0.635 1
1 369 . 11 1 1 A 72 72 PRO CB C 72 31.570 31.471 0.099 1
1 371 . 11 1 1 A 73 73 ARG H H 73 7.360 7.532 -0.172 1
1 372 . 11 1 1 A 73 73 ARG HA H 73 4.570 4.537 0.033 1
1 378 . 11 1 1 A 73 73 ARG CA C 73 55.160 55.223 -0.063 1
1 379 . 11 1 1 A 73 73 ARG CB C 73 29.000 31.202 -2.202 1
1 382 . 11 1 1 A 73 73 ARG N N 73 114.560 116.387 -1.827 1
1 383 . 11 1 1 A 74 74 ASN H H 74 8.440 7.946 0.494 1
1 384 . 11 1 1 A 74 74 ASN HA H 74 4.270 4.106 0.164 1
1 389 . 11 1 1 A 74 74 ASN CA C 74 53.830 54.510 -0.680 1
1 390 . 11 1 1 A 74 74 ASN CB C 74 37.500 36.435 1.065 1
1 391 . 11 1 1 A 74 74 ASN N N 74 115.460 115.154 0.306 1
1 393 . 11 1 1 A 75 75 CYS H H 75 7.270 7.448 -0.178 1
1 394 . 11 1 1 A 75 75 CYS HA H 75 5.730 5.153 0.577 1
1 396 . 11 1 1 A 75 75 CYS CA C 75 55.420 57.109 -1.689 1
1 397 . 11 1 1 A 75 75 CYS CB C 75 32.640 30.596 2.044 1
1 398 . 11 1 1 A 75 75 CYS N N 75 127.180 113.323 13.857 1
1 399 . 11 1 1 A 76 76 ALA H H 76 8.590 8.481 0.109 1
1 403 . 11 1 1 A 76 76 ALA CB C 76 24.400 22.573 1.827 1
1 404 . 11 1 1 A 76 76 ALA N N 76 122.120 124.068 -1.948 1
1 405 . 11 1 1 A 77 77 PHE H H 77 8.780 9.674 -0.894 1
1 406 . 11 1 1 A 77 77 PHE HA H 77 5.620 5.595 0.025 1
1 407 . 11 1 1 A 77 77 PHE CA C 77 55.850 56.464 -0.614 1
1 408 . 11 1 1 A 77 77 PHE N N 77 115.390 117.414 -2.024 1
1 409 . 11 1 1 A 78 78 VAL H H 78 8.580 8.608 -0.028 1
1 410 . 11 1 1 A 78 78 VAL HA H 78 4.300 4.648 -0.348 1
1 418 . 11 1 1 A 78 78 VAL CA C 78 60.960 60.252 0.708 1
1 419 . 11 1 1 A 78 78 VAL CB C 78 34.360 35.098 -0.738 1
1 422 . 11 1 1 A 78 78 VAL N N 78 126.440 121.692 4.748 1
1 423 . 11 1 1 A 79 79 THR H H 79 8.960 8.359 0.601 1
1 424 . 11 1 1 A 79 79 THR HA H 79 5.330 5.360 -0.030 1
1 429 . 11 1 1 A 79 79 THR CA C 79 61.940 61.575 0.365 1
1 430 . 11 1 1 A 79 79 THR CB C 79 69.910 69.905 0.005 1
1 432 . 11 1 1 A 79 79 THR N N 79 123.990 123.591 0.399 1
1 433 . 11 1 1 A 80 80 TYR H H 80 8.880 9.774 -0.894 1
1 434 . 11 1 1 A 80 80 TYR HA H 80 5.400 5.031 0.369 1
1 437 . 11 1 1 A 80 80 TYR CA C 80 57.660 57.540 0.120 1
1 438 . 11 1 1 A 80 80 TYR CB C 80 42.220 40.295 1.925 1
1 439 . 11 1 1 A 80 80 TYR N N 80 126.670 126.007 0.663 1
1 440 . 11 1 1 A 81 81 GLU H H 81 8.490 8.780 -0.290 1
1 441 . 11 1 1 A 81 81 GLU HA H 81 4.110 4.118 -0.008 1
1 446 . 11 1 1 A 81 81 GLU CA C 81 59.290 59.524 -0.234 1
1 447 . 11 1 1 A 81 81 GLU CB C 81 31.210 29.648 1.562 1
1 449 . 11 1 1 A 81 81 GLU N N 81 119.690 124.612 -4.922 1
1 450 . 11 1 1 A 82 82 LYS H H 82 8.460 7.721 0.739 1
1 451 . 11 1 1 A 82 82 LYS HA H 82 5.020 4.797 0.223 1
1 457 . 11 1 1 A 82 82 LYS CA C 82 54.140 54.541 -0.401 1
1 458 . 11 1 1 A 82 82 LYS CB C 82 34.420 36.675 -2.255 1
1 462 . 11 1 1 A 82 82 LYS N N 82 113.920 116.998 -3.078 1
1 463 . 11 1 1 A 83 83 MET H H 83 9.100 9.068 0.032 1
1 464 . 11 1 1 A 83 83 MET HA H 83 4.070 4.316 -0.246 1
1 468 . 11 1 1 A 83 83 MET CA C 83 59.570 57.625 1.945 1
1 469 . 11 1 1 A 83 83 MET CB C 83 32.420 31.434 0.986 1
1 471 . 11 1 1 A 83 83 MET N N 83 122.530 121.813 0.717 1
1 472 . 11 1 1 A 84 84 GLU H H 84 9.690 7.834 1.856 1
1 473 . 11 1 1 A 84 84 GLU HA H 84 4.240 4.085 0.155 1
1 477 . 11 1 1 A 84 84 GLU CA C 84 60.040 59.040 1.000 1
1 478 . 11 1 1 A 84 84 GLU CB C 84 28.640 29.639 -0.999 1
1 480 . 11 1 1 A 84 84 GLU N N 84 117.940 119.931 -1.991 1
1 481 . 11 1 1 A 85 85 SER H H 85 7.110 8.213 -1.103 1
1 482 . 11 1 1 A 85 85 SER HA H 85 4.130 4.031 0.099 1
1 485 . 11 1 1 A 85 85 SER CA C 85 61.840 61.485 0.355 1
1 486 . 11 1 1 A 85 85 SER CB C 85 62.400 62.451 -0.051 1
1 487 . 11 1 1 A 85 85 SER N N 85 115.500 117.095 -1.595 1
1 488 . 11 1 1 A 86 86 ALA H H 86 6.860 7.425 -0.565 1
1 489 . 11 1 1 A 86 86 ALA HA H 86 4.080 4.423 -0.343 1
1 493 . 11 1 1 A 86 86 ALA CA C 86 55.210 54.916 0.294 1
1 494 . 11 1 1 A 86 86 ALA CB C 86 18.070 18.534 -0.464 1
1 495 . 11 1 1 A 86 86 ALA N N 86 122.760 123.198 -0.438 1
1 496 . 11 1 1 A 87 87 ASP H H 87 7.680 8.107 -0.427 1
1 497 . 11 1 1 A 87 87 ASP HA H 87 4.390 4.346 0.044 1
1 500 . 11 1 1 A 87 87 ASP CA C 87 57.470 57.519 -0.049 1
1 501 . 11 1 1 A 87 87 ASP CB C 87 40.850 41.169 -0.319 1
1 502 . 11 1 1 A 87 87 ASP N N 87 115.980 118.816 -2.836 1
1 503 . 11 1 1 A 88 88 GLN H H 88 7.670 7.868 -0.198 1
1 504 . 11 1 1 A 88 88 GLN HA H 88 4.040 4.138 -0.098 1
1 511 . 11 1 1 A 88 88 GLN CA C 88 58.500 58.870 -0.370 1
1 512 . 11 1 1 A 88 88 GLN CB C 88 28.270 28.946 -0.676 1
1 514 . 11 1 1 A 88 88 GLN N N 88 119.920 119.282 0.638 1
1 516 . 11 1 1 A 89 89 ALA H H 89 7.950 7.700 0.250 1
1 517 . 11 1 1 A 89 89 ALA HA H 89 2.800 2.525 0.275 1
1 521 . 11 1 1 A 89 89 ALA CA C 89 54.930 54.458 0.472 1
1 522 . 11 1 1 A 89 89 ALA CB C 89 19.340 17.942 1.398 1
1 523 . 11 1 1 A 89 89 ALA N N 89 121.330 121.941 -0.611 1
1 524 . 11 1 1 A 90 90 VAL H H 90 8.030 8.404 -0.374 1
1 525 . 11 1 1 A 90 90 VAL HA H 90 3.370 3.534 -0.164 1
1 533 . 11 1 1 A 90 90 VAL CA C 90 67.090 66.489 0.601 1
1 534 . 11 1 1 A 90 90 VAL CB C 90 32.180 31.684 0.496 1
1 537 . 11 1 1 A 90 90 VAL N N 90 116.630 118.664 -2.034 1
1 538 . 11 1 1 A 91 91 ALA H H 91 7.350 8.203 -0.853 1
1 539 . 11 1 1 A 91 91 ALA HA H 91 4.130 4.128 0.002 1
1 543 . 11 1 1 A 91 91 ALA CA C 91 54.810 54.907 -0.097 1
1 544 . 11 1 1 A 91 91 ALA CB C 91 18.330 18.449 -0.119 1
1 545 . 11 1 1 A 91 91 ALA N N 91 119.620 121.418 -1.798 1
1 546 . 11 1 1 A 92 92 GLU H H 92 7.960 7.825 0.135 1
1 547 . 11 1 1 A 92 92 GLU HA H 92 4.360 4.239 0.121 1
1 552 . 11 1 1 A 92 92 GLU CA C 92 57.930 58.424 -0.494 1
1 553 . 11 1 1 A 92 92 GLU CB C 92 30.980 30.374 0.606 1
1 555 . 11 1 1 A 92 92 GLU N N 92 113.770 117.875 -4.105 1
1 556 . 11 1 1 A 93 93 LEU H H 93 8.310 8.543 -0.233 1
1 557 . 11 1 1 A 93 93 LEU HA H 93 4.620 4.051 0.569 1
1 567 . 11 1 1 A 93 93 LEU CA C 93 55.810 57.269 -1.459 1
1 568 . 11 1 1 A 93 93 LEU CB C 93 44.130 41.391 2.739 1
1 572 . 11 1 1 A 93 93 LEU N N 93 114.550 118.903 -4.353 1
1 573 . 11 1 1 A 94 94 ASN H H 94 7.910 7.640 0.270 1
1 574 . 11 1 1 A 94 94 ASN HA H 94 4.430 4.338 0.092 1
1 577 . 11 1 1 A 94 94 ASN CA C 94 56.690 54.970 1.720 1
1 578 . 11 1 1 A 94 94 ASN N N 94 116.840 117.754 -0.914 1
1 580 . 11 1 1 A 95 95 GLY H H 95 8.890 8.906 -0.016 1
1 581 . 11 1 1 A 95 95 GLY HA2 H 95 3.960 3.948 0.012 1
1 582 . 11 1 1 A 95 95 GLY HA3 H 95 4.290 3.951 0.339 1
1 583 . 11 1 1 A 95 95 GLY CA C 95 46.090 45.458 0.632 1
1 584 . 11 1 1 A 95 95 GLY N N 95 116.350 113.568 2.782 1
1 585 . 11 1 1 A 96 96 THR H H 96 7.860 7.367 0.493 1
1 586 . 11 1 1 A 96 96 THR HA H 96 4.660 4.957 -0.297 1
1 591 . 11 1 1 A 96 96 THR CA C 96 60.880 59.293 1.587 1
1 592 . 11 1 1 A 96 96 THR CB C 96 71.090 71.835 -0.745 1
1 594 . 11 1 1 A 96 96 THR N N 96 113.920 111.255 2.665 1
1 595 . 11 1 1 A 97 97 GLN H H 97 8.360 8.775 -0.415 1
1 596 . 11 1 1 A 97 97 GLN HA H 97 5.210 5.114 0.096 1
1 602 . 11 1 1 A 97 97 GLN CA C 97 54.170 54.088 0.082 1
1 603 . 11 1 1 A 97 97 GLN CB C 97 30.470 32.325 -1.855 1
1 605 . 11 1 1 A 97 97 GLN N N 97 119.550 121.534 -1.984 1
1 607 . 11 1 1 A 98 98 VAL H H 98 8.900 9.414 -0.514 1
1 608 . 11 1 1 A 98 98 VAL HA H 98 4.200 4.410 -0.210 1
1 616 . 11 1 1 A 98 98 VAL CA C 98 61.350 61.180 0.170 1
1 617 . 11 1 1 A 98 98 VAL CB C 98 33.600 32.396 1.204 1
1 620 . 11 1 1 A 98 98 VAL N N 98 127.260 126.035 1.225 1
1 621 . 11 1 1 A 99 99 GLU H H 99 9.160 8.573 0.587 1
1 622 . 11 1 1 A 99 99 GLU HA H 99 3.820 4.072 -0.252 1
1 625 . 11 1 1 A 99 99 GLU CA C 99 57.950 59.260 -1.310 1
1 626 . 11 1 1 A 99 99 GLU CB C 99 27.110 30.040 -2.930 1
1 628 . 11 1 1 A 99 99 GLU N N 99 124.200 123.521 0.679 1
1 629 . 11 1 1 A 100 100 SER H H 100 8.330 7.904 0.426 1
1 630 . 11 1 1 A 100 100 SER HA H 100 4.280 4.682 -0.402 1
1 633 . 11 1 1 A 100 100 SER CA C 100 59.780 57.375 2.405 1
1 634 . 11 1 1 A 100 100 SER CB C 100 63.300 64.178 -0.878 1
1 635 . 11 1 1 A 100 100 SER N N 100 111.660 113.109 -1.449 1
1 636 . 11 1 1 A 101 101 VAL H H 101 8.410 7.621 0.789 1
1 637 . 11 1 1 A 101 101 VAL HA H 101 4.210 4.725 -0.515 1
1 645 . 11 1 1 A 101 101 VAL CA C 101 62.080 60.505 1.575 1
1 646 . 11 1 1 A 101 101 VAL CB C 101 33.200 36.408 -3.208 1
1 649 . 11 1 1 A 101 101 VAL N N 101 124.550 121.464 3.086 1
1 650 . 11 1 1 A 102 102 GLN H H 102 8.510 8.482 0.028 1
1 651 . 11 1 1 A 102 102 GLN HA H 102 4.590 4.731 -0.141 1
1 658 . 11 1 1 A 102 102 GLN CA C 102 55.090 56.021 -0.931 1
1 659 . 11 1 1 A 102 102 GLN CB C 102 28.620 30.213 -1.593 1
1 661 . 11 1 1 A 102 102 GLN N N 102 127.320 125.504 1.816 1
1 663 . 11 1 1 A 103 103 LEU H H 103 8.710 8.749 -0.039 1
1 664 . 11 1 1 A 103 103 LEU HA H 103 5.050 5.075 -0.025 1
1 674 . 11 1 1 A 103 103 LEU CA C 103 54.740 53.342 1.398 1
1 675 . 11 1 1 A 103 103 LEU CB C 103 44.820 44.611 0.209 1
1 679 . 11 1 1 A 103 103 LEU N N 103 126.610 124.142 2.468 1
1 680 . 11 1 1 A 104 104 LYS H H 104 8.690 8.762 -0.072 1
1 681 . 11 1 1 A 104 104 LYS HA H 104 5.030 5.105 -0.075 1
1 688 . 11 1 1 A 104 104 LYS CA C 104 55.480 54.836 0.644 1
1 689 . 11 1 1 A 104 104 LYS CB C 104 34.520 35.206 -0.686 1
1 693 . 11 1 1 A 104 104 LYS N N 104 124.080 122.790 1.290 1
1 694 . 11 1 1 A 105 105 VAL H H 105 9.050 8.836 0.214 1
1 695 . 11 1 1 A 105 105 VAL HA H 105 5.190 5.163 0.027 1
1 703 . 11 1 1 A 105 105 VAL CA C 105 60.840 60.559 0.281 1
1 704 . 11 1 1 A 105 105 VAL CB C 105 35.660 35.027 0.633 1
1 707 . 11 1 1 A 105 105 VAL N N 105 123.920 123.173 0.747 1
1 708 . 11 1 1 A 106 106 ASN H H 106 9.300 8.625 0.675 1
1 709 . 11 1 1 A 106 106 ASN HA H 106 5.220 5.240 -0.020 1
1 714 . 11 1 1 A 106 106 ASN CA C 106 51.630 51.924 -0.294 1
1 715 . 11 1 1 A 106 106 ASN CB C 106 43.840 42.833 1.007 1
1 716 . 11 1 1 A 106 106 ASN N N 106 122.780 121.079 1.701 1
1 718 . 11 1 1 A 107 107 ILE H H 107 9.050 8.745 0.305 1
1 719 . 11 1 1 A 107 107 ILE HA H 107 4.160 4.870 -0.710 1
1 729 . 11 1 1 A 107 107 ILE CA C 107 61.670 60.286 1.384 1
1 730 . 11 1 1 A 107 107 ILE CB C 107 36.140 39.477 -3.337 1
1 733 . 11 1 1 A 107 107 ILE N N 107 122.980 120.892 2.088 1
1 734 . 11 1 1 A 108 108 ALA H H 108 8.740 8.666 0.074 1
1 735 . 11 1 1 A 108 108 ALA HA H 108 4.780 5.092 -0.312 1
1 739 . 11 1 1 A 108 108 ALA CA C 108 52.620 50.332 2.288 1
1 740 . 11 1 1 A 108 108 ALA CB C 108 19.570 21.518 -1.948 1
1 741 . 11 1 1 A 108 108 ALA N N 108 131.610 130.635 0.975 1
1 742 . 11 1 1 A 109 109 ARG HA H 109 4.390 4.445 -0.055 1
1 746 . 11 1 1 A 109 109 ARG CA C 109 56.120 56.556 -0.436 1
1 747 . 11 1 1 A 109 109 ARG CB C 109 31.010 29.997 1.013 1
1 749 . 11 1 1 A 111 111 GLN HA H 111 4.630 3.983 0.647 1
1 754 . 11 1 1 A 111 111 GLN CA C 111 55.160 56.541 -1.381 1
1 755 . 11 1 1 A 111 111 GLN CB C 111 32.900 27.227 5.673 1
1 757 . 11 1 1 A 112 112 PRO HA H 112 4.370 4.496 -0.126 1
1 761 . 11 1 1 A 112 112 PRO CA C 112 64.090 64.101 -0.011 1
1 762 . 11 1 1 A 112 112 PRO CB C 112 32.650 31.862 0.788 1
1 767 . 11 1 1 A 114 114 LEU H H 114 7.710 7.410 0.300 1
1 768 . 11 1 1 A 114 114 LEU HA H 114 4.440 4.542 -0.102 1
1 777 . 11 1 1 A 114 114 LEU CB C 114 42.640 42.956 -0.316 1
1 780 . 11 1 1 A 114 114 LEU N N 114 123.050 120.171 2.879 1
1 781 . 11 1 1 A 115 115 ASP H H 115 8.440 8.566 -0.126 1
1 782 . 11 1 1 A 115 115 ASP HA H 115 4.610 4.268 0.342 1
1 785 . 11 1 1 A 115 115 ASP CA C 115 54.620 55.607 -0.987 1
1 786 . 11 1 1 A 115 115 ASP CB C 115 40.720 38.991 1.729 1
1 787 . 11 1 1 A 115 115 ASP N N 115 119.520 115.033 4.487 1
1 788 . 11 1 1 A 116 116 ALA H H 116 8.060 8.367 -0.307 1
1 789 . 11 1 1 A 116 116 ALA HA H 116 4.320 3.916 0.404 1
1 793 . 11 1 1 A 116 116 ALA CA C 116 53.080 54.806 -1.726 1
1 794 . 11 1 1 A 116 116 ALA CB C 116 19.000 17.959 1.041 1
1 795 . 11 1 1 A 116 116 ALA N N 116 123.460 113.315 10.145 1
1 796 . 11 1 1 A 117 117 ALA H H 117 8.110 7.949 0.161 1
1 797 . 11 1 1 A 117 117 ALA HA H 117 4.640 4.531 0.109 1
1 801 . 11 1 1 A 117 117 ALA CA C 117 52.600 51.643 0.957 1
1 802 . 11 1 1 A 117 117 ALA CB C 117 19.360 22.896 -3.536 1
1 803 . 11 1 1 A 117 117 ALA N N 117 121.130 116.992 4.138 1
1 804 . 11 1 1 A 118 118 THR H H 118 8.060 8.426 -0.366 1
1 805 . 11 1 1 A 118 118 THR HA H 118 4.430 5.160 -0.730 1
1 810 . 11 1 1 A 118 118 THR CA C 118 62.130 59.459 2.671 1
1 811 . 11 1 1 A 118 118 THR CB C 118 69.840 71.546 -1.706 1
1 813 . 11 1 1 A 118 118 THR N N 118 112.100 109.848 2.252 1
1 814 . 11 1 1 A 119 119 GLY H H 119 8.430 8.400 0.030 1
1 815 . 11 1 1 A 119 119 GLY N N 119 111.230 108.617 2.613 1
1 816 . 11 1 1 A 120 120 LYS H H 120 8.200 8.654 -0.454 1
1 817 . 11 1 1 A 120 120 LYS HA H 120 4.510 3.961 0.549 1
1 821 . 11 1 1 A 120 120 LYS CA C 120 56.110 59.266 -3.156 1
1 822 . 11 1 1 A 120 120 LYS CB C 120 33.270 32.317 0.953 1
1 823 . 11 1 1 A 120 120 LYS N N 120 121.180 120.079 1.101 1
1 17 . 12 1 1 A 37 37 ARG H H 37 8.370 7.893 0.477 1
1 18 . 12 1 1 A 37 37 ARG N N 37 121.030 119.579 1.451 1
1 19 . 12 1 1 A 38 38 LYS H H 38 8.150 8.719 -0.569 1
1 20 . 12 1 1 A 38 38 LYS HA H 38 4.750 5.020 -0.270 1
1 25 . 12 1 1 A 38 38 LYS CA C 38 54.190 54.915 -0.725 1
1 26 . 12 1 1 A 38 38 LYS CB C 38 35.040 34.260 0.780 1
1 27 . 12 1 1 A 38 38 LYS N N 38 119.860 123.066 -3.206 1
1 28 . 12 1 1 A 39 39 GLY H H 39 8.710 8.538 0.172 1
1 29 . 12 1 1 A 39 39 GLY HA3 H 39 4.050 4.223 -0.173 1
1 30 . 12 1 1 A 39 39 GLY CA C 39 45.460 45.515 -0.055 1
1 31 . 12 1 1 A 39 39 GLY N N 39 107.990 108.476 -0.486 1
1 32 . 12 1 1 A 40 40 ASN H H 40 8.300 9.946 -1.646 1
1 33 . 12 1 1 A 40 40 ASN HA H 40 4.850 5.125 -0.275 1
1 38 . 12 1 1 A 40 40 ASN CA C 40 54.110 53.009 1.101 1
1 39 . 12 1 1 A 40 40 ASN CB C 40 37.840 39.496 -1.656 1
1 40 . 12 1 1 A 40 40 ASN N N 40 115.650 123.728 -8.078 1
1 42 . 12 1 1 A 41 41 THR HA H 41 5.400 5.071 0.329 1
1 47 . 12 1 1 A 41 41 THR CA C 41 63.410 62.839 0.571 1
1 48 . 12 1 1 A 41 41 THR CB C 41 69.930 70.025 -0.095 1
1 50 . 12 1 1 A 42 42 LEU H H 42 9.900 8.752 1.148 1
1 51 . 12 1 1 A 42 42 LEU HA H 42 5.090 5.341 -0.251 1
1 61 . 12 1 1 A 42 42 LEU CA C 42 53.260 53.716 -0.456 1
1 62 . 12 1 1 A 42 42 LEU CB C 42 43.590 44.636 -1.046 1
1 66 . 12 1 1 A 42 42 LEU N N 42 127.870 125.769 2.101 1
1 67 . 12 1 1 A 43 43 TYR H H 43 9.190 9.245 -0.055 1
1 68 . 12 1 1 A 43 43 TYR HA H 43 4.420 4.793 -0.373 1
1 71 . 12 1 1 A 43 43 TYR CB C 43 40.310 40.073 0.237 1
1 72 . 12 1 1 A 43 43 TYR N N 43 124.140 125.270 -1.130 1
1 73 . 12 1 1 A 44 44 VAL H H 44 7.980 8.582 -0.602 1
1 74 . 12 1 1 A 44 44 VAL HA H 44 4.810 5.218 -0.408 1
1 82 . 12 1 1 A 44 44 VAL CA C 44 59.320 61.363 -2.043 1
1 83 . 12 1 1 A 44 44 VAL CB C 44 34.360 33.121 1.239 1
1 86 . 12 1 1 A 44 44 VAL N N 44 127.360 128.249 -0.889 1
1 87 . 12 1 1 A 45 45 TYR H H 45 9.020 8.703 0.317 1
1 88 . 12 1 1 A 45 45 TYR HA H 45 4.980 5.348 -0.368 1
1 94 . 12 1 1 A 45 45 TYR CA C 45 55.680 55.610 0.070 1
1 95 . 12 1 1 A 45 45 TYR CB C 45 42.210 41.991 0.219 1
1 96 . 12 1 1 A 45 45 TYR N N 45 126.390 128.135 -1.745 1
1 97 . 12 1 1 A 46 46 GLY H H 46 7.510 7.382 0.128 1
1 98 . 12 1 1 A 46 46 GLY HA2 H 46 3.830 3.955 -0.125 1
1 99 . 12 1 1 A 46 46 GLY HA3 H 46 3.830 4.005 -0.175 1
1 100 . 12 1 1 A 46 46 GLY CA C 46 45.360 45.904 -0.544 1
1 101 . 12 1 1 A 46 46 GLY N N 46 114.220 111.634 2.586 1
1 102 . 12 1 1 A 47 47 GLU H H 47 8.750 8.610 0.140 1
1 103 . 12 1 1 A 47 47 GLU HA H 47 3.990 4.593 -0.603 1
1 108 . 12 1 1 A 47 47 GLU CA C 47 56.720 54.714 2.006 1
1 109 . 12 1 1 A 47 47 GLU CB C 47 30.460 32.594 -2.134 1
1 111 . 12 1 1 A 47 47 GLU N N 47 123.880 119.742 4.138 1
1 112 . 12 1 1 A 48 48 ASP H H 48 8.540 8.617 -0.077 1
1 113 . 12 1 1 A 48 48 ASP HA H 48 4.250 4.059 0.191 1
1 116 . 12 1 1 A 48 48 ASP CA C 48 55.210 55.085 0.125 1
1 117 . 12 1 1 A 48 48 ASP CB C 48 39.150 39.427 -0.277 1
1 118 . 12 1 1 A 48 48 ASP N N 48 117.200 117.931 -0.731 1
1 119 . 12 1 1 A 49 49 MET H H 49 8.190 7.815 0.375 1
1 120 . 12 1 1 A 49 49 MET HA H 49 4.120 4.967 -0.847 1
1 126 . 12 1 1 A 49 49 MET CA C 49 57.510 54.015 3.495 1
1 127 . 12 1 1 A 49 49 MET CB C 49 34.620 34.224 0.396 1
1 129 . 12 1 1 A 49 49 MET N N 49 114.560 117.633 -3.073 1
1 130 . 12 1 1 A 50 50 THR H H 50 6.510 8.565 -2.055 1
1 131 . 12 1 1 A 50 50 THR HA H 50 5.020 4.907 0.113 1
1 136 . 12 1 1 A 50 50 THR CA C 50 57.960 58.385 -0.425 1
1 137 . 12 1 1 A 50 50 THR CB C 50 70.150 70.050 0.100 1
1 139 . 12 1 1 A 50 50 THR N N 50 108.060 114.614 -6.554 1
1 140 . 12 1 1 A 51 51 PRO HA H 51 4.340 4.259 0.081 1
1 146 . 12 1 1 A 51 51 PRO CA C 51 65.790 65.695 0.095 1
1 147 . 12 1 1 A 51 51 PRO CB C 51 31.780 31.821 -0.041 1
1 150 . 12 1 1 A 52 52 THR H H 52 7.640 7.806 -0.166 1
1 151 . 12 1 1 A 52 52 THR HA H 52 3.980 3.930 0.050 1
1 156 . 12 1 1 A 52 52 THR CA C 52 66.160 65.903 0.257 1
1 157 . 12 1 1 A 52 52 THR CB C 52 68.430 68.658 -0.228 1
1 159 . 12 1 1 A 52 52 THR N N 52 111.520 111.572 -0.052 1
1 160 . 12 1 1 A 53 53 LEU H H 53 7.810 8.031 -0.221 1
1 161 . 12 1 1 A 53 53 LEU HA H 53 4.130 4.051 0.079 1
1 171 . 12 1 1 A 53 53 LEU CA C 53 58.360 58.365 -0.005 1
1 172 . 12 1 1 A 53 53 LEU CB C 53 42.970 41.488 1.482 1
1 176 . 12 1 1 A 53 53 LEU N N 53 125.410 121.410 4.000 1
1 177 . 12 1 1 A 54 54 LEU H H 54 7.840 8.007 -0.167 1
1 178 . 12 1 1 A 54 54 LEU HA H 54 4.260 4.024 0.236 1
1 188 . 12 1 1 A 54 54 LEU CA C 54 57.580 58.306 -0.726 1
1 189 . 12 1 1 A 54 54 LEU CB C 54 42.330 41.551 0.779 1
1 193 . 12 1 1 A 54 54 LEU N N 54 117.150 118.717 -1.567 1
1 194 . 12 1 1 A 55 55 ARG H H 55 9.020 8.634 0.386 1
1 195 . 12 1 1 A 55 55 ARG HA H 55 3.880 4.142 -0.262 1
1 202 . 12 1 1 A 55 55 ARG CA C 55 60.890 59.191 1.699 1
1 203 . 12 1 1 A 55 55 ARG CB C 55 29.580 29.883 -0.303 1
1 206 . 12 1 1 A 55 55 ARG N N 55 120.050 117.734 2.316 1
1 207 . 12 1 1 A 56 56 GLY H H 56 8.180 8.216 -0.036 1
1 208 . 12 1 1 A 56 56 GLY HA2 H 56 3.940 3.847 0.093 1
1 209 . 12 1 1 A 56 56 GLY HA3 H 56 4.100 3.865 0.235 1
1 210 . 12 1 1 A 56 56 GLY CA C 56 47.210 46.905 0.305 1
1 211 . 12 1 1 A 56 56 GLY N N 56 106.700 108.040 -1.340 1
1 212 . 12 1 1 A 57 57 ALA H H 57 7.830 7.936 -0.106 1
1 213 . 12 1 1 A 57 57 ALA HA H 57 4.360 4.180 0.180 1
1 217 . 12 1 1 A 57 57 ALA CA C 57 53.590 54.054 -0.464 1
1 218 . 12 1 1 A 57 57 ALA CB C 57 19.050 18.442 0.608 1
1 219 . 12 1 1 A 57 57 ALA N N 57 120.270 124.321 -4.051 1
1 220 . 12 1 1 A 58 58 PHE H H 58 8.600 8.363 0.237 1
1 221 . 12 1 1 A 58 58 PHE HA H 58 4.790 5.377 -0.587 1
1 227 . 12 1 1 A 58 58 PHE CA C 58 60.210 57.648 2.562 1
1 228 . 12 1 1 A 58 58 PHE CB C 58 38.390 39.720 -1.330 1
1 229 . 12 1 1 A 58 58 PHE N N 58 110.250 116.840 -6.590 1
1 230 . 12 1 1 A 59 59 SER H H 59 8.610 8.113 0.497 1
1 231 . 12 1 1 A 59 59 SER HA H 59 4.810 4.389 0.421 1
1 234 . 12 1 1 A 59 59 SER CA C 59 63.540 62.996 0.544 1
1 235 . 12 1 1 A 59 59 SER CB C 59 62.910 62.681 0.229 1
1 236 . 12 1 1 A 59 59 SER N N 59 122.860 116.826 6.034 1
1 237 . 12 1 1 A 60 60 PRO HA H 60 4.280 4.340 -0.060 1
1 244 . 12 1 1 A 60 60 PRO CA C 60 65.680 65.632 0.048 1
1 245 . 12 1 1 A 60 60 PRO CB C 60 31.420 30.769 0.651 1
1 248 . 12 1 1 A 61 61 PHE H H 61 6.850 8.717 -1.867 1
1 249 . 12 1 1 A 61 61 PHE HA H 61 4.510 4.241 0.269 1
1 257 . 12 1 1 A 61 61 PHE CA C 61 58.310 60.643 -2.333 1
1 258 . 12 1 1 A 61 61 PHE CB C 61 38.920 38.925 -0.005 1
1 259 . 12 1 1 A 61 61 PHE N N 61 109.700 116.624 -6.924 1
1 260 . 12 1 1 A 62 62 GLY H H 62 7.800 7.096 0.704 1
1 261 . 12 1 1 A 62 62 GLY HA2 H 62 4.090 3.979 0.111 1
1 262 . 12 1 1 A 62 62 GLY HA3 H 62 4.290 4.103 0.187 1
1 263 . 12 1 1 A 62 62 GLY CA C 62 45.290 45.911 -0.621 1
1 264 . 12 1 1 A 62 62 GLY N N 62 106.520 103.961 2.559 1
1 265 . 12 1 1 A 63 63 ASN H H 63 8.520 8.566 -0.046 1
1 266 . 12 1 1 A 63 63 ASN HA H 63 4.920 5.486 -0.566 1
1 271 . 12 1 1 A 63 63 ASN CA C 63 52.930 52.472 0.458 1
1 272 . 12 1 1 A 63 63 ASN CB C 63 38.630 40.874 -2.244 1
1 273 . 12 1 1 A 63 63 ASN N N 63 117.020 118.736 -1.716 1
1 275 . 12 1 1 A 64 64 ILE H H 64 8.750 9.047 -0.297 1
1 276 . 12 1 1 A 64 64 ILE HA H 64 4.100 4.817 -0.717 1
1 286 . 12 1 1 A 64 64 ILE CA C 64 61.940 60.407 1.533 1
1 287 . 12 1 1 A 64 64 ILE CB C 64 38.780 39.353 -0.573 1
1 291 . 12 1 1 A 64 64 ILE N N 64 127.930 125.084 2.846 1
1 292 . 12 1 1 A 65 65 ILE H H 65 8.910 8.599 0.311 1
1 293 . 12 1 1 A 65 65 ILE HA H 65 4.490 4.394 0.096 1
1 303 . 12 1 1 A 65 65 ILE CA C 65 61.310 61.446 -0.136 1
1 304 . 12 1 1 A 65 65 ILE CB C 65 38.470 38.924 -0.454 1
1 308 . 12 1 1 A 65 65 ILE N N 65 124.530 121.979 2.551 1
1 309 . 12 1 1 A 66 66 ASP H H 66 7.520 7.805 -0.285 1
1 310 . 12 1 1 A 66 66 ASP HA H 66 4.700 5.055 -0.355 1
1 313 . 12 1 1 A 66 66 ASP CA C 66 55.520 53.716 1.804 1
1 314 . 12 1 1 A 66 66 ASP CB C 66 45.290 44.194 1.096 1
1 315 . 12 1 1 A 66 66 ASP N N 66 119.140 120.995 -1.855 1
1 316 . 12 1 1 A 67 67 LEU H H 67 8.230 8.959 -0.729 1
1 317 . 12 1 1 A 67 67 LEU HA H 67 4.980 5.120 -0.140 1
1 326 . 12 1 1 A 67 67 LEU CA C 67 54.980 53.409 1.571 1
1 327 . 12 1 1 A 67 67 LEU CB C 67 44.440 44.972 -0.532 1
1 330 . 12 1 1 A 67 67 LEU N N 67 127.890 128.473 -0.583 1
1 331 . 12 1 1 A 68 68 SER H H 68 8.810 9.133 -0.323 1
1 332 . 12 1 1 A 68 68 SER HA H 68 4.970 5.471 -0.501 1
1 335 . 12 1 1 A 68 68 SER CA C 68 57.170 57.109 0.061 1
1 336 . 12 1 1 A 68 68 SER CB C 68 65.320 66.017 -0.697 1
1 337 . 12 1 1 A 68 68 SER N N 68 122.560 124.691 -2.131 1
1 338 . 12 1 1 A 69 69 MET H H 69 9.050 8.957 0.093 1
1 339 . 12 1 1 A 69 69 MET HA H 69 4.740 5.219 -0.479 1
1 345 . 12 1 1 A 69 69 MET CA C 69 54.520 54.133 0.387 1
1 348 . 12 1 1 A 69 69 MET N N 69 122.420 123.304 -0.884 1
1 349 . 12 1 1 A 70 70 ASP H H 70 8.620 8.921 -0.301 1
1 350 . 12 1 1 A 70 70 ASP HA H 70 5.140 5.279 -0.139 1
1 353 . 12 1 1 A 70 70 ASP CA C 70 51.410 50.732 0.678 1
1 354 . 12 1 1 A 70 70 ASP CB C 70 40.930 42.416 -1.486 1
1 355 . 12 1 1 A 70 70 ASP N N 70 120.620 122.507 -1.887 1
1 356 . 12 1 1 A 71 71 PRO HA H 71 4.760 4.410 0.350 1
1 359 . 12 1 1 A 71 71 PRO CA C 71 66.380 64.395 1.985 1
1 361 . 12 1 1 A 72 72 PRO HA H 72 4.520 4.342 0.178 1
1 368 . 12 1 1 A 72 72 PRO CA C 72 65.750 65.386 0.364 1
1 369 . 12 1 1 A 72 72 PRO CB C 72 31.570 30.918 0.652 1
1 371 . 12 1 1 A 73 73 ARG H H 73 7.360 7.922 -0.562 1
1 372 . 12 1 1 A 73 73 ARG HA H 73 4.570 4.608 -0.038 1
1 378 . 12 1 1 A 73 73 ARG CA C 73 55.160 56.519 -1.359 1
1 379 . 12 1 1 A 73 73 ARG CB C 73 29.000 30.853 -1.853 1
1 382 . 12 1 1 A 73 73 ARG N N 73 114.560 117.740 -3.180 1
1 383 . 12 1 1 A 74 74 ASN H H 74 8.440 7.965 0.475 1
1 384 . 12 1 1 A 74 74 ASN HA H 74 4.270 4.132 0.138 1
1 389 . 12 1 1 A 74 74 ASN CA C 74 53.830 54.549 -0.719 1
1 390 . 12 1 1 A 74 74 ASN CB C 74 37.500 36.426 1.074 1
1 391 . 12 1 1 A 74 74 ASN N N 74 115.460 115.423 0.037 1
1 393 . 12 1 1 A 75 75 CYS H H 75 7.270 7.481 -0.211 1
1 394 . 12 1 1 A 75 75 CYS HA H 75 5.730 5.237 0.493 1
1 396 . 12 1 1 A 75 75 CYS CA C 75 55.420 57.049 -1.629 1
1 397 . 12 1 1 A 75 75 CYS CB C 75 32.640 30.727 1.913 1
1 398 . 12 1 1 A 75 75 CYS N N 75 127.180 113.616 13.564 1
1 399 . 12 1 1 A 76 76 ALA H H 76 8.590 8.336 0.254 1
1 403 . 12 1 1 A 76 76 ALA CB C 76 24.400 22.331 2.069 1
1 404 . 12 1 1 A 76 76 ALA N N 76 122.120 124.996 -2.876 1
1 405 . 12 1 1 A 77 77 PHE H H 77 8.780 9.712 -0.932 1
1 406 . 12 1 1 A 77 77 PHE HA H 77 5.620 5.683 -0.063 1
1 407 . 12 1 1 A 77 77 PHE CA C 77 55.850 56.544 -0.694 1
1 408 . 12 1 1 A 77 77 PHE N N 77 115.390 118.050 -2.660 1
1 409 . 12 1 1 A 78 78 VAL H H 78 8.580 8.692 -0.112 1
1 410 . 12 1 1 A 78 78 VAL HA H 78 4.300 4.567 -0.267 1
1 418 . 12 1 1 A 78 78 VAL CA C 78 60.960 60.513 0.447 1
1 419 . 12 1 1 A 78 78 VAL CB C 78 34.360 33.914 0.446 1
1 422 . 12 1 1 A 78 78 VAL N N 78 126.440 122.467 3.973 1
1 423 . 12 1 1 A 79 79 THR H H 79 8.960 8.311 0.649 1
1 424 . 12 1 1 A 79 79 THR HA H 79 5.330 5.348 -0.018 1
1 429 . 12 1 1 A 79 79 THR CA C 79 61.940 61.920 0.020 1
1 430 . 12 1 1 A 79 79 THR CB C 79 69.910 70.269 -0.359 1
1 432 . 12 1 1 A 79 79 THR N N 79 123.990 123.571 0.419 1
1 433 . 12 1 1 A 80 80 TYR H H 80 8.880 9.283 -0.403 1
1 434 . 12 1 1 A 80 80 TYR HA H 80 5.400 4.960 0.440 1
1 437 . 12 1 1 A 80 80 TYR CA C 80 57.660 56.361 1.299 1
1 438 . 12 1 1 A 80 80 TYR CB C 80 42.220 41.536 0.684 1
1 439 . 12 1 1 A 80 80 TYR N N 80 126.670 125.423 1.247 1
1 440 . 12 1 1 A 81 81 GLU H H 81 8.490 8.699 -0.209 1
1 441 . 12 1 1 A 81 81 GLU HA H 81 4.110 4.169 -0.059 1
1 446 . 12 1 1 A 81 81 GLU CA C 81 59.290 59.511 -0.221 1
1 447 . 12 1 1 A 81 81 GLU CB C 81 31.210 29.640 1.570 1
1 449 . 12 1 1 A 81 81 GLU N N 81 119.690 124.369 -4.679 1
1 450 . 12 1 1 A 82 82 LYS H H 82 8.460 7.773 0.687 1
1 451 . 12 1 1 A 82 82 LYS HA H 82 5.020 4.684 0.336 1
1 457 . 12 1 1 A 82 82 LYS CA C 82 54.140 54.756 -0.616 1
1 458 . 12 1 1 A 82 82 LYS CB C 82 34.420 35.836 -1.416 1
1 462 . 12 1 1 A 82 82 LYS N N 82 113.920 117.152 -3.232 1
1 463 . 12 1 1 A 83 83 MET H H 83 9.100 9.055 0.045 1
1 464 . 12 1 1 A 83 83 MET HA H 83 4.070 4.254 -0.184 1
1 468 . 12 1 1 A 83 83 MET CA C 83 59.570 57.924 1.646 1
1 469 . 12 1 1 A 83 83 MET CB C 83 32.420 31.634 0.786 1
1 471 . 12 1 1 A 83 83 MET N N 83 122.530 121.755 0.775 1
1 472 . 12 1 1 A 84 84 GLU H H 84 9.690 7.876 1.814 1
1 473 . 12 1 1 A 84 84 GLU HA H 84 4.240 4.081 0.159 1
1 477 . 12 1 1 A 84 84 GLU CA C 84 60.040 59.306 0.734 1
1 478 . 12 1 1 A 84 84 GLU CB C 84 28.640 29.157 -0.517 1
1 480 . 12 1 1 A 84 84 GLU N N 84 117.940 119.869 -1.929 1
1 481 . 12 1 1 A 85 85 SER H H 85 7.110 7.753 -0.643 1
1 482 . 12 1 1 A 85 85 SER HA H 85 4.130 3.924 0.206 1
1 485 . 12 1 1 A 85 85 SER CA C 85 61.840 61.337 0.503 1
1 486 . 12 1 1 A 85 85 SER CB C 85 62.400 62.130 0.270 1
1 487 . 12 1 1 A 85 85 SER N N 85 115.500 116.409 -0.909 1
1 488 . 12 1 1 A 86 86 ALA H H 86 6.860 7.914 -1.054 1
1 489 . 12 1 1 A 86 86 ALA HA H 86 4.080 4.477 -0.397 1
1 493 . 12 1 1 A 86 86 ALA CA C 86 55.210 54.906 0.304 1
1 494 . 12 1 1 A 86 86 ALA CB C 86 18.070 18.490 -0.420 1
1 495 . 12 1 1 A 86 86 ALA N N 86 122.760 123.428 -0.668 1
1 496 . 12 1 1 A 87 87 ASP H H 87 7.680 8.003 -0.323 1
1 497 . 12 1 1 A 87 87 ASP HA H 87 4.390 4.357 0.033 1
1 500 . 12 1 1 A 87 87 ASP CA C 87 57.470 57.852 -0.382 1
1 501 . 12 1 1 A 87 87 ASP CB C 87 40.850 41.740 -0.890 1
1 502 . 12 1 1 A 87 87 ASP N N 87 115.980 118.840 -2.860 1
1 503 . 12 1 1 A 88 88 GLN H H 88 7.670 7.975 -0.305 1
1 504 . 12 1 1 A 88 88 GLN HA H 88 4.040 4.151 -0.111 1
1 511 . 12 1 1 A 88 88 GLN CA C 88 58.500 58.991 -0.491 1
1 512 . 12 1 1 A 88 88 GLN CB C 88 28.270 28.934 -0.664 1
1 514 . 12 1 1 A 88 88 GLN N N 88 119.920 119.019 0.901 1
1 516 . 12 1 1 A 89 89 ALA H H 89 7.950 7.631 0.319 1
1 517 . 12 1 1 A 89 89 ALA HA H 89 2.800 2.577 0.223 1
1 521 . 12 1 1 A 89 89 ALA CA C 89 54.930 54.472 0.458 1
1 522 . 12 1 1 A 89 89 ALA CB C 89 19.340 17.893 1.447 1
1 523 . 12 1 1 A 89 89 ALA N N 89 121.330 121.686 -0.356 1
1 524 . 12 1 1 A 90 90 VAL H H 90 8.030 9.040 -1.010 1
1 525 . 12 1 1 A 90 90 VAL HA H 90 3.370 3.547 -0.177 1
1 533 . 12 1 1 A 90 90 VAL CA C 90 67.090 66.453 0.637 1
1 534 . 12 1 1 A 90 90 VAL CB C 90 32.180 31.622 0.558 1
1 537 . 12 1 1 A 90 90 VAL N N 90 116.630 118.227 -1.597 1
1 538 . 12 1 1 A 91 91 ALA H H 91 7.350 8.254 -0.904 1
1 539 . 12 1 1 A 91 91 ALA HA H 91 4.130 4.189 -0.059 1
1 543 . 12 1 1 A 91 91 ALA CA C 91 54.810 55.187 -0.377 1
1 544 . 12 1 1 A 91 91 ALA CB C 91 18.330 18.438 -0.108 1
1 545 . 12 1 1 A 91 91 ALA N N 91 119.620 121.643 -2.023 1
1 546 . 12 1 1 A 92 92 GLU H H 92 7.960 8.017 -0.057 1
1 547 . 12 1 1 A 92 92 GLU HA H 92 4.360 4.213 0.147 1
1 552 . 12 1 1 A 92 92 GLU CA C 92 57.930 58.665 -0.735 1
1 553 . 12 1 1 A 92 92 GLU CB C 92 30.980 30.053 0.927 1
1 555 . 12 1 1 A 92 92 GLU N N 92 113.770 118.336 -4.566 1
1 556 . 12 1 1 A 93 93 LEU H H 93 8.310 8.545 -0.235 1
1 557 . 12 1 1 A 93 93 LEU HA H 93 4.620 3.951 0.669 1
1 567 . 12 1 1 A 93 93 LEU CA C 93 55.810 57.633 -1.823 1
1 568 . 12 1 1 A 93 93 LEU CB C 93 44.130 41.229 2.901 1
1 572 . 12 1 1 A 93 93 LEU N N 93 114.550 119.079 -4.529 1
1 573 . 12 1 1 A 94 94 ASN H H 94 7.910 7.619 0.291 1
1 574 . 12 1 1 A 94 94 ASN HA H 94 4.430 4.342 0.088 1
1 577 . 12 1 1 A 94 94 ASN CA C 94 56.690 54.982 1.708 1
1 578 . 12 1 1 A 94 94 ASN N N 94 116.840 117.647 -0.807 1
1 580 . 12 1 1 A 95 95 GLY H H 95 8.890 8.739 0.151 1
1 581 . 12 1 1 A 95 95 GLY HA2 H 95 3.960 3.924 0.036 1
1 582 . 12 1 1 A 95 95 GLY HA3 H 95 4.290 3.925 0.365 1
1 583 . 12 1 1 A 95 95 GLY CA C 95 46.090 45.999 0.091 1
1 584 . 12 1 1 A 95 95 GLY N N 95 116.350 113.671 2.679 1
1 585 . 12 1 1 A 96 96 THR H H 96 7.860 7.688 0.172 1
1 586 . 12 1 1 A 96 96 THR HA H 96 4.660 4.956 -0.296 1
1 591 . 12 1 1 A 96 96 THR CA C 96 60.880 59.266 1.614 1
1 592 . 12 1 1 A 96 96 THR CB C 96 71.090 72.248 -1.158 1
1 594 . 12 1 1 A 96 96 THR N N 96 113.920 110.803 3.117 1
1 595 . 12 1 1 A 97 97 GLN H H 97 8.360 8.738 -0.378 1
1 596 . 12 1 1 A 97 97 GLN HA H 97 5.210 5.127 0.083 1
1 602 . 12 1 1 A 97 97 GLN CA C 97 54.170 53.998 0.172 1
1 603 . 12 1 1 A 97 97 GLN CB C 97 30.470 32.256 -1.786 1
1 605 . 12 1 1 A 97 97 GLN N N 97 119.550 121.188 -1.638 1
1 607 . 12 1 1 A 98 98 VAL H H 98 8.900 9.366 -0.466 1
1 608 . 12 1 1 A 98 98 VAL HA H 98 4.200 4.453 -0.253 1
1 616 . 12 1 1 A 98 98 VAL CA C 98 61.350 60.973 0.377 1
1 617 . 12 1 1 A 98 98 VAL CB C 98 33.600 32.541 1.059 1
1 620 . 12 1 1 A 98 98 VAL N N 98 127.260 124.918 2.342 1
1 621 . 12 1 1 A 99 99 GLU H H 99 9.160 8.520 0.640 1
1 622 . 12 1 1 A 99 99 GLU HA H 99 3.820 4.074 -0.254 1
1 625 . 12 1 1 A 99 99 GLU CA C 99 57.950 59.196 -1.246 1
1 626 . 12 1 1 A 99 99 GLU CB C 99 27.110 30.091 -2.981 1
1 628 . 12 1 1 A 99 99 GLU N N 99 124.200 123.466 0.734 1
1 629 . 12 1 1 A 100 100 SER H H 100 8.330 7.790 0.540 1
1 630 . 12 1 1 A 100 100 SER HA H 100 4.280 4.692 -0.412 1
1 633 . 12 1 1 A 100 100 SER CA C 100 59.780 57.382 2.398 1
1 634 . 12 1 1 A 100 100 SER CB C 100 63.300 64.175 -0.875 1
1 635 . 12 1 1 A 100 100 SER N N 100 111.660 113.279 -1.619 1
1 636 . 12 1 1 A 101 101 VAL H H 101 8.410 7.617 0.793 1
1 637 . 12 1 1 A 101 101 VAL HA H 101 4.210 4.744 -0.534 1
1 645 . 12 1 1 A 101 101 VAL CA C 101 62.080 60.415 1.665 1
1 646 . 12 1 1 A 101 101 VAL CB C 101 33.200 36.502 -3.302 1
1 649 . 12 1 1 A 101 101 VAL N N 101 124.550 121.432 3.118 1
1 650 . 12 1 1 A 102 102 GLN H H 102 8.510 8.667 -0.157 1
1 651 . 12 1 1 A 102 102 GLN HA H 102 4.590 4.990 -0.400 1
1 658 . 12 1 1 A 102 102 GLN CA C 102 55.090 54.712 0.378 1
1 659 . 12 1 1 A 102 102 GLN CB C 102 28.620 30.784 -2.164 1
1 661 . 12 1 1 A 102 102 GLN N N 102 127.320 124.487 2.833 1
1 663 . 12 1 1 A 103 103 LEU H H 103 8.710 8.958 -0.248 1
1 664 . 12 1 1 A 103 103 LEU HA H 103 5.050 5.071 -0.021 1
1 674 . 12 1 1 A 103 103 LEU CA C 103 54.740 53.279 1.461 1
1 675 . 12 1 1 A 103 103 LEU CB C 103 44.820 44.568 0.252 1
1 679 . 12 1 1 A 103 103 LEU N N 103 126.610 124.806 1.804 1
1 680 . 12 1 1 A 104 104 LYS H H 104 8.690 8.825 -0.135 1
1 681 . 12 1 1 A 104 104 LYS HA H 104 5.030 5.057 -0.027 1
1 688 . 12 1 1 A 104 104 LYS CA C 104 55.480 54.810 0.670 1
1 689 . 12 1 1 A 104 104 LYS CB C 104 34.520 35.678 -1.158 1
1 693 . 12 1 1 A 104 104 LYS N N 104 124.080 122.725 1.355 1
1 694 . 12 1 1 A 105 105 VAL H H 105 9.050 8.705 0.345 1
1 695 . 12 1 1 A 105 105 VAL HA H 105 5.190 5.153 0.037 1
1 703 . 12 1 1 A 105 105 VAL CA C 105 60.840 60.508 0.332 1
1 704 . 12 1 1 A 105 105 VAL CB C 105 35.660 35.432 0.228 1
1 707 . 12 1 1 A 105 105 VAL N N 105 123.920 122.577 1.343 1
1 708 . 12 1 1 A 106 106 ASN H H 106 9.300 8.847 0.453 1
1 709 . 12 1 1 A 106 106 ASN HA H 106 5.220 5.279 -0.059 1
1 714 . 12 1 1 A 106 106 ASN CA C 106 51.630 51.947 -0.317 1
1 715 . 12 1 1 A 106 106 ASN CB C 106 43.840 42.753 1.087 1
1 716 . 12 1 1 A 106 106 ASN N N 106 122.780 121.585 1.195 1
1 718 . 12 1 1 A 107 107 ILE H H 107 9.050 8.611 0.439 1
1 719 . 12 1 1 A 107 107 ILE HA H 107 4.160 5.023 -0.863 1
1 729 . 12 1 1 A 107 107 ILE CA C 107 61.670 59.936 1.734 1
1 730 . 12 1 1 A 107 107 ILE CB C 107 36.140 40.511 -4.371 1
1 733 . 12 1 1 A 107 107 ILE N N 107 122.980 120.513 2.467 1
1 734 . 12 1 1 A 108 108 ALA H H 108 8.740 8.690 0.050 1
1 735 . 12 1 1 A 108 108 ALA HA H 108 4.780 5.247 -0.467 1
1 739 . 12 1 1 A 108 108 ALA CA C 108 52.620 50.279 2.341 1
1 740 . 12 1 1 A 108 108 ALA CB C 108 19.570 24.175 -4.605 1
1 741 . 12 1 1 A 108 108 ALA N N 108 131.610 128.585 3.025 1
1 742 . 12 1 1 A 109 109 ARG HA H 109 4.390 4.591 -0.201 1
1 746 . 12 1 1 A 109 109 ARG CA C 109 56.120 55.434 0.686 1
1 747 . 12 1 1 A 109 109 ARG CB C 109 31.010 30.205 0.805 1
1 749 . 12 1 1 A 111 111 GLN HA H 111 4.630 4.677 -0.047 1
1 754 . 12 1 1 A 111 111 GLN CA C 111 55.160 52.992 2.168 1
1 755 . 12 1 1 A 111 111 GLN CB C 111 32.900 29.133 3.767 1
1 757 . 12 1 1 A 112 112 PRO HA H 112 4.370 4.494 -0.124 1
1 761 . 12 1 1 A 112 112 PRO CA C 112 64.090 63.949 0.141 1
1 762 . 12 1 1 A 112 112 PRO CB C 112 32.650 32.081 0.569 1
1 767 . 12 1 1 A 114 114 LEU H H 114 7.710 7.871 -0.161 1
1 768 . 12 1 1 A 114 114 LEU HA H 114 4.440 4.597 -0.157 1
1 777 . 12 1 1 A 114 114 LEU CB C 114 42.640 43.397 -0.757 1
1 780 . 12 1 1 A 114 114 LEU N N 114 123.050 119.211 3.839 1
1 781 . 12 1 1 A 115 115 ASP H H 115 8.440 8.145 0.295 1
1 782 . 12 1 1 A 115 115 ASP HA H 115 4.610 4.279 0.331 1
1 785 . 12 1 1 A 115 115 ASP CA C 115 54.620 55.592 -0.972 1
1 786 . 12 1 1 A 115 115 ASP CB C 115 40.720 39.024 1.696 1
1 787 . 12 1 1 A 115 115 ASP N N 115 119.520 116.043 3.477 1
1 788 . 12 1 1 A 116 116 ALA H H 116 8.060 7.834 0.226 1
1 789 . 12 1 1 A 116 116 ALA HA H 116 4.320 4.361 -0.041 1
1 793 . 12 1 1 A 116 116 ALA CA C 116 53.080 54.841 -1.761 1
1 794 . 12 1 1 A 116 116 ALA CB C 116 19.000 17.933 1.067 1
1 795 . 12 1 1 A 116 116 ALA N N 116 123.460 113.479 9.981 1
1 796 . 12 1 1 A 117 117 ALA H H 117 8.110 8.093 0.017 1
1 797 . 12 1 1 A 117 117 ALA HA H 117 4.640 4.498 0.142 1
1 801 . 12 1 1 A 117 117 ALA CA C 117 52.600 51.895 0.705 1
1 802 . 12 1 1 A 117 117 ALA CB C 117 19.360 18.832 0.528 1
1 803 . 12 1 1 A 117 117 ALA N N 117 121.130 117.965 3.165 1
1 804 . 12 1 1 A 118 118 THR H H 118 8.060 8.800 -0.740 1
1 805 . 12 1 1 A 118 118 THR HA H 118 4.430 5.064 -0.634 1
1 810 . 12 1 1 A 118 118 THR CA C 118 62.130 60.442 1.688 1
1 811 . 12 1 1 A 118 118 THR CB C 118 69.840 71.616 -1.776 1
1 813 . 12 1 1 A 118 118 THR N N 118 112.100 116.864 -4.764 1
1 814 . 12 1 1 A 119 119 GLY H H 119 8.430 8.690 -0.260 1
1 815 . 12 1 1 A 119 119 GLY N N 119 111.230 111.916 -0.686 1
1 816 . 12 1 1 A 120 120 LYS H H 120 8.200 8.699 -0.499 1
1 817 . 12 1 1 A 120 120 LYS HA H 120 4.510 4.080 0.430 1
1 821 . 12 1 1 A 120 120 LYS CA C 120 56.110 58.611 -2.501 1
1 822 . 12 1 1 A 120 120 LYS CB C 120 33.270 32.523 0.747 1
1 823 . 12 1 1 A 120 120 LYS N N 120 121.180 119.808 1.372 1
1 17 . 13 1 1 A 37 37 ARG H H 37 8.370 7.416 0.954 1
1 18 . 13 1 1 A 37 37 ARG N N 37 121.030 112.644 8.386 1
1 19 . 13 1 1 A 38 38 LYS H H 38 8.150 8.450 -0.300 1
1 20 . 13 1 1 A 38 38 LYS HA H 38 4.750 4.712 0.038 1
1 25 . 13 1 1 A 38 38 LYS CA C 38 54.190 55.577 -1.387 1
1 26 . 13 1 1 A 38 38 LYS CB C 38 35.040 33.947 1.093 1
1 27 . 13 1 1 A 38 38 LYS N N 38 119.860 121.067 -1.207 1
1 28 . 13 1 1 A 39 39 GLY H H 39 8.710 8.538 0.172 1
1 29 . 13 1 1 A 39 39 GLY HA3 H 39 4.050 4.248 -0.198 1
1 30 . 13 1 1 A 39 39 GLY CA C 39 45.460 45.364 0.096 1
1 31 . 13 1 1 A 39 39 GLY N N 39 107.990 108.383 -0.393 1
1 32 . 13 1 1 A 40 40 ASN H H 40 8.300 9.835 -1.535 1
1 33 . 13 1 1 A 40 40 ASN HA H 40 4.850 5.288 -0.438 1
1 38 . 13 1 1 A 40 40 ASN CA C 40 54.110 52.398 1.712 1
1 39 . 13 1 1 A 40 40 ASN CB C 40 37.840 40.138 -2.298 1
1 40 . 13 1 1 A 40 40 ASN N N 40 115.650 123.690 -8.040 1
1 42 . 13 1 1 A 41 41 THR HA H 41 5.400 4.919 0.481 1
1 47 . 13 1 1 A 41 41 THR CA C 41 63.410 63.061 0.349 1
1 48 . 13 1 1 A 41 41 THR CB C 41 69.930 69.708 0.222 1
1 50 . 13 1 1 A 42 42 LEU H H 42 9.900 9.710 0.190 1
1 51 . 13 1 1 A 42 42 LEU HA H 42 5.090 5.132 -0.042 1
1 61 . 13 1 1 A 42 42 LEU CA C 42 53.260 53.742 -0.482 1
1 62 . 13 1 1 A 42 42 LEU CB C 42 43.590 44.540 -0.950 1
1 66 . 13 1 1 A 42 42 LEU N N 42 127.870 126.505 1.365 1
1 67 . 13 1 1 A 43 43 TYR H H 43 9.190 8.745 0.445 1
1 68 . 13 1 1 A 43 43 TYR HA H 43 4.420 4.875 -0.455 1
1 71 . 13 1 1 A 43 43 TYR CB C 43 40.310 39.858 0.452 1
1 72 . 13 1 1 A 43 43 TYR N N 43 124.140 124.972 -0.832 1
1 73 . 13 1 1 A 44 44 VAL H H 44 7.980 8.696 -0.716 1
1 74 . 13 1 1 A 44 44 VAL HA H 44 4.810 5.166 -0.356 1
1 82 . 13 1 1 A 44 44 VAL CA C 44 59.320 61.249 -1.929 1
1 83 . 13 1 1 A 44 44 VAL CB C 44 34.360 33.957 0.403 1
1 86 . 13 1 1 A 44 44 VAL N N 44 127.360 127.977 -0.617 1
1 87 . 13 1 1 A 45 45 TYR H H 45 9.020 9.357 -0.337 1
1 88 . 13 1 1 A 45 45 TYR HA H 45 4.980 5.426 -0.446 1
1 94 . 13 1 1 A 45 45 TYR CA C 45 55.680 55.775 -0.095 1
1 95 . 13 1 1 A 45 45 TYR CB C 45 42.210 42.166 0.044 1
1 96 . 13 1 1 A 45 45 TYR N N 45 126.390 128.625 -2.235 1
1 97 . 13 1 1 A 46 46 GLY H H 46 7.510 7.296 0.214 1
1 98 . 13 1 1 A 46 46 GLY HA2 H 46 3.830 3.995 -0.165 1
1 99 . 13 1 1 A 46 46 GLY HA3 H 46 3.830 4.039 -0.209 1
1 100 . 13 1 1 A 46 46 GLY CA C 46 45.360 45.357 0.003 1
1 101 . 13 1 1 A 46 46 GLY N N 46 114.220 110.894 3.326 1
1 102 . 13 1 1 A 47 47 GLU H H 47 8.750 8.682 0.068 1
1 103 . 13 1 1 A 47 47 GLU HA H 47 3.990 4.577 -0.587 1
1 108 . 13 1 1 A 47 47 GLU CA C 47 56.720 55.006 1.714 1
1 109 . 13 1 1 A 47 47 GLU CB C 47 30.460 32.343 -1.883 1
1 111 . 13 1 1 A 47 47 GLU N N 47 123.880 119.988 3.892 1
1 112 . 13 1 1 A 48 48 ASP H H 48 8.540 8.655 -0.115 1
1 113 . 13 1 1 A 48 48 ASP HA H 48 4.250 4.067 0.183 1
1 116 . 13 1 1 A 48 48 ASP CA C 48 55.210 55.170 0.040 1
1 117 . 13 1 1 A 48 48 ASP CB C 48 39.150 39.290 -0.140 1
1 118 . 13 1 1 A 48 48 ASP N N 48 117.200 117.934 -0.734 1
1 119 . 13 1 1 A 49 49 MET H H 49 8.190 7.599 0.591 1
1 120 . 13 1 1 A 49 49 MET HA H 49 4.120 5.061 -0.941 1
1 126 . 13 1 1 A 49 49 MET CA C 49 57.510 53.985 3.525 1
1 127 . 13 1 1 A 49 49 MET CB C 49 34.620 34.746 -0.126 1
1 129 . 13 1 1 A 49 49 MET N N 49 114.560 117.750 -3.190 1
1 130 . 13 1 1 A 50 50 THR H H 50 6.510 8.637 -2.127 1
1 131 . 13 1 1 A 50 50 THR HA H 50 5.020 4.958 0.062 1
1 136 . 13 1 1 A 50 50 THR CA C 50 57.960 58.494 -0.534 1
1 137 . 13 1 1 A 50 50 THR CB C 50 70.150 70.049 0.101 1
1 139 . 13 1 1 A 50 50 THR N N 50 108.060 114.423 -6.363 1
1 140 . 13 1 1 A 51 51 PRO HA H 51 4.340 4.260 0.080 1
1 146 . 13 1 1 A 51 51 PRO CA C 51 65.790 65.769 0.021 1
1 147 . 13 1 1 A 51 51 PRO CB C 51 31.780 31.591 0.189 1
1 150 . 13 1 1 A 52 52 THR H H 52 7.640 7.810 -0.170 1
1 151 . 13 1 1 A 52 52 THR HA H 52 3.980 3.957 0.023 1
1 156 . 13 1 1 A 52 52 THR CA C 52 66.160 65.912 0.248 1
1 157 . 13 1 1 A 52 52 THR CB C 52 68.430 68.648 -0.218 1
1 159 . 13 1 1 A 52 52 THR N N 52 111.520 111.453 0.067 1
1 160 . 13 1 1 A 53 53 LEU H H 53 7.810 8.046 -0.236 1
1 161 . 13 1 1 A 53 53 LEU HA H 53 4.130 4.056 0.074 1
1 171 . 13 1 1 A 53 53 LEU CA C 53 58.360 58.411 -0.051 1
1 172 . 13 1 1 A 53 53 LEU CB C 53 42.970 41.640 1.330 1
1 176 . 13 1 1 A 53 53 LEU N N 53 125.410 121.361 4.049 1
1 177 . 13 1 1 A 54 54 LEU H H 54 7.840 8.150 -0.310 1
1 178 . 13 1 1 A 54 54 LEU HA H 54 4.260 4.005 0.255 1
1 188 . 13 1 1 A 54 54 LEU CA C 54 57.580 58.290 -0.710 1
1 189 . 13 1 1 A 54 54 LEU CB C 54 42.330 41.701 0.629 1
1 193 . 13 1 1 A 54 54 LEU N N 54 117.150 119.044 -1.894 1
1 194 . 13 1 1 A 55 55 ARG H H 55 9.020 9.023 -0.003 1
1 195 . 13 1 1 A 55 55 ARG HA H 55 3.880 4.121 -0.241 1
1 202 . 13 1 1 A 55 55 ARG CA C 55 60.890 59.181 1.709 1
1 203 . 13 1 1 A 55 55 ARG CB C 55 29.580 29.798 -0.218 1
1 206 . 13 1 1 A 55 55 ARG N N 55 120.050 117.455 2.595 1
1 207 . 13 1 1 A 56 56 GLY H H 56 8.180 8.291 -0.111 1
1 208 . 13 1 1 A 56 56 GLY HA2 H 56 3.940 3.829 0.111 1
1 209 . 13 1 1 A 56 56 GLY HA3 H 56 4.100 3.844 0.256 1
1 210 . 13 1 1 A 56 56 GLY CA C 56 47.210 46.967 0.243 1
1 211 . 13 1 1 A 56 56 GLY N N 56 106.700 108.066 -1.366 1
1 212 . 13 1 1 A 57 57 ALA H H 57 7.830 8.225 -0.395 1
1 213 . 13 1 1 A 57 57 ALA HA H 57 4.360 4.129 0.231 1
1 217 . 13 1 1 A 57 57 ALA CA C 57 53.590 54.358 -0.768 1
1 218 . 13 1 1 A 57 57 ALA CB C 57 19.050 18.355 0.695 1
1 219 . 13 1 1 A 57 57 ALA N N 57 120.270 124.320 -4.050 1
1 220 . 13 1 1 A 58 58 PHE H H 58 8.600 8.338 0.262 1
1 221 . 13 1 1 A 58 58 PHE HA H 58 4.790 5.427 -0.637 1
1 227 . 13 1 1 A 58 58 PHE CA C 58 60.210 57.656 2.554 1
1 228 . 13 1 1 A 58 58 PHE CB C 58 38.390 39.589 -1.199 1
1 229 . 13 1 1 A 58 58 PHE N N 58 110.250 116.471 -6.221 1
1 230 . 13 1 1 A 59 59 SER H H 59 8.610 8.013 0.597 1
1 231 . 13 1 1 A 59 59 SER HA H 59 4.810 4.390 0.420 1
1 234 . 13 1 1 A 59 59 SER CA C 59 63.540 63.164 0.376 1
1 235 . 13 1 1 A 59 59 SER CB C 59 62.910 62.833 0.077 1
1 236 . 13 1 1 A 59 59 SER N N 59 122.860 116.277 6.583 1
1 237 . 13 1 1 A 60 60 PRO HA H 60 4.280 4.338 -0.058 1
1 244 . 13 1 1 A 60 60 PRO CA C 60 65.680 65.616 0.064 1
1 245 . 13 1 1 A 60 60 PRO CB C 60 31.420 30.723 0.697 1
1 248 . 13 1 1 A 61 61 PHE H H 61 6.850 8.583 -1.733 1
1 249 . 13 1 1 A 61 61 PHE HA H 61 4.510 4.246 0.264 1
1 257 . 13 1 1 A 61 61 PHE CA C 61 58.310 60.658 -2.348 1
1 258 . 13 1 1 A 61 61 PHE CB C 61 38.920 38.654 0.266 1
1 259 . 13 1 1 A 61 61 PHE N N 61 109.700 116.488 -6.788 1
1 260 . 13 1 1 A 62 62 GLY H H 62 7.800 7.610 0.190 1
1 261 . 13 1 1 A 62 62 GLY HA2 H 62 4.090 4.050 0.040 1
1 262 . 13 1 1 A 62 62 GLY HA3 H 62 4.290 4.129 0.161 1
1 263 . 13 1 1 A 62 62 GLY CA C 62 45.290 46.020 -0.730 1
1 264 . 13 1 1 A 62 62 GLY N N 62 106.520 104.398 2.122 1
1 265 . 13 1 1 A 63 63 ASN H H 63 8.520 8.601 -0.081 1
1 266 . 13 1 1 A 63 63 ASN HA H 63 4.920 5.385 -0.465 1
1 271 . 13 1 1 A 63 63 ASN CA C 63 52.930 52.703 0.227 1
1 272 . 13 1 1 A 63 63 ASN CB C 63 38.630 40.437 -1.807 1
1 273 . 13 1 1 A 63 63 ASN N N 63 117.020 119.088 -2.068 1
1 275 . 13 1 1 A 64 64 ILE H H 64 8.750 9.110 -0.360 1
1 276 . 13 1 1 A 64 64 ILE HA H 64 4.100 4.536 -0.436 1
1 286 . 13 1 1 A 64 64 ILE CA C 64 61.940 61.019 0.921 1
1 287 . 13 1 1 A 64 64 ILE CB C 64 38.780 39.268 -0.488 1
1 291 . 13 1 1 A 64 64 ILE N N 64 127.930 123.856 4.074 1
1 292 . 13 1 1 A 65 65 ILE H H 65 8.910 8.934 -0.024 1
1 293 . 13 1 1 A 65 65 ILE HA H 65 4.490 4.419 0.071 1
1 303 . 13 1 1 A 65 65 ILE CA C 65 61.310 61.377 -0.067 1
1 304 . 13 1 1 A 65 65 ILE CB C 65 38.470 39.045 -0.575 1
1 308 . 13 1 1 A 65 65 ILE N N 65 124.530 121.014 3.516 1
1 309 . 13 1 1 A 66 66 ASP H H 66 7.520 7.833 -0.313 1
1 310 . 13 1 1 A 66 66 ASP HA H 66 4.700 5.072 -0.372 1
1 313 . 13 1 1 A 66 66 ASP CA C 66 55.520 53.617 1.903 1
1 314 . 13 1 1 A 66 66 ASP CB C 66 45.290 44.693 0.597 1
1 315 . 13 1 1 A 66 66 ASP N N 66 119.140 120.712 -1.572 1
1 316 . 13 1 1 A 67 67 LEU H H 67 8.230 8.991 -0.761 1
1 317 . 13 1 1 A 67 67 LEU HA H 67 4.980 4.921 0.059 1
1 326 . 13 1 1 A 67 67 LEU CA C 67 54.980 53.491 1.489 1
1 327 . 13 1 1 A 67 67 LEU CB C 67 44.440 44.339 0.101 1
1 330 . 13 1 1 A 67 67 LEU N N 67 127.890 126.920 0.970 1
1 331 . 13 1 1 A 68 68 SER H H 68 8.810 9.096 -0.286 1
1 332 . 13 1 1 A 68 68 SER HA H 68 4.970 5.258 -0.288 1
1 335 . 13 1 1 A 68 68 SER CA C 68 57.170 56.733 0.437 1
1 336 . 13 1 1 A 68 68 SER CB C 68 65.320 65.031 0.289 1
1 337 . 13 1 1 A 68 68 SER N N 68 122.560 123.234 -0.674 1
1 338 . 13 1 1 A 69 69 MET H H 69 9.050 8.783 0.267 1
1 339 . 13 1 1 A 69 69 MET HA H 69 4.740 4.989 -0.249 1
1 345 . 13 1 1 A 69 69 MET CA C 69 54.520 54.056 0.464 1
1 348 . 13 1 1 A 69 69 MET N N 69 122.420 123.501 -1.081 1
1 349 . 13 1 1 A 70 70 ASP H H 70 8.620 8.675 -0.055 1
1 350 . 13 1 1 A 70 70 ASP HA H 70 5.140 5.122 0.018 1
1 353 . 13 1 1 A 70 70 ASP CA C 70 51.410 50.432 0.978 1
1 354 . 13 1 1 A 70 70 ASP CB C 70 40.930 41.914 -0.984 1
1 355 . 13 1 1 A 70 70 ASP N N 70 120.620 122.823 -2.203 1
1 356 . 13 1 1 A 71 71 PRO HA H 71 4.760 4.359 0.401 1
1 359 . 13 1 1 A 71 71 PRO CA C 71 66.380 64.335 2.045 1
1 361 . 13 1 1 A 72 72 PRO HA H 72 4.520 4.332 0.188 1
1 368 . 13 1 1 A 72 72 PRO CA C 72 65.750 65.155 0.595 1
1 369 . 13 1 1 A 72 72 PRO CB C 72 31.570 31.380 0.190 1
1 371 . 13 1 1 A 73 73 ARG H H 73 7.360 7.431 -0.071 1
1 372 . 13 1 1 A 73 73 ARG HA H 73 4.570 4.512 0.058 1
1 378 . 13 1 1 A 73 73 ARG CA C 73 55.160 55.387 -0.227 1
1 379 . 13 1 1 A 73 73 ARG CB C 73 29.000 30.860 -1.860 1
1 382 . 13 1 1 A 73 73 ARG N N 73 114.560 116.222 -1.662 1
1 383 . 13 1 1 A 74 74 ASN H H 74 8.440 7.926 0.514 1
1 384 . 13 1 1 A 74 74 ASN HA H 74 4.270 4.167 0.103 1
1 389 . 13 1 1 A 74 74 ASN CA C 74 53.830 54.479 -0.649 1
1 390 . 13 1 1 A 74 74 ASN CB C 74 37.500 36.593 0.907 1
1 391 . 13 1 1 A 74 74 ASN N N 74 115.460 115.148 0.312 1
1 393 . 13 1 1 A 75 75 CYS H H 75 7.270 7.369 -0.099 1
1 394 . 13 1 1 A 75 75 CYS HA H 75 5.730 5.369 0.361 1
1 396 . 13 1 1 A 75 75 CYS CA C 75 55.420 57.244 -1.824 1
1 397 . 13 1 1 A 75 75 CYS CB C 75 32.640 31.113 1.527 1
1 398 . 13 1 1 A 75 75 CYS N N 75 127.180 113.432 13.748 1
1 399 . 13 1 1 A 76 76 ALA H H 76 8.590 8.684 -0.094 1
1 403 . 13 1 1 A 76 76 ALA CB C 76 24.400 21.589 2.811 1
1 404 . 13 1 1 A 76 76 ALA N N 76 122.120 125.436 -3.316 1
1 405 . 13 1 1 A 77 77 PHE H H 77 8.780 9.119 -0.339 1
1 406 . 13 1 1 A 77 77 PHE HA H 77 5.620 5.503 0.117 1
1 407 . 13 1 1 A 77 77 PHE CA C 77 55.850 56.671 -0.821 1
1 408 . 13 1 1 A 77 77 PHE N N 77 115.390 121.177 -5.787 1
1 409 . 13 1 1 A 78 78 VAL H H 78 8.580 8.550 0.030 1
1 410 . 13 1 1 A 78 78 VAL HA H 78 4.300 4.792 -0.492 1
1 418 . 13 1 1 A 78 78 VAL CA C 78 60.960 59.560 1.400 1
1 419 . 13 1 1 A 78 78 VAL CB C 78 34.360 33.640 0.720 1
1 422 . 13 1 1 A 78 78 VAL N N 78 126.440 124.302 2.138 1
1 423 . 13 1 1 A 79 79 THR H H 79 8.960 8.568 0.392 1
1 424 . 13 1 1 A 79 79 THR HA H 79 5.330 5.392 -0.062 1
1 429 . 13 1 1 A 79 79 THR CA C 79 61.940 61.842 0.098 1
1 430 . 13 1 1 A 79 79 THR CB C 79 69.910 71.278 -1.368 1
1 432 . 13 1 1 A 79 79 THR N N 79 123.990 123.045 0.945 1
1 433 . 13 1 1 A 80 80 TYR H H 80 8.880 8.707 0.173 1
1 434 . 13 1 1 A 80 80 TYR HA H 80 5.400 5.039 0.361 1
1 437 . 13 1 1 A 80 80 TYR CA C 80 57.660 56.348 1.312 1
1 438 . 13 1 1 A 80 80 TYR CB C 80 42.220 41.187 1.033 1
1 439 . 13 1 1 A 80 80 TYR N N 80 126.670 122.923 3.747 1
1 440 . 13 1 1 A 81 81 GLU H H 81 8.490 9.058 -0.568 1
1 441 . 13 1 1 A 81 81 GLU HA H 81 4.110 4.106 0.004 1
1 446 . 13 1 1 A 81 81 GLU CA C 81 59.290 59.587 -0.297 1
1 447 . 13 1 1 A 81 81 GLU CB C 81 31.210 29.770 1.440 1
1 449 . 13 1 1 A 81 81 GLU N N 81 119.690 125.842 -6.152 1
1 450 . 13 1 1 A 82 82 LYS H H 82 8.460 7.750 0.710 1
1 451 . 13 1 1 A 82 82 LYS HA H 82 5.020 4.696 0.324 1
1 457 . 13 1 1 A 82 82 LYS CA C 82 54.140 54.778 -0.638 1
1 458 . 13 1 1 A 82 82 LYS CB C 82 34.420 36.487 -2.067 1
1 462 . 13 1 1 A 82 82 LYS N N 82 113.920 116.964 -3.044 1
1 463 . 13 1 1 A 83 83 MET H H 83 9.100 9.031 0.069 1
1 464 . 13 1 1 A 83 83 MET HA H 83 4.070 4.203 -0.133 1
1 468 . 13 1 1 A 83 83 MET CA C 83 59.570 58.182 1.388 1
1 469 . 13 1 1 A 83 83 MET CB C 83 32.420 31.675 0.745 1
1 471 . 13 1 1 A 83 83 MET N N 83 122.530 121.487 1.043 1
1 472 . 13 1 1 A 84 84 GLU H H 84 9.690 8.054 1.636 1
1 473 . 13 1 1 A 84 84 GLU HA H 84 4.240 4.020 0.220 1
1 477 . 13 1 1 A 84 84 GLU CA C 84 60.040 59.134 0.906 1
1 478 . 13 1 1 A 84 84 GLU CB C 84 28.640 29.196 -0.556 1
1 480 . 13 1 1 A 84 84 GLU N N 84 117.940 119.626 -1.686 1
1 481 . 13 1 1 A 85 85 SER H H 85 7.110 7.863 -0.753 1
1 482 . 13 1 1 A 85 85 SER HA H 85 4.130 3.878 0.252 1
1 485 . 13 1 1 A 85 85 SER CA C 85 61.840 61.219 0.621 1
1 486 . 13 1 1 A 85 85 SER CB C 85 62.400 62.563 -0.163 1
1 487 . 13 1 1 A 85 85 SER N N 85 115.500 115.574 -0.074 1
1 488 . 13 1 1 A 86 86 ALA H H 86 6.860 7.359 -0.499 1
1 489 . 13 1 1 A 86 86 ALA HA H 86 4.080 4.399 -0.319 1
1 493 . 13 1 1 A 86 86 ALA CA C 86 55.210 54.865 0.345 1
1 494 . 13 1 1 A 86 86 ALA CB C 86 18.070 18.480 -0.410 1
1 495 . 13 1 1 A 86 86 ALA N N 86 122.760 122.612 0.148 1
1 496 . 13 1 1 A 87 87 ASP H H 87 7.680 8.414 -0.734 1
1 497 . 13 1 1 A 87 87 ASP HA H 87 4.390 4.336 0.054 1
1 500 . 13 1 1 A 87 87 ASP CA C 87 57.470 57.519 -0.049 1
1 501 . 13 1 1 A 87 87 ASP CB C 87 40.850 41.206 -0.356 1
1 502 . 13 1 1 A 87 87 ASP N N 87 115.980 118.743 -2.763 1
1 503 . 13 1 1 A 88 88 GLN H H 88 7.670 8.088 -0.418 1
1 504 . 13 1 1 A 88 88 GLN HA H 88 4.040 4.098 -0.058 1
1 511 . 13 1 1 A 88 88 GLN CA C 88 58.500 58.830 -0.330 1
1 512 . 13 1 1 A 88 88 GLN CB C 88 28.270 28.903 -0.633 1
1 514 . 13 1 1 A 88 88 GLN N N 88 119.920 119.187 0.733 1
1 516 . 13 1 1 A 89 89 ALA H H 89 7.950 7.679 0.271 1
1 517 . 13 1 1 A 89 89 ALA HA H 89 2.800 2.321 0.479 1
1 521 . 13 1 1 A 89 89 ALA CA C 89 54.930 54.299 0.631 1
1 522 . 13 1 1 A 89 89 ALA CB C 89 19.340 17.774 1.566 1
1 523 . 13 1 1 A 89 89 ALA N N 89 121.330 121.665 -0.335 1
1 524 . 13 1 1 A 90 90 VAL H H 90 8.030 8.319 -0.289 1
1 525 . 13 1 1 A 90 90 VAL HA H 90 3.370 3.613 -0.243 1
1 533 . 13 1 1 A 90 90 VAL CA C 90 67.090 66.264 0.826 1
1 534 . 13 1 1 A 90 90 VAL CB C 90 32.180 31.483 0.697 1
1 537 . 13 1 1 A 90 90 VAL N N 90 116.630 118.404 -1.774 1
1 538 . 13 1 1 A 91 91 ALA H H 91 7.350 7.704 -0.354 1
1 539 . 13 1 1 A 91 91 ALA HA H 91 4.130 4.088 0.042 1
1 543 . 13 1 1 A 91 91 ALA CA C 91 54.810 55.214 -0.404 1
1 544 . 13 1 1 A 91 91 ALA CB C 91 18.330 18.836 -0.506 1
1 545 . 13 1 1 A 91 91 ALA N N 91 119.620 122.240 -2.620 1
1 546 . 13 1 1 A 92 92 GLU H H 92 7.960 8.075 -0.115 1
1 547 . 13 1 1 A 92 92 GLU HA H 92 4.360 4.034 0.326 1
1 552 . 13 1 1 A 92 92 GLU CA C 92 57.930 59.545 -1.615 1
1 553 . 13 1 1 A 92 92 GLU CB C 92 30.980 30.384 0.596 1
1 555 . 13 1 1 A 92 92 GLU N N 92 113.770 118.194 -4.424 1
1 556 . 13 1 1 A 93 93 LEU H H 93 8.310 8.323 -0.013 1
1 557 . 13 1 1 A 93 93 LEU HA H 93 4.620 4.124 0.496 1
1 567 . 13 1 1 A 93 93 LEU CA C 93 55.810 57.043 -1.233 1
1 568 . 13 1 1 A 93 93 LEU CB C 93 44.130 41.820 2.310 1
1 572 . 13 1 1 A 93 93 LEU N N 93 114.550 119.523 -4.973 1
1 573 . 13 1 1 A 94 94 ASN H H 94 7.910 7.758 0.152 1
1 574 . 13 1 1 A 94 94 ASN HA H 94 4.430 4.377 0.053 1
1 577 . 13 1 1 A 94 94 ASN CA C 94 56.690 54.891 1.799 1
1 578 . 13 1 1 A 94 94 ASN N N 94 116.840 117.653 -0.813 1
1 580 . 13 1 1 A 95 95 GLY H H 95 8.890 8.871 0.019 1
1 581 . 13 1 1 A 95 95 GLY HA2 H 95 3.960 3.962 -0.002 1
1 582 . 13 1 1 A 95 95 GLY HA3 H 95 4.290 3.967 0.323 1
1 583 . 13 1 1 A 95 95 GLY CA C 95 46.090 45.649 0.441 1
1 584 . 13 1 1 A 95 95 GLY N N 95 116.350 113.601 2.749 1
1 585 . 13 1 1 A 96 96 THR H H 96 7.860 7.696 0.164 1
1 586 . 13 1 1 A 96 96 THR HA H 96 4.660 4.995 -0.335 1
1 591 . 13 1 1 A 96 96 THR CA C 96 60.880 59.332 1.548 1
1 592 . 13 1 1 A 96 96 THR CB C 96 71.090 72.309 -1.219 1
1 594 . 13 1 1 A 96 96 THR N N 96 113.920 110.477 3.443 1
1 595 . 13 1 1 A 97 97 GLN H H 97 8.360 8.746 -0.386 1
1 596 . 13 1 1 A 97 97 GLN HA H 97 5.210 5.107 0.103 1
1 602 . 13 1 1 A 97 97 GLN CA C 97 54.170 53.938 0.232 1
1 603 . 13 1 1 A 97 97 GLN CB C 97 30.470 32.355 -1.885 1
1 605 . 13 1 1 A 97 97 GLN N N 97 119.550 120.956 -1.406 1
1 607 . 13 1 1 A 98 98 VAL H H 98 8.900 9.249 -0.349 1
1 608 . 13 1 1 A 98 98 VAL HA H 98 4.200 4.502 -0.302 1
1 616 . 13 1 1 A 98 98 VAL CA C 98 61.350 61.100 0.250 1
1 617 . 13 1 1 A 98 98 VAL CB C 98 33.600 32.446 1.154 1
1 620 . 13 1 1 A 98 98 VAL N N 98 127.260 125.656 1.604 1
1 621 . 13 1 1 A 99 99 GLU H H 99 9.160 8.523 0.637 1
1 622 . 13 1 1 A 99 99 GLU HA H 99 3.820 4.100 -0.280 1
1 625 . 13 1 1 A 99 99 GLU CA C 99 57.950 59.445 -1.495 1
1 626 . 13 1 1 A 99 99 GLU CB C 99 27.110 29.920 -2.810 1
1 628 . 13 1 1 A 99 99 GLU N N 99 124.200 123.236 0.964 1
1 629 . 13 1 1 A 100 100 SER H H 100 8.330 7.913 0.417 1
1 630 . 13 1 1 A 100 100 SER HA H 100 4.280 4.684 -0.404 1
1 633 . 13 1 1 A 100 100 SER CA C 100 59.780 57.471 2.309 1
1 634 . 13 1 1 A 100 100 SER CB C 100 63.300 64.362 -1.062 1
1 635 . 13 1 1 A 100 100 SER N N 100 111.660 108.755 2.905 1
1 636 . 13 1 1 A 101 101 VAL H H 101 8.410 7.428 0.982 1
1 637 . 13 1 1 A 101 101 VAL HA H 101 4.210 4.803 -0.593 1
1 645 . 13 1 1 A 101 101 VAL CA C 101 62.080 59.734 2.346 1
1 646 . 13 1 1 A 101 101 VAL CB C 101 33.200 35.617 -2.417 1
1 649 . 13 1 1 A 101 101 VAL N N 101 124.550 121.355 3.195 1
1 650 . 13 1 1 A 102 102 GLN H H 102 8.510 8.591 -0.081 1
1 651 . 13 1 1 A 102 102 GLN HA H 102 4.590 4.679 -0.089 1
1 658 . 13 1 1 A 102 102 GLN CA C 102 55.090 55.857 -0.767 1
1 659 . 13 1 1 A 102 102 GLN CB C 102 28.620 30.225 -1.605 1
1 661 . 13 1 1 A 102 102 GLN N N 102 127.320 126.747 0.573 1
1 663 . 13 1 1 A 103 103 LEU H H 103 8.710 8.777 -0.067 1
1 664 . 13 1 1 A 103 103 LEU HA H 103 5.050 5.112 -0.062 1
1 674 . 13 1 1 A 103 103 LEU CA C 103 54.740 53.272 1.468 1
1 675 . 13 1 1 A 103 103 LEU CB C 103 44.820 44.502 0.318 1
1 679 . 13 1 1 A 103 103 LEU N N 103 126.610 124.738 1.872 1
1 680 . 13 1 1 A 104 104 LYS H H 104 8.690 8.791 -0.101 1
1 681 . 13 1 1 A 104 104 LYS HA H 104 5.030 5.292 -0.262 1
1 688 . 13 1 1 A 104 104 LYS CA C 104 55.480 54.715 0.765 1
1 689 . 13 1 1 A 104 104 LYS CB C 104 34.520 37.105 -2.585 1
1 693 . 13 1 1 A 104 104 LYS N N 104 124.080 121.569 2.511 1
1 694 . 13 1 1 A 105 105 VAL H H 105 9.050 8.473 0.577 1
1 695 . 13 1 1 A 105 105 VAL HA H 105 5.190 5.480 -0.290 1
1 703 . 13 1 1 A 105 105 VAL CA C 105 60.840 60.704 0.136 1
1 704 . 13 1 1 A 105 105 VAL CB C 105 35.660 34.608 1.052 1
1 707 . 13 1 1 A 105 105 VAL N N 105 123.920 122.482 1.438 1
1 708 . 13 1 1 A 106 106 ASN H H 106 9.300 10.079 -0.779 1
1 709 . 13 1 1 A 106 106 ASN HA H 106 5.220 5.316 -0.096 1
1 714 . 13 1 1 A 106 106 ASN CA C 106 51.630 51.584 0.046 1
1 715 . 13 1 1 A 106 106 ASN CB C 106 43.840 42.605 1.235 1
1 716 . 13 1 1 A 106 106 ASN N N 106 122.780 124.020 -1.240 1
1 718 . 13 1 1 A 107 107 ILE H H 107 9.050 8.570 0.480 1
1 719 . 13 1 1 A 107 107 ILE HA H 107 4.160 4.823 -0.663 1
1 729 . 13 1 1 A 107 107 ILE CA C 107 61.670 60.018 1.652 1
1 730 . 13 1 1 A 107 107 ILE CB C 107 36.140 39.916 -3.776 1
1 733 . 13 1 1 A 107 107 ILE N N 107 122.980 120.510 2.470 1
1 734 . 13 1 1 A 108 108 ALA H H 108 8.740 8.824 -0.084 1
1 735 . 13 1 1 A 108 108 ALA HA H 108 4.780 5.167 -0.387 1
1 739 . 13 1 1 A 108 108 ALA CA C 108 52.620 49.939 2.681 1
1 740 . 13 1 1 A 108 108 ALA CB C 108 19.570 23.435 -3.865 1
1 741 . 13 1 1 A 108 108 ALA N N 108 131.610 128.446 3.164 1
1 742 . 13 1 1 A 109 109 ARG HA H 109 4.390 5.169 -0.779 1
1 746 . 13 1 1 A 109 109 ARG CA C 109 56.120 54.438 1.682 1
1 747 . 13 1 1 A 109 109 ARG CB C 109 31.010 32.881 -1.871 1
1 749 . 13 1 1 A 111 111 GLN HA H 111 4.630 4.818 -0.188 1
1 754 . 13 1 1 A 111 111 GLN CA C 111 55.160 52.909 2.251 1
1 755 . 13 1 1 A 111 111 GLN CB C 111 32.900 29.347 3.553 1
1 757 . 13 1 1 A 112 112 PRO HA H 112 4.370 4.328 0.042 1
1 761 . 13 1 1 A 112 112 PRO CA C 112 64.090 64.819 -0.729 1
1 762 . 13 1 1 A 112 112 PRO CB C 112 32.650 32.090 0.560 1
1 767 . 13 1 1 A 114 114 LEU H H 114 7.710 7.815 -0.105 1
1 768 . 13 1 1 A 114 114 LEU HA H 114 4.440 4.586 -0.146 1
1 777 . 13 1 1 A 114 114 LEU CB C 114 42.640 43.401 -0.761 1
1 780 . 13 1 1 A 114 114 LEU N N 114 123.050 119.202 3.848 1
1 781 . 13 1 1 A 115 115 ASP H H 115 8.440 8.354 0.086 1
1 782 . 13 1 1 A 115 115 ASP HA H 115 4.610 4.287 0.323 1
1 785 . 13 1 1 A 115 115 ASP CA C 115 54.620 55.614 -0.994 1
1 786 . 13 1 1 A 115 115 ASP CB C 115 40.720 39.064 1.656 1
1 787 . 13 1 1 A 115 115 ASP N N 115 119.520 115.580 3.940 1
1 788 . 13 1 1 A 116 116 ALA H H 116 8.060 8.819 -0.759 1
1 789 . 13 1 1 A 116 116 ALA HA H 116 4.320 4.414 -0.094 1
1 793 . 13 1 1 A 116 116 ALA CA C 116 53.080 54.794 -1.714 1
1 794 . 13 1 1 A 116 116 ALA CB C 116 19.000 17.957 1.043 1
1 795 . 13 1 1 A 116 116 ALA N N 116 123.460 113.233 10.227 1
1 796 . 13 1 1 A 117 117 ALA H H 117 8.110 7.818 0.292 1
1 797 . 13 1 1 A 117 117 ALA HA H 117 4.640 4.520 0.120 1
1 801 . 13 1 1 A 117 117 ALA CA C 117 52.600 51.793 0.807 1
1 802 . 13 1 1 A 117 117 ALA CB C 117 19.360 22.362 -3.002 1
1 803 . 13 1 1 A 117 117 ALA N N 117 121.130 115.680 5.450 1
1 804 . 13 1 1 A 118 118 THR H H 118 8.060 8.772 -0.712 1
1 805 . 13 1 1 A 118 118 THR HA H 118 4.430 5.184 -0.754 1
1 810 . 13 1 1 A 118 118 THR CA C 118 62.130 59.724 2.406 1
1 811 . 13 1 1 A 118 118 THR CB C 118 69.840 72.547 -2.707 1
1 813 . 13 1 1 A 118 118 THR N N 118 112.100 113.393 -1.293 1
1 814 . 13 1 1 A 119 119 GLY H H 119 8.430 8.331 0.099 1
1 815 . 13 1 1 A 119 119 GLY N N 119 111.230 110.835 0.395 1
1 816 . 13 1 1 A 120 120 LYS H H 120 8.200 8.398 -0.198 1
1 817 . 13 1 1 A 120 120 LYS HA H 120 4.510 5.085 -0.575 1
1 821 . 13 1 1 A 120 120 LYS CA C 120 56.110 54.585 1.525 1
1 822 . 13 1 1 A 120 120 LYS CB C 120 33.270 35.473 -2.203 1
1 823 . 13 1 1 A 120 120 LYS N N 120 121.180 120.576 0.604 1
1 17 . 14 1 1 A 37 37 ARG H H 37 8.370 8.647 -0.277 1
1 18 . 14 1 1 A 37 37 ARG N N 37 121.030 122.494 -1.464 1
1 19 . 14 1 1 A 38 38 LYS H H 38 8.150 8.469 -0.319 1
1 20 . 14 1 1 A 38 38 LYS HA H 38 4.750 4.563 0.187 1
1 25 . 14 1 1 A 38 38 LYS CA C 38 54.190 55.914 -1.724 1
1 26 . 14 1 1 A 38 38 LYS CB C 38 35.040 33.691 1.349 1
1 27 . 14 1 1 A 38 38 LYS N N 38 119.860 124.920 -5.060 1
1 28 . 14 1 1 A 39 39 GLY H H 39 8.710 8.794 -0.084 1
1 29 . 14 1 1 A 39 39 GLY HA3 H 39 4.050 4.274 -0.224 1
1 30 . 14 1 1 A 39 39 GLY CA C 39 45.460 45.449 0.011 1
1 31 . 14 1 1 A 39 39 GLY N N 39 107.990 107.705 0.285 1
1 32 . 14 1 1 A 40 40 ASN H H 40 8.300 8.690 -0.390 1
1 33 . 14 1 1 A 40 40 ASN HA H 40 4.850 5.329 -0.479 1
1 38 . 14 1 1 A 40 40 ASN CA C 40 54.110 52.949 1.161 1
1 39 . 14 1 1 A 40 40 ASN CB C 40 37.840 42.780 -4.940 1
1 40 . 14 1 1 A 40 40 ASN N N 40 115.650 118.262 -2.612 1
1 42 . 14 1 1 A 41 41 THR HA H 41 5.400 4.875 0.525 1
1 47 . 14 1 1 A 41 41 THR CA C 41 63.410 62.964 0.446 1
1 48 . 14 1 1 A 41 41 THR CB C 41 69.930 69.986 -0.056 1
1 50 . 14 1 1 A 42 42 LEU H H 42 9.900 9.312 0.588 1
1 51 . 14 1 1 A 42 42 LEU HA H 42 5.090 5.249 -0.159 1
1 61 . 14 1 1 A 42 42 LEU CA C 42 53.260 53.602 -0.342 1
1 62 . 14 1 1 A 42 42 LEU CB C 42 43.590 44.971 -1.381 1
1 66 . 14 1 1 A 42 42 LEU N N 42 127.870 126.077 1.793 1
1 67 . 14 1 1 A 43 43 TYR H H 43 9.190 8.592 0.598 1
1 68 . 14 1 1 A 43 43 TYR HA H 43 4.420 5.097 -0.677 1
1 71 . 14 1 1 A 43 43 TYR CB C 43 40.310 41.194 -0.884 1
1 72 . 14 1 1 A 43 43 TYR N N 43 124.140 125.041 -0.901 1
1 73 . 14 1 1 A 44 44 VAL H H 44 7.980 8.283 -0.303 1
1 74 . 14 1 1 A 44 44 VAL HA H 44 4.810 5.161 -0.351 1
1 82 . 14 1 1 A 44 44 VAL CA C 44 59.320 60.899 -1.579 1
1 83 . 14 1 1 A 44 44 VAL CB C 44 34.360 34.842 -0.482 1
1 86 . 14 1 1 A 44 44 VAL N N 44 127.360 127.305 0.055 1
1 87 . 14 1 1 A 45 45 TYR H H 45 9.020 9.037 -0.017 1
1 88 . 14 1 1 A 45 45 TYR HA H 45 4.980 5.355 -0.375 1
1 94 . 14 1 1 A 45 45 TYR CA C 45 55.680 55.510 0.170 1
1 95 . 14 1 1 A 45 45 TYR CB C 45 42.210 41.338 0.872 1
1 96 . 14 1 1 A 45 45 TYR N N 45 126.390 128.253 -1.863 1
1 97 . 14 1 1 A 46 46 GLY H H 46 7.510 7.561 -0.051 1
1 98 . 14 1 1 A 46 46 GLY HA2 H 46 3.830 4.038 -0.208 1
1 99 . 14 1 1 A 46 46 GLY HA3 H 46 3.830 4.056 -0.226 1
1 100 . 14 1 1 A 46 46 GLY CA C 46 45.360 45.816 -0.456 1
1 101 . 14 1 1 A 46 46 GLY N N 46 114.220 111.854 2.366 1
1 102 . 14 1 1 A 47 47 GLU H H 47 8.750 8.621 0.129 1
1 103 . 14 1 1 A 47 47 GLU HA H 47 3.990 4.615 -0.625 1
1 108 . 14 1 1 A 47 47 GLU CA C 47 56.720 54.759 1.961 1
1 109 . 14 1 1 A 47 47 GLU CB C 47 30.460 32.956 -2.496 1
1 111 . 14 1 1 A 47 47 GLU N N 47 123.880 119.707 4.173 1
1 112 . 14 1 1 A 48 48 ASP H H 48 8.540 8.989 -0.449 1
1 113 . 14 1 1 A 48 48 ASP HA H 48 4.250 4.180 0.070 1
1 116 . 14 1 1 A 48 48 ASP CA C 48 55.210 54.818 0.392 1
1 117 . 14 1 1 A 48 48 ASP CB C 48 39.150 39.313 -0.163 1
1 118 . 14 1 1 A 48 48 ASP N N 48 117.200 123.138 -5.938 1
1 119 . 14 1 1 A 49 49 MET H H 49 8.190 7.952 0.238 1
1 120 . 14 1 1 A 49 49 MET HA H 49 4.120 4.870 -0.750 1
1 126 . 14 1 1 A 49 49 MET CA C 49 57.510 54.151 3.359 1
1 127 . 14 1 1 A 49 49 MET CB C 49 34.620 33.745 0.875 1
1 129 . 14 1 1 A 49 49 MET N N 49 114.560 117.906 -3.346 1
1 130 . 14 1 1 A 50 50 THR H H 50 6.510 8.439 -1.929 1
1 131 . 14 1 1 A 50 50 THR HA H 50 5.020 4.865 0.155 1
1 136 . 14 1 1 A 50 50 THR CA C 50 57.960 58.547 -0.587 1
1 137 . 14 1 1 A 50 50 THR CB C 50 70.150 70.334 -0.184 1
1 139 . 14 1 1 A 50 50 THR N N 50 108.060 112.673 -4.613 1
1 140 . 14 1 1 A 51 51 PRO HA H 51 4.340 4.251 0.089 1
1 146 . 14 1 1 A 51 51 PRO CA C 51 65.790 65.680 0.110 1
1 147 . 14 1 1 A 51 51 PRO CB C 51 31.780 31.771 0.009 1
1 150 . 14 1 1 A 52 52 THR H H 52 7.640 7.794 -0.154 1
1 151 . 14 1 1 A 52 52 THR HA H 52 3.980 4.017 -0.037 1
1 156 . 14 1 1 A 52 52 THR CA C 52 66.160 65.580 0.580 1
1 157 . 14 1 1 A 52 52 THR CB C 52 68.430 68.408 0.022 1
1 159 . 14 1 1 A 52 52 THR N N 52 111.520 111.689 -0.169 1
1 160 . 14 1 1 A 53 53 LEU H H 53 7.810 8.059 -0.249 1
1 161 . 14 1 1 A 53 53 LEU HA H 53 4.130 4.062 0.068 1
1 171 . 14 1 1 A 53 53 LEU CA C 53 58.360 58.325 0.035 1
1 172 . 14 1 1 A 53 53 LEU CB C 53 42.970 41.480 1.490 1
1 176 . 14 1 1 A 53 53 LEU N N 53 125.410 121.682 3.728 1
1 177 . 14 1 1 A 54 54 LEU H H 54 7.840 8.062 -0.222 1
1 178 . 14 1 1 A 54 54 LEU HA H 54 4.260 4.012 0.248 1
1 188 . 14 1 1 A 54 54 LEU CA C 54 57.580 58.350 -0.770 1
1 189 . 14 1 1 A 54 54 LEU CB C 54 42.330 41.470 0.860 1
1 193 . 14 1 1 A 54 54 LEU N N 54 117.150 118.560 -1.410 1
1 194 . 14 1 1 A 55 55 ARG H H 55 9.020 8.714 0.306 1
1 195 . 14 1 1 A 55 55 ARG HA H 55 3.880 4.100 -0.220 1
1 202 . 14 1 1 A 55 55 ARG CA C 55 60.890 59.168 1.722 1
1 203 . 14 1 1 A 55 55 ARG CB C 55 29.580 29.751 -0.171 1
1 206 . 14 1 1 A 55 55 ARG N N 55 120.050 117.460 2.590 1
1 207 . 14 1 1 A 56 56 GLY H H 56 8.180 8.238 -0.058 1
1 208 . 14 1 1 A 56 56 GLY HA2 H 56 3.940 3.906 0.034 1
1 209 . 14 1 1 A 56 56 GLY HA3 H 56 4.100 3.919 0.181 1
1 210 . 14 1 1 A 56 56 GLY CA C 56 47.210 47.071 0.139 1
1 211 . 14 1 1 A 56 56 GLY N N 56 106.700 108.125 -1.425 1
1 212 . 14 1 1 A 57 57 ALA H H 57 7.830 8.026 -0.196 1
1 213 . 14 1 1 A 57 57 ALA HA H 57 4.360 4.135 0.225 1
1 217 . 14 1 1 A 57 57 ALA CA C 57 53.590 54.430 -0.840 1
1 218 . 14 1 1 A 57 57 ALA CB C 57 19.050 18.260 0.790 1
1 219 . 14 1 1 A 57 57 ALA N N 57 120.270 124.870 -4.600 1
1 220 . 14 1 1 A 58 58 PHE H H 58 8.600 8.287 0.313 1
1 221 . 14 1 1 A 58 58 PHE HA H 58 4.790 5.679 -0.889 1
1 227 . 14 1 1 A 58 58 PHE CA C 58 60.210 57.692 2.518 1
1 228 . 14 1 1 A 58 58 PHE CB C 58 38.390 39.487 -1.097 1
1 229 . 14 1 1 A 58 58 PHE N N 58 110.250 116.473 -6.223 1
1 230 . 14 1 1 A 59 59 SER H H 59 8.610 7.966 0.644 1
1 231 . 14 1 1 A 59 59 SER HA H 59 4.810 4.439 0.371 1
1 234 . 14 1 1 A 59 59 SER CA C 59 63.540 62.725 0.815 1
1 235 . 14 1 1 A 59 59 SER CB C 59 62.910 62.594 0.316 1
1 236 . 14 1 1 A 59 59 SER N N 59 122.860 116.863 5.997 1
1 237 . 14 1 1 A 60 60 PRO HA H 60 4.280 4.302 -0.022 1
1 244 . 14 1 1 A 60 60 PRO CA C 60 65.680 65.583 0.097 1
1 245 . 14 1 1 A 60 60 PRO CB C 60 31.420 30.524 0.896 1
1 248 . 14 1 1 A 61 61 PHE H H 61 6.850 8.338 -1.488 1
1 249 . 14 1 1 A 61 61 PHE HA H 61 4.510 4.224 0.286 1
1 257 . 14 1 1 A 61 61 PHE CA C 61 58.310 60.581 -2.271 1
1 258 . 14 1 1 A 61 61 PHE CB C 61 38.920 38.867 0.053 1
1 259 . 14 1 1 A 61 61 PHE N N 61 109.700 116.394 -6.694 1
1 260 . 14 1 1 A 62 62 GLY H H 62 7.800 7.610 0.190 1
1 261 . 14 1 1 A 62 62 GLY HA2 H 62 4.090 3.943 0.147 1
1 262 . 14 1 1 A 62 62 GLY HA3 H 62 4.290 4.089 0.201 1
1 263 . 14 1 1 A 62 62 GLY CA C 62 45.290 45.858 -0.568 1
1 264 . 14 1 1 A 62 62 GLY N N 62 106.520 103.876 2.644 1
1 265 . 14 1 1 A 63 63 ASN H H 63 8.520 8.531 -0.011 1
1 266 . 14 1 1 A 63 63 ASN HA H 63 4.920 5.546 -0.626 1
1 271 . 14 1 1 A 63 63 ASN CA C 63 52.930 52.290 0.640 1
1 272 . 14 1 1 A 63 63 ASN CB C 63 38.630 40.924 -2.294 1
1 273 . 14 1 1 A 63 63 ASN N N 63 117.020 118.630 -1.610 1
1 275 . 14 1 1 A 64 64 ILE H H 64 8.750 9.088 -0.338 1
1 276 . 14 1 1 A 64 64 ILE HA H 64 4.100 4.676 -0.576 1
1 286 . 14 1 1 A 64 64 ILE CA C 64 61.940 60.630 1.310 1
1 287 . 14 1 1 A 64 64 ILE CB C 64 38.780 38.340 0.440 1
1 291 . 14 1 1 A 64 64 ILE N N 64 127.930 125.264 2.666 1
1 292 . 14 1 1 A 65 65 ILE H H 65 8.910 8.812 0.098 1
1 293 . 14 1 1 A 65 65 ILE HA H 65 4.490 4.391 0.099 1
1 303 . 14 1 1 A 65 65 ILE CA C 65 61.310 61.519 -0.209 1
1 304 . 14 1 1 A 65 65 ILE CB C 65 38.470 38.869 -0.399 1
1 308 . 14 1 1 A 65 65 ILE N N 65 124.530 122.548 1.982 1
1 309 . 14 1 1 A 66 66 ASP H H 66 7.520 7.831 -0.311 1
1 310 . 14 1 1 A 66 66 ASP HA H 66 4.700 4.978 -0.278 1
1 313 . 14 1 1 A 66 66 ASP CA C 66 55.520 54.048 1.472 1
1 314 . 14 1 1 A 66 66 ASP CB C 66 45.290 42.844 2.446 1
1 315 . 14 1 1 A 66 66 ASP N N 66 119.140 121.253 -2.113 1
1 316 . 14 1 1 A 67 67 LEU H H 67 8.230 8.670 -0.440 1
1 317 . 14 1 1 A 67 67 LEU HA H 67 4.980 4.876 0.104 1
1 326 . 14 1 1 A 67 67 LEU CA C 67 54.980 53.808 1.172 1
1 327 . 14 1 1 A 67 67 LEU CB C 67 44.440 43.980 0.460 1
1 330 . 14 1 1 A 67 67 LEU N N 67 127.890 128.639 -0.749 1
1 331 . 14 1 1 A 68 68 SER H H 68 8.810 9.342 -0.532 1
1 332 . 14 1 1 A 68 68 SER HA H 68 4.970 5.461 -0.491 1
1 335 . 14 1 1 A 68 68 SER CA C 68 57.170 57.155 0.015 1
1 336 . 14 1 1 A 68 68 SER CB C 68 65.320 65.975 -0.655 1
1 337 . 14 1 1 A 68 68 SER N N 68 122.560 124.383 -1.823 1
1 338 . 14 1 1 A 69 69 MET H H 69 9.050 8.912 0.138 1
1 339 . 14 1 1 A 69 69 MET HA H 69 4.740 5.118 -0.378 1
1 345 . 14 1 1 A 69 69 MET CA C 69 54.520 54.130 0.390 1
1 348 . 14 1 1 A 69 69 MET N N 69 122.420 123.136 -0.716 1
1 349 . 14 1 1 A 70 70 ASP H H 70 8.620 8.976 -0.356 1
1 350 . 14 1 1 A 70 70 ASP HA H 70 5.140 5.285 -0.145 1
1 353 . 14 1 1 A 70 70 ASP CA C 70 51.410 50.714 0.696 1
1 354 . 14 1 1 A 70 70 ASP CB C 70 40.930 42.302 -1.372 1
1 355 . 14 1 1 A 70 70 ASP N N 70 120.620 122.625 -2.005 1
1 356 . 14 1 1 A 71 71 PRO HA H 71 4.760 4.393 0.367 1
1 359 . 14 1 1 A 71 71 PRO CA C 71 66.380 64.383 1.997 1
1 361 . 14 1 1 A 72 72 PRO HA H 72 4.520 4.365 0.155 1
1 368 . 14 1 1 A 72 72 PRO CA C 72 65.750 65.137 0.613 1
1 369 . 14 1 1 A 72 72 PRO CB C 72 31.570 31.461 0.109 1
1 371 . 14 1 1 A 73 73 ARG H H 73 7.360 7.546 -0.186 1
1 372 . 14 1 1 A 73 73 ARG HA H 73 4.570 4.517 0.053 1
1 378 . 14 1 1 A 73 73 ARG CA C 73 55.160 55.254 -0.094 1
1 379 . 14 1 1 A 73 73 ARG CB C 73 29.000 30.482 -1.482 1
1 382 . 14 1 1 A 73 73 ARG N N 73 114.560 116.405 -1.845 1
1 383 . 14 1 1 A 74 74 ASN H H 74 8.440 7.960 0.480 1
1 384 . 14 1 1 A 74 74 ASN HA H 74 4.270 4.147 0.123 1
1 389 . 14 1 1 A 74 74 ASN CA C 74 53.830 54.538 -0.708 1
1 390 . 14 1 1 A 74 74 ASN CB C 74 37.500 36.512 0.988 1
1 391 . 14 1 1 A 74 74 ASN N N 74 115.460 114.727 0.733 1
1 393 . 14 1 1 A 75 75 CYS H H 75 7.270 7.486 -0.216 1
1 394 . 14 1 1 A 75 75 CYS HA H 75 5.730 5.258 0.472 1
1 396 . 14 1 1 A 75 75 CYS CA C 75 55.420 56.883 -1.463 1
1 397 . 14 1 1 A 75 75 CYS CB C 75 32.640 30.669 1.971 1
1 398 . 14 1 1 A 75 75 CYS N N 75 127.180 113.389 13.791 1
1 399 . 14 1 1 A 76 76 ALA H H 76 8.590 8.690 -0.100 1
1 403 . 14 1 1 A 76 76 ALA CB C 76 24.400 22.550 1.850 1
1 404 . 14 1 1 A 76 76 ALA N N 76 122.120 123.982 -1.862 1
1 405 . 14 1 1 A 77 77 PHE H H 77 8.780 9.499 -0.719 1
1 406 . 14 1 1 A 77 77 PHE HA H 77 5.620 5.270 0.350 1
1 407 . 14 1 1 A 77 77 PHE CA C 77 55.850 56.719 -0.869 1
1 408 . 14 1 1 A 77 77 PHE N N 77 115.390 117.819 -2.429 1
1 409 . 14 1 1 A 78 78 VAL H H 78 8.580 8.654 -0.074 1
1 410 . 14 1 1 A 78 78 VAL HA H 78 4.300 4.781 -0.481 1
1 418 . 14 1 1 A 78 78 VAL CA C 78 60.960 59.304 1.656 1
1 419 . 14 1 1 A 78 78 VAL CB C 78 34.360 33.756 0.604 1
1 422 . 14 1 1 A 78 78 VAL N N 78 126.440 124.042 2.398 1
1 423 . 14 1 1 A 79 79 THR H H 79 8.960 8.806 0.154 1
1 424 . 14 1 1 A 79 79 THR HA H 79 5.330 5.400 -0.070 1
1 429 . 14 1 1 A 79 79 THR CA C 79 61.940 61.777 0.163 1
1 430 . 14 1 1 A 79 79 THR CB C 79 69.910 70.396 -0.486 1
1 432 . 14 1 1 A 79 79 THR N N 79 123.990 122.655 1.335 1
1 433 . 14 1 1 A 80 80 TYR H H 80 8.880 9.787 -0.907 1
1 434 . 14 1 1 A 80 80 TYR HA H 80 5.400 4.920 0.480 1
1 437 . 14 1 1 A 80 80 TYR CA C 80 57.660 57.910 -0.250 1
1 438 . 14 1 1 A 80 80 TYR CB C 80 42.220 40.127 2.093 1
1 439 . 14 1 1 A 80 80 TYR N N 80 126.670 125.854 0.816 1
1 440 . 14 1 1 A 81 81 GLU H H 81 8.490 8.955 -0.465 1
1 441 . 14 1 1 A 81 81 GLU HA H 81 4.110 4.344 -0.234 1
1 446 . 14 1 1 A 81 81 GLU CA C 81 59.290 58.062 1.228 1
1 447 . 14 1 1 A 81 81 GLU CB C 81 31.210 31.267 -0.057 1
1 449 . 14 1 1 A 81 81 GLU N N 81 119.690 121.662 -1.972 1
1 450 . 14 1 1 A 82 82 LYS H H 82 8.460 7.565 0.895 1
1 451 . 14 1 1 A 82 82 LYS HA H 82 5.020 4.843 0.177 1
1 457 . 14 1 1 A 82 82 LYS CA C 82 54.140 55.002 -0.862 1
1 458 . 14 1 1 A 82 82 LYS CB C 82 34.420 36.643 -2.223 1
1 462 . 14 1 1 A 82 82 LYS N N 82 113.920 117.643 -3.723 1
1 463 . 14 1 1 A 83 83 MET H H 83 9.100 9.000 0.100 1
1 464 . 14 1 1 A 83 83 MET HA H 83 4.070 4.352 -0.282 1
1 468 . 14 1 1 A 83 83 MET CA C 83 59.570 57.410 2.160 1
1 469 . 14 1 1 A 83 83 MET CB C 83 32.420 31.935 0.485 1
1 471 . 14 1 1 A 83 83 MET N N 83 122.530 121.472 1.058 1
1 472 . 14 1 1 A 84 84 GLU H H 84 9.690 7.864 1.826 1
1 473 . 14 1 1 A 84 84 GLU HA H 84 4.240 4.024 0.216 1
1 477 . 14 1 1 A 84 84 GLU CA C 84 60.040 59.248 0.792 1
1 478 . 14 1 1 A 84 84 GLU CB C 84 28.640 29.460 -0.820 1
1 480 . 14 1 1 A 84 84 GLU N N 84 117.940 119.796 -1.856 1
1 481 . 14 1 1 A 85 85 SER H H 85 7.110 7.794 -0.684 1
1 482 . 14 1 1 A 85 85 SER HA H 85 4.130 3.924 0.206 1
1 485 . 14 1 1 A 85 85 SER CA C 85 61.840 61.370 0.470 1
1 486 . 14 1 1 A 85 85 SER CB C 85 62.400 62.431 -0.031 1
1 487 . 14 1 1 A 85 85 SER N N 85 115.500 116.079 -0.579 1
1 488 . 14 1 1 A 86 86 ALA H H 86 6.860 7.400 -0.540 1
1 489 . 14 1 1 A 86 86 ALA HA H 86 4.080 4.355 -0.275 1
1 493 . 14 1 1 A 86 86 ALA CA C 86 55.210 55.296 -0.086 1
1 494 . 14 1 1 A 86 86 ALA CB C 86 18.070 18.649 -0.579 1
1 495 . 14 1 1 A 86 86 ALA N N 86 122.760 123.252 -0.492 1
1 496 . 14 1 1 A 87 87 ASP H H 87 7.680 7.917 -0.237 1
1 497 . 14 1 1 A 87 87 ASP HA H 87 4.390 4.364 0.026 1
1 500 . 14 1 1 A 87 87 ASP CA C 87 57.470 57.531 -0.061 1
1 501 . 14 1 1 A 87 87 ASP CB C 87 40.850 41.370 -0.520 1
1 502 . 14 1 1 A 87 87 ASP N N 87 115.980 118.357 -2.377 1
1 503 . 14 1 1 A 88 88 GLN H H 88 7.670 7.966 -0.296 1
1 504 . 14 1 1 A 88 88 GLN HA H 88 4.040 4.061 -0.021 1
1 511 . 14 1 1 A 88 88 GLN CA C 88 58.500 58.783 -0.283 1
1 512 . 14 1 1 A 88 88 GLN CB C 88 28.270 28.775 -0.505 1
1 514 . 14 1 1 A 88 88 GLN N N 88 119.920 119.177 0.743 1
1 516 . 14 1 1 A 89 89 ALA H H 89 7.950 7.738 0.212 1
1 517 . 14 1 1 A 89 89 ALA HA H 89 2.800 2.144 0.656 1
1 521 . 14 1 1 A 89 89 ALA CA C 89 54.930 54.229 0.701 1
1 522 . 14 1 1 A 89 89 ALA CB C 89 19.340 17.777 1.563 1
1 523 . 14 1 1 A 89 89 ALA N N 89 121.330 121.680 -0.350 1
1 524 . 14 1 1 A 90 90 VAL H H 90 8.030 8.526 -0.496 1
1 525 . 14 1 1 A 90 90 VAL HA H 90 3.370 3.565 -0.195 1
1 533 . 14 1 1 A 90 90 VAL CA C 90 67.090 66.371 0.719 1
1 534 . 14 1 1 A 90 90 VAL CB C 90 32.180 31.445 0.735 1
1 537 . 14 1 1 A 90 90 VAL N N 90 116.630 118.442 -1.812 1
1 538 . 14 1 1 A 91 91 ALA H H 91 7.350 7.647 -0.297 1
1 539 . 14 1 1 A 91 91 ALA HA H 91 4.130 4.054 0.076 1
1 543 . 14 1 1 A 91 91 ALA CA C 91 54.810 55.383 -0.573 1
1 544 . 14 1 1 A 91 91 ALA CB C 91 18.330 18.668 -0.338 1
1 545 . 14 1 1 A 91 91 ALA N N 91 119.620 121.878 -2.258 1
1 546 . 14 1 1 A 92 92 GLU H H 92 7.960 7.981 -0.021 1
1 547 . 14 1 1 A 92 92 GLU HA H 92 4.360 4.010 0.350 1
1 552 . 14 1 1 A 92 92 GLU CA C 92 57.930 59.683 -1.753 1
1 553 . 14 1 1 A 92 92 GLU CB C 92 30.980 30.292 0.688 1
1 555 . 14 1 1 A 92 92 GLU N N 92 113.770 117.962 -4.192 1
1 556 . 14 1 1 A 93 93 LEU H H 93 8.310 8.181 0.129 1
1 557 . 14 1 1 A 93 93 LEU HA H 93 4.620 4.021 0.599 1
1 567 . 14 1 1 A 93 93 LEU CA C 93 55.810 57.316 -1.506 1
1 568 . 14 1 1 A 93 93 LEU CB C 93 44.130 41.386 2.744 1
1 572 . 14 1 1 A 93 93 LEU N N 93 114.550 119.968 -5.418 1
1 573 . 14 1 1 A 94 94 ASN H H 94 7.910 7.731 0.179 1
1 574 . 14 1 1 A 94 94 ASN HA H 94 4.430 4.359 0.071 1
1 577 . 14 1 1 A 94 94 ASN CA C 94 56.690 54.850 1.840 1
1 578 . 14 1 1 A 94 94 ASN N N 94 116.840 117.648 -0.808 1
1 580 . 14 1 1 A 95 95 GLY H H 95 8.890 8.841 0.049 1
1 581 . 14 1 1 A 95 95 GLY HA2 H 95 3.960 3.939 0.021 1
1 582 . 14 1 1 A 95 95 GLY HA3 H 95 4.290 3.943 0.347 1
1 583 . 14 1 1 A 95 95 GLY CA C 95 46.090 45.853 0.237 1
1 584 . 14 1 1 A 95 95 GLY N N 95 116.350 113.888 2.462 1
1 585 . 14 1 1 A 96 96 THR H H 96 7.860 7.684 0.176 1
1 586 . 14 1 1 A 96 96 THR HA H 96 4.660 4.999 -0.339 1
1 591 . 14 1 1 A 96 96 THR CA C 96 60.880 59.287 1.593 1
1 592 . 14 1 1 A 96 96 THR CB C 96 71.090 72.305 -1.215 1
1 594 . 14 1 1 A 96 96 THR N N 96 113.920 110.894 3.026 1
1 595 . 14 1 1 A 97 97 GLN H H 97 8.360 8.785 -0.425 1
1 596 . 14 1 1 A 97 97 GLN HA H 97 5.210 5.078 0.132 1
1 602 . 14 1 1 A 97 97 GLN CA C 97 54.170 53.957 0.213 1
1 603 . 14 1 1 A 97 97 GLN CB C 97 30.470 32.563 -2.093 1
1 605 . 14 1 1 A 97 97 GLN N N 97 119.550 121.397 -1.847 1
1 607 . 14 1 1 A 98 98 VAL H H 98 8.900 9.700 -0.800 1
1 608 . 14 1 1 A 98 98 VAL HA H 98 4.200 4.466 -0.266 1
1 616 . 14 1 1 A 98 98 VAL CA C 98 61.350 60.848 0.502 1
1 617 . 14 1 1 A 98 98 VAL CB C 98 33.600 32.869 0.731 1
1 620 . 14 1 1 A 98 98 VAL N N 98 127.260 124.793 2.467 1
1 621 . 14 1 1 A 99 99 GLU H H 99 9.160 8.585 0.575 1
1 622 . 14 1 1 A 99 99 GLU HA H 99 3.820 4.072 -0.252 1
1 625 . 14 1 1 A 99 99 GLU CA C 99 57.950 59.335 -1.385 1
1 626 . 14 1 1 A 99 99 GLU CB C 99 27.110 29.971 -2.861 1
1 628 . 14 1 1 A 99 99 GLU N N 99 124.200 123.318 0.882 1
1 629 . 14 1 1 A 100 100 SER H H 100 8.330 7.897 0.433 1
1 630 . 14 1 1 A 100 100 SER HA H 100 4.280 4.623 -0.343 1
1 633 . 14 1 1 A 100 100 SER CA C 100 59.780 57.533 2.247 1
1 634 . 14 1 1 A 100 100 SER CB C 100 63.300 64.255 -0.955 1
1 635 . 14 1 1 A 100 100 SER N N 100 111.660 113.749 -2.089 1
1 636 . 14 1 1 A 101 101 VAL H H 101 8.410 7.573 0.837 1
1 637 . 14 1 1 A 101 101 VAL HA H 101 4.210 4.882 -0.672 1
1 645 . 14 1 1 A 101 101 VAL CA C 101 62.080 60.084 1.996 1
1 646 . 14 1 1 A 101 101 VAL CB C 101 33.200 36.602 -3.402 1
1 649 . 14 1 1 A 101 101 VAL N N 101 124.550 120.948 3.602 1
1 650 . 14 1 1 A 102 102 GLN H H 102 8.510 8.945 -0.435 1
1 651 . 14 1 1 A 102 102 GLN HA H 102 4.590 5.081 -0.491 1
1 658 . 14 1 1 A 102 102 GLN CA C 102 55.090 54.240 0.850 1
1 659 . 14 1 1 A 102 102 GLN CB C 102 28.620 31.881 -3.261 1
1 661 . 14 1 1 A 102 102 GLN N N 102 127.320 124.786 2.534 1
1 663 . 14 1 1 A 103 103 LEU H H 103 8.710 8.764 -0.054 1
1 664 . 14 1 1 A 103 103 LEU HA H 103 5.050 5.255 -0.205 1
1 674 . 14 1 1 A 103 103 LEU CA C 103 54.740 53.264 1.476 1
1 675 . 14 1 1 A 103 103 LEU CB C 103 44.820 45.193 -0.373 1
1 679 . 14 1 1 A 103 103 LEU N N 103 126.610 124.030 2.580 1
1 680 . 14 1 1 A 104 104 LYS H H 104 8.690 8.731 -0.041 1
1 681 . 14 1 1 A 104 104 LYS HA H 104 5.030 5.216 -0.186 1
1 688 . 14 1 1 A 104 104 LYS CA C 104 55.480 54.862 0.618 1
1 689 . 14 1 1 A 104 104 LYS CB C 104 34.520 35.650 -1.130 1
1 693 . 14 1 1 A 104 104 LYS N N 104 124.080 121.508 2.572 1
1 694 . 14 1 1 A 105 105 VAL H H 105 9.050 8.869 0.181 1
1 695 . 14 1 1 A 105 105 VAL HA H 105 5.190 5.293 -0.103 1
1 703 . 14 1 1 A 105 105 VAL CA C 105 60.840 60.746 0.094 1
1 704 . 14 1 1 A 105 105 VAL CB C 105 35.660 34.242 1.418 1
1 707 . 14 1 1 A 105 105 VAL N N 105 123.920 123.796 0.124 1
1 708 . 14 1 1 A 106 106 ASN H H 106 9.300 9.481 -0.181 1
1 709 . 14 1 1 A 106 106 ASN HA H 106 5.220 5.406 -0.186 1
1 714 . 14 1 1 A 106 106 ASN CA C 106 51.630 51.574 0.056 1
1 715 . 14 1 1 A 106 106 ASN CB C 106 43.840 43.145 0.695 1
1 716 . 14 1 1 A 106 106 ASN N N 106 122.780 124.013 -1.233 1
1 718 . 14 1 1 A 107 107 ILE H H 107 9.050 8.725 0.325 1
1 719 . 14 1 1 A 107 107 ILE HA H 107 4.160 4.903 -0.743 1
1 729 . 14 1 1 A 107 107 ILE CA C 107 61.670 60.351 1.319 1
1 730 . 14 1 1 A 107 107 ILE CB C 107 36.140 39.333 -3.193 1
1 733 . 14 1 1 A 107 107 ILE N N 107 122.980 120.757 2.223 1
1 734 . 14 1 1 A 108 108 ALA H H 108 8.740 8.872 -0.132 1
1 735 . 14 1 1 A 108 108 ALA HA H 108 4.780 4.851 -0.071 1
1 739 . 14 1 1 A 108 108 ALA CA C 108 52.620 50.435 2.185 1
1 740 . 14 1 1 A 108 108 ALA CB C 108 19.570 22.200 -2.630 1
1 741 . 14 1 1 A 108 108 ALA N N 108 131.610 130.998 0.612 1
1 742 . 14 1 1 A 109 109 ARG HA H 109 4.390 4.275 0.115 1
1 746 . 14 1 1 A 109 109 ARG CA C 109 56.120 57.683 -1.563 1
1 747 . 14 1 1 A 109 109 ARG CB C 109 31.010 30.871 0.139 1
1 749 . 14 1 1 A 111 111 GLN HA H 111 4.630 4.490 0.140 1
1 754 . 14 1 1 A 111 111 GLN CA C 111 55.160 54.761 0.399 1
1 755 . 14 1 1 A 111 111 GLN CB C 111 32.900 28.697 4.203 1
1 757 . 14 1 1 A 112 112 PRO HA H 112 4.370 4.505 -0.135 1
1 761 . 14 1 1 A 112 112 PRO CA C 112 64.090 64.329 -0.239 1
1 762 . 14 1 1 A 112 112 PRO CB C 112 32.650 31.989 0.661 1
1 767 . 14 1 1 A 114 114 LEU H H 114 7.710 7.368 0.342 1
1 768 . 14 1 1 A 114 114 LEU HA H 114 4.440 4.543 -0.103 1
1 777 . 14 1 1 A 114 114 LEU CB C 114 42.640 42.997 -0.357 1
1 780 . 14 1 1 A 114 114 LEU N N 114 123.050 119.863 3.187 1
1 781 . 14 1 1 A 115 115 ASP H H 115 8.440 8.368 0.072 1
1 782 . 14 1 1 A 115 115 ASP HA H 115 4.610 4.452 0.158 1
1 785 . 14 1 1 A 115 115 ASP CA C 115 54.620 55.591 -0.971 1
1 786 . 14 1 1 A 115 115 ASP CB C 115 40.720 39.054 1.666 1
1 787 . 14 1 1 A 115 115 ASP N N 115 119.520 114.725 4.795 1
1 788 . 14 1 1 A 116 116 ALA H H 116 8.060 8.059 0.001 1
1 789 . 14 1 1 A 116 116 ALA HA H 116 4.320 3.921 0.399 1
1 793 . 14 1 1 A 116 116 ALA CA C 116 53.080 54.824 -1.744 1
1 794 . 14 1 1 A 116 116 ALA CB C 116 19.000 17.979 1.021 1
1 795 . 14 1 1 A 116 116 ALA N N 116 123.460 113.274 10.186 1
1 796 . 14 1 1 A 117 117 ALA H H 117 8.110 7.748 0.362 1
1 797 . 14 1 1 A 117 117 ALA HA H 117 4.640 4.651 -0.011 1
1 801 . 14 1 1 A 117 117 ALA CA C 117 52.600 51.853 0.747 1
1 802 . 14 1 1 A 117 117 ALA CB C 117 19.360 22.732 -3.372 1
1 803 . 14 1 1 A 117 117 ALA N N 117 121.130 116.164 4.966 1
1 804 . 14 1 1 A 118 118 THR H H 118 8.060 8.554 -0.494 1
1 805 . 14 1 1 A 118 118 THR HA H 118 4.430 4.834 -0.404 1
1 810 . 14 1 1 A 118 118 THR CA C 118 62.130 59.790 2.340 1
1 811 . 14 1 1 A 118 118 THR CB C 118 69.840 71.866 -2.026 1
1 813 . 14 1 1 A 118 118 THR N N 118 112.100 110.830 1.270 1
1 814 . 14 1 1 A 119 119 GLY H H 119 8.430 8.542 -0.112 1
1 815 . 14 1 1 A 119 119 GLY N N 119 111.230 112.234 -1.004 1
1 816 . 14 1 1 A 120 120 LYS H H 120 8.200 7.993 0.207 1
1 817 . 14 1 1 A 120 120 LYS HA H 120 4.510 4.317 0.193 1
1 821 . 14 1 1 A 120 120 LYS CA C 120 56.110 56.353 -0.243 1
1 822 . 14 1 1 A 120 120 LYS CB C 120 33.270 33.313 -0.043 1
1 823 . 14 1 1 A 120 120 LYS N N 120 121.180 122.951 -1.771 1
1 17 . 15 1 1 A 37 37 ARG H H 37 8.370 8.902 -0.532 1
1 18 . 15 1 1 A 37 37 ARG N N 37 121.030 119.576 1.454 1
1 19 . 15 1 1 A 38 38 LYS H H 38 8.150 7.649 0.501 1
1 20 . 15 1 1 A 38 38 LYS HA H 38 4.750 4.437 0.313 1
1 25 . 15 1 1 A 38 38 LYS CA C 38 54.190 56.083 -1.893 1
1 26 . 15 1 1 A 38 38 LYS CB C 38 35.040 33.705 1.335 1
1 27 . 15 1 1 A 38 38 LYS N N 38 119.860 119.526 0.334 1
1 28 . 15 1 1 A 39 39 GLY H H 39 8.710 8.915 -0.205 1
1 29 . 15 1 1 A 39 39 GLY HA3 H 39 4.050 4.211 -0.161 1
1 30 . 15 1 1 A 39 39 GLY CA C 39 45.460 45.453 0.007 1
1 31 . 15 1 1 A 39 39 GLY N N 39 107.990 108.748 -0.758 1
1 32 . 15 1 1 A 40 40 ASN H H 40 8.300 9.976 -1.676 1
1 33 . 15 1 1 A 40 40 ASN HA H 40 4.850 5.066 -0.216 1
1 38 . 15 1 1 A 40 40 ASN CA C 40 54.110 52.010 2.100 1
1 39 . 15 1 1 A 40 40 ASN CB C 40 37.840 39.354 -1.514 1
1 40 . 15 1 1 A 40 40 ASN N N 40 115.650 123.168 -7.518 1
1 42 . 15 1 1 A 41 41 THR HA H 41 5.400 4.776 0.624 1
1 47 . 15 1 1 A 41 41 THR CA C 41 63.410 63.797 -0.387 1
1 48 . 15 1 1 A 41 41 THR CB C 41 69.930 68.894 1.036 1
1 50 . 15 1 1 A 42 42 LEU H H 42 9.900 9.534 0.366 1
1 51 . 15 1 1 A 42 42 LEU HA H 42 5.090 5.185 -0.095 1
1 61 . 15 1 1 A 42 42 LEU CA C 42 53.260 53.817 -0.557 1
1 62 . 15 1 1 A 42 42 LEU CB C 42 43.590 44.543 -0.953 1
1 66 . 15 1 1 A 42 42 LEU N N 42 127.870 127.571 0.299 1
1 67 . 15 1 1 A 43 43 TYR H H 43 9.190 9.120 0.070 1
1 68 . 15 1 1 A 43 43 TYR HA H 43 4.420 4.801 -0.381 1
1 71 . 15 1 1 A 43 43 TYR CB C 43 40.310 40.065 0.245 1
1 72 . 15 1 1 A 43 43 TYR N N 43 124.140 125.078 -0.938 1
1 73 . 15 1 1 A 44 44 VAL H H 44 7.980 8.595 -0.615 1
1 74 . 15 1 1 A 44 44 VAL HA H 44 4.810 5.243 -0.433 1
1 82 . 15 1 1 A 44 44 VAL CA C 44 59.320 61.105 -1.785 1
1 83 . 15 1 1 A 44 44 VAL CB C 44 34.360 33.674 0.686 1
1 86 . 15 1 1 A 44 44 VAL N N 44 127.360 127.575 -0.215 1
1 87 . 15 1 1 A 45 45 TYR H H 45 9.020 9.026 -0.006 1
1 88 . 15 1 1 A 45 45 TYR HA H 45 4.980 5.291 -0.311 1
1 94 . 15 1 1 A 45 45 TYR CA C 45 55.680 55.510 0.170 1
1 95 . 15 1 1 A 45 45 TYR CB C 45 42.210 41.424 0.786 1
1 96 . 15 1 1 A 45 45 TYR N N 45 126.390 128.339 -1.949 1
1 97 . 15 1 1 A 46 46 GLY H H 46 7.510 7.424 0.086 1
1 98 . 15 1 1 A 46 46 GLY HA2 H 46 3.830 4.032 -0.202 1
1 99 . 15 1 1 A 46 46 GLY HA3 H 46 3.830 4.047 -0.217 1
1 100 . 15 1 1 A 46 46 GLY CA C 46 45.360 45.929 -0.569 1
1 101 . 15 1 1 A 46 46 GLY N N 46 114.220 111.743 2.477 1
1 102 . 15 1 1 A 47 47 GLU H H 47 8.750 8.614 0.136 1
1 103 . 15 1 1 A 47 47 GLU HA H 47 3.990 4.669 -0.679 1
1 108 . 15 1 1 A 47 47 GLU CA C 47 56.720 54.428 2.292 1
1 109 . 15 1 1 A 47 47 GLU CB C 47 30.460 33.105 -2.645 1
1 111 . 15 1 1 A 47 47 GLU N N 47 123.880 119.934 3.946 1
1 112 . 15 1 1 A 48 48 ASP H H 48 8.540 8.952 -0.412 1
1 113 . 15 1 1 A 48 48 ASP HA H 48 4.250 4.179 0.071 1
1 116 . 15 1 1 A 48 48 ASP CA C 48 55.210 54.825 0.385 1
1 117 . 15 1 1 A 48 48 ASP CB C 48 39.150 39.459 -0.309 1
1 118 . 15 1 1 A 48 48 ASP N N 48 117.200 122.122 -4.922 1
1 119 . 15 1 1 A 49 49 MET H H 49 8.190 7.939 0.251 1
1 120 . 15 1 1 A 49 49 MET HA H 49 4.120 4.827 -0.707 1
1 126 . 15 1 1 A 49 49 MET CA C 49 57.510 54.347 3.163 1
1 127 . 15 1 1 A 49 49 MET CB C 49 34.620 34.065 0.555 1
1 129 . 15 1 1 A 49 49 MET N N 49 114.560 117.944 -3.384 1
1 130 . 15 1 1 A 50 50 THR H H 50 6.510 8.636 -2.126 1
1 131 . 15 1 1 A 50 50 THR HA H 50 5.020 4.903 0.117 1
1 136 . 15 1 1 A 50 50 THR CA C 50 57.960 58.483 -0.523 1
1 137 . 15 1 1 A 50 50 THR CB C 50 70.150 69.841 0.309 1
1 139 . 15 1 1 A 50 50 THR N N 50 108.060 114.173 -6.113 1
1 140 . 15 1 1 A 51 51 PRO HA H 51 4.340 4.270 0.070 1
1 146 . 15 1 1 A 51 51 PRO CA C 51 65.790 65.755 0.035 1
1 147 . 15 1 1 A 51 51 PRO CB C 51 31.780 31.758 0.022 1
1 150 . 15 1 1 A 52 52 THR H H 52 7.640 7.806 -0.166 1
1 151 . 15 1 1 A 52 52 THR HA H 52 3.980 4.028 -0.048 1
1 156 . 15 1 1 A 52 52 THR CA C 52 66.160 65.584 0.576 1
1 157 . 15 1 1 A 52 52 THR CB C 52 68.430 68.554 -0.124 1
1 159 . 15 1 1 A 52 52 THR N N 52 111.520 111.729 -0.209 1
1 160 . 15 1 1 A 53 53 LEU H H 53 7.810 8.114 -0.304 1
1 161 . 15 1 1 A 53 53 LEU HA H 53 4.130 4.036 0.094 1
1 171 . 15 1 1 A 53 53 LEU CA C 53 58.360 58.479 -0.119 1
1 172 . 15 1 1 A 53 53 LEU CB C 53 42.970 41.788 1.182 1
1 176 . 15 1 1 A 53 53 LEU N N 53 125.410 121.631 3.779 1
1 177 . 15 1 1 A 54 54 LEU H H 54 7.840 8.305 -0.465 1
1 178 . 15 1 1 A 54 54 LEU HA H 54 4.260 3.989 0.271 1
1 188 . 15 1 1 A 54 54 LEU CA C 54 57.580 58.189 -0.609 1
1 189 . 15 1 1 A 54 54 LEU CB C 54 42.330 41.513 0.817 1
1 193 . 15 1 1 A 54 54 LEU N N 54 117.150 119.233 -2.083 1
1 194 . 15 1 1 A 55 55 ARG H H 55 9.020 8.656 0.364 1
1 195 . 15 1 1 A 55 55 ARG HA H 55 3.880 4.030 -0.150 1
1 202 . 15 1 1 A 55 55 ARG CA C 55 60.890 59.880 1.010 1
1 203 . 15 1 1 A 55 55 ARG CB C 55 29.580 29.933 -0.353 1
1 206 . 15 1 1 A 55 55 ARG N N 55 120.050 119.412 0.638 1
1 207 . 15 1 1 A 56 56 GLY H H 56 8.180 8.339 -0.159 1
1 208 . 15 1 1 A 56 56 GLY HA2 H 56 3.940 3.898 0.042 1
1 209 . 15 1 1 A 56 56 GLY HA3 H 56 4.100 3.919 0.181 1
1 210 . 15 1 1 A 56 56 GLY CA C 56 47.210 46.947 0.263 1
1 211 . 15 1 1 A 56 56 GLY N N 56 106.700 107.067 -0.367 1
1 212 . 15 1 1 A 57 57 ALA H H 57 7.830 7.948 -0.118 1
1 213 . 15 1 1 A 57 57 ALA HA H 57 4.360 4.112 0.248 1
1 217 . 15 1 1 A 57 57 ALA CA C 57 53.590 53.947 -0.357 1
1 218 . 15 1 1 A 57 57 ALA CB C 57 19.050 18.311 0.739 1
1 219 . 15 1 1 A 57 57 ALA N N 57 120.270 124.270 -4.000 1
1 220 . 15 1 1 A 58 58 PHE H H 58 8.600 7.884 0.716 1
1 221 . 15 1 1 A 58 58 PHE HA H 58 4.790 5.605 -0.815 1
1 227 . 15 1 1 A 58 58 PHE CA C 58 60.210 57.792 2.418 1
1 228 . 15 1 1 A 58 58 PHE CB C 58 38.390 40.062 -1.672 1
1 229 . 15 1 1 A 58 58 PHE N N 58 110.250 117.020 -6.770 1
1 230 . 15 1 1 A 59 59 SER H H 59 8.610 8.074 0.536 1
1 231 . 15 1 1 A 59 59 SER HA H 59 4.810 4.400 0.410 1
1 234 . 15 1 1 A 59 59 SER CA C 59 63.540 63.165 0.375 1
1 235 . 15 1 1 A 59 59 SER CB C 59 62.910 62.803 0.107 1
1 236 . 15 1 1 A 59 59 SER N N 59 122.860 116.351 6.509 1
1 237 . 15 1 1 A 60 60 PRO HA H 60 4.280 4.327 -0.047 1
1 244 . 15 1 1 A 60 60 PRO CA C 60 65.680 65.642 0.038 1
1 245 . 15 1 1 A 60 60 PRO CB C 60 31.420 30.571 0.849 1
1 248 . 15 1 1 A 61 61 PHE H H 61 6.850 8.692 -1.842 1
1 249 . 15 1 1 A 61 61 PHE HA H 61 4.510 4.219 0.291 1
1 257 . 15 1 1 A 61 61 PHE CA C 61 58.310 61.075 -2.765 1
1 258 . 15 1 1 A 61 61 PHE CB C 61 38.920 38.715 0.205 1
1 259 . 15 1 1 A 61 61 PHE N N 61 109.700 116.863 -7.163 1
1 260 . 15 1 1 A 62 62 GLY H H 62 7.800 7.170 0.630 1
1 261 . 15 1 1 A 62 62 GLY HA2 H 62 4.090 3.941 0.149 1
1 262 . 15 1 1 A 62 62 GLY HA3 H 62 4.290 4.086 0.204 1
1 263 . 15 1 1 A 62 62 GLY CA C 62 45.290 45.696 -0.406 1
1 264 . 15 1 1 A 62 62 GLY N N 62 106.520 103.775 2.745 1
1 265 . 15 1 1 A 63 63 ASN H H 63 8.520 8.609 -0.089 1
1 266 . 15 1 1 A 63 63 ASN HA H 63 4.920 5.225 -0.305 1
1 271 . 15 1 1 A 63 63 ASN CA C 63 52.930 53.042 -0.112 1
1 272 . 15 1 1 A 63 63 ASN CB C 63 38.630 40.176 -1.546 1
1 273 . 15 1 1 A 63 63 ASN N N 63 117.020 118.489 -1.469 1
1 275 . 15 1 1 A 64 64 ILE H H 64 8.750 8.994 -0.244 1
1 276 . 15 1 1 A 64 64 ILE HA H 64 4.100 4.865 -0.765 1
1 286 . 15 1 1 A 64 64 ILE CA C 64 61.940 60.282 1.658 1
1 287 . 15 1 1 A 64 64 ILE CB C 64 38.780 39.550 -0.770 1
1 291 . 15 1 1 A 64 64 ILE N N 64 127.930 125.061 2.869 1
1 292 . 15 1 1 A 65 65 ILE H H 65 8.910 8.645 0.265 1
1 293 . 15 1 1 A 65 65 ILE HA H 65 4.490 4.388 0.102 1
1 303 . 15 1 1 A 65 65 ILE CA C 65 61.310 61.455 -0.145 1
1 304 . 15 1 1 A 65 65 ILE CB C 65 38.470 38.907 -0.437 1
1 308 . 15 1 1 A 65 65 ILE N N 65 124.530 121.810 2.720 1
1 309 . 15 1 1 A 66 66 ASP H H 66 7.520 7.766 -0.246 1
1 310 . 15 1 1 A 66 66 ASP HA H 66 4.700 4.905 -0.205 1
1 313 . 15 1 1 A 66 66 ASP CA C 66 55.520 54.164 1.356 1
1 314 . 15 1 1 A 66 66 ASP CB C 66 45.290 42.573 2.717 1
1 315 . 15 1 1 A 66 66 ASP N N 66 119.140 120.998 -1.858 1
1 316 . 15 1 1 A 67 67 LEU H H 67 8.230 8.964 -0.734 1
1 317 . 15 1 1 A 67 67 LEU HA H 67 4.980 5.274 -0.294 1
1 326 . 15 1 1 A 67 67 LEU CA C 67 54.980 53.386 1.594 1
1 327 . 15 1 1 A 67 67 LEU CB C 67 44.440 45.065 -0.625 1
1 330 . 15 1 1 A 67 67 LEU N N 67 127.890 129.146 -1.256 1
1 331 . 15 1 1 A 68 68 SER H H 68 8.810 9.032 -0.222 1
1 332 . 15 1 1 A 68 68 SER HA H 68 4.970 5.357 -0.387 1
1 335 . 15 1 1 A 68 68 SER CA C 68 57.170 57.081 0.089 1
1 336 . 15 1 1 A 68 68 SER CB C 68 65.320 66.454 -1.134 1
1 337 . 15 1 1 A 68 68 SER N N 68 122.560 124.804 -2.244 1
1 338 . 15 1 1 A 69 69 MET H H 69 9.050 8.817 0.233 1
1 339 . 15 1 1 A 69 69 MET HA H 69 4.740 5.329 -0.589 1
1 345 . 15 1 1 A 69 69 MET CA C 69 54.520 54.274 0.246 1
1 348 . 15 1 1 A 69 69 MET N N 69 122.420 123.064 -0.644 1
1 349 . 15 1 1 A 70 70 ASP H H 70 8.620 8.739 -0.119 1
1 350 . 15 1 1 A 70 70 ASP HA H 70 5.140 5.284 -0.144 1
1 353 . 15 1 1 A 70 70 ASP CA C 70 51.410 50.714 0.696 1
1 354 . 15 1 1 A 70 70 ASP CB C 70 40.930 42.450 -1.520 1
1 355 . 15 1 1 A 70 70 ASP N N 70 120.620 122.577 -1.957 1
1 356 . 15 1 1 A 71 71 PRO HA H 71 4.760 4.406 0.354 1
1 359 . 15 1 1 A 71 71 PRO CA C 71 66.380 64.394 1.986 1
1 361 . 15 1 1 A 72 72 PRO HA H 72 4.520 4.317 0.203 1
1 368 . 15 1 1 A 72 72 PRO CA C 72 65.750 65.667 0.083 1
1 369 . 15 1 1 A 72 72 PRO CB C 72 31.570 30.725 0.845 1
1 371 . 15 1 1 A 73 73 ARG H H 73 7.360 7.901 -0.541 1
1 372 . 15 1 1 A 73 73 ARG HA H 73 4.570 4.524 0.046 1
1 378 . 15 1 1 A 73 73 ARG CA C 73 55.160 57.589 -2.429 1
1 379 . 15 1 1 A 73 73 ARG CB C 73 29.000 30.842 -1.842 1
1 382 . 15 1 1 A 73 73 ARG N N 73 114.560 118.428 -3.868 1
1 383 . 15 1 1 A 74 74 ASN H H 74 8.440 8.005 0.435 1
1 384 . 15 1 1 A 74 74 ASN HA H 74 4.270 4.135 0.135 1
1 389 . 15 1 1 A 74 74 ASN CA C 74 53.830 54.516 -0.686 1
1 390 . 15 1 1 A 74 74 ASN CB C 74 37.500 36.381 1.119 1
1 391 . 15 1 1 A 74 74 ASN N N 74 115.460 115.459 0.001 1
1 393 . 15 1 1 A 75 75 CYS H H 75 7.270 7.365 -0.095 1
1 394 . 15 1 1 A 75 75 CYS HA H 75 5.730 5.199 0.531 1
1 396 . 15 1 1 A 75 75 CYS CA C 75 55.420 57.075 -1.655 1
1 397 . 15 1 1 A 75 75 CYS CB C 75 32.640 30.852 1.788 1
1 398 . 15 1 1 A 75 75 CYS N N 75 127.180 113.309 13.871 1
1 399 . 15 1 1 A 76 76 ALA H H 76 8.590 8.420 0.170 1
1 403 . 15 1 1 A 76 76 ALA CB C 76 24.400 22.444 1.956 1
1 404 . 15 1 1 A 76 76 ALA N N 76 122.120 124.052 -1.932 1
1 405 . 15 1 1 A 77 77 PHE H H 77 8.780 9.482 -0.702 1
1 406 . 15 1 1 A 77 77 PHE HA H 77 5.620 5.757 -0.137 1
1 407 . 15 1 1 A 77 77 PHE CA C 77 55.850 56.555 -0.705 1
1 408 . 15 1 1 A 77 77 PHE N N 77 115.390 118.057 -2.667 1
1 409 . 15 1 1 A 78 78 VAL H H 78 8.580 8.785 -0.205 1
1 410 . 15 1 1 A 78 78 VAL HA H 78 4.300 4.488 -0.188 1
1 418 . 15 1 1 A 78 78 VAL CA C 78 60.960 60.772 0.188 1
1 419 . 15 1 1 A 78 78 VAL CB C 78 34.360 33.320 1.040 1
1 422 . 15 1 1 A 78 78 VAL N N 78 126.440 122.443 3.997 1
1 423 . 15 1 1 A 79 79 THR H H 79 8.960 8.503 0.457 1
1 424 . 15 1 1 A 79 79 THR HA H 79 5.330 5.068 0.262 1
1 429 . 15 1 1 A 79 79 THR CA C 79 61.940 62.438 -0.498 1
1 430 . 15 1 1 A 79 79 THR CB C 79 69.910 69.885 0.025 1
1 432 . 15 1 1 A 79 79 THR N N 79 123.990 123.130 0.860 1
1 433 . 15 1 1 A 80 80 TYR H H 80 8.880 8.935 -0.055 1
1 434 . 15 1 1 A 80 80 TYR HA H 80 5.400 4.999 0.401 1
1 437 . 15 1 1 A 80 80 TYR CA C 80 57.660 56.340 1.320 1
1 438 . 15 1 1 A 80 80 TYR CB C 80 42.220 41.666 0.554 1
1 439 . 15 1 1 A 80 80 TYR N N 80 126.670 124.983 1.687 1
1 440 . 15 1 1 A 81 81 GLU H H 81 8.490 8.669 -0.179 1
1 441 . 15 1 1 A 81 81 GLU HA H 81 4.110 4.188 -0.078 1
1 446 . 15 1 1 A 81 81 GLU CA C 81 59.290 59.346 -0.056 1
1 447 . 15 1 1 A 81 81 GLU CB C 81 31.210 29.752 1.458 1
1 449 . 15 1 1 A 81 81 GLU N N 81 119.690 123.933 -4.243 1
1 450 . 15 1 1 A 82 82 LYS H H 82 8.460 7.776 0.684 1
1 451 . 15 1 1 A 82 82 LYS HA H 82 5.020 4.712 0.308 1
1 457 . 15 1 1 A 82 82 LYS CA C 82 54.140 54.886 -0.746 1
1 458 . 15 1 1 A 82 82 LYS CB C 82 34.420 36.014 -1.594 1
1 462 . 15 1 1 A 82 82 LYS N N 82 113.920 116.987 -3.067 1
1 463 . 15 1 1 A 83 83 MET H H 83 9.100 9.032 0.068 1
1 464 . 15 1 1 A 83 83 MET HA H 83 4.070 4.254 -0.184 1
1 468 . 15 1 1 A 83 83 MET CA C 83 59.570 57.886 1.684 1
1 469 . 15 1 1 A 83 83 MET CB C 83 32.420 31.705 0.715 1
1 471 . 15 1 1 A 83 83 MET N N 83 122.530 121.437 1.093 1
1 472 . 15 1 1 A 84 84 GLU H H 84 9.690 7.928 1.762 1
1 473 . 15 1 1 A 84 84 GLU HA H 84 4.240 4.090 0.150 1
1 477 . 15 1 1 A 84 84 GLU CA C 84 60.040 59.142 0.898 1
1 478 . 15 1 1 A 84 84 GLU CB C 84 28.640 29.727 -1.087 1
1 480 . 15 1 1 A 84 84 GLU N N 84 117.940 119.766 -1.826 1
1 481 . 15 1 1 A 85 85 SER H H 85 7.110 7.835 -0.725 1
1 482 . 15 1 1 A 85 85 SER HA H 85 4.130 3.872 0.258 1
1 485 . 15 1 1 A 85 85 SER CA C 85 61.840 61.244 0.596 1
1 486 . 15 1 1 A 85 85 SER CB C 85 62.400 62.513 -0.113 1
1 487 . 15 1 1 A 85 85 SER N N 85 115.500 115.794 -0.294 1
1 488 . 15 1 1 A 86 86 ALA H H 86 6.860 7.936 -1.076 1
1 489 . 15 1 1 A 86 86 ALA HA H 86 4.080 4.375 -0.295 1
1 493 . 15 1 1 A 86 86 ALA CA C 86 55.210 54.885 0.325 1
1 494 . 15 1 1 A 86 86 ALA CB C 86 18.070 18.395 -0.325 1
1 495 . 15 1 1 A 86 86 ALA N N 86 122.760 122.646 0.114 1
1 496 . 15 1 1 A 87 87 ASP H H 87 7.680 7.959 -0.279 1
1 497 . 15 1 1 A 87 87 ASP HA H 87 4.390 4.322 0.068 1
1 500 . 15 1 1 A 87 87 ASP CA C 87 57.470 57.742 -0.272 1
1 501 . 15 1 1 A 87 87 ASP CB C 87 40.850 41.131 -0.281 1
1 502 . 15 1 1 A 87 87 ASP N N 87 115.980 118.829 -2.849 1
1 503 . 15 1 1 A 88 88 GLN H H 88 7.670 7.974 -0.304 1
1 504 . 15 1 1 A 88 88 GLN HA H 88 4.040 4.146 -0.106 1
1 511 . 15 1 1 A 88 88 GLN CA C 88 58.500 58.918 -0.418 1
1 512 . 15 1 1 A 88 88 GLN CB C 88 28.270 28.971 -0.701 1
1 514 . 15 1 1 A 88 88 GLN N N 88 119.920 119.001 0.919 1
1 516 . 15 1 1 A 89 89 ALA H H 89 7.950 7.732 0.218 1
1 517 . 15 1 1 A 89 89 ALA HA H 89 2.800 2.153 0.647 1
1 521 . 15 1 1 A 89 89 ALA CA C 89 54.930 54.324 0.606 1
1 522 . 15 1 1 A 89 89 ALA CB C 89 19.340 18.258 1.082 1
1 523 . 15 1 1 A 89 89 ALA N N 89 121.330 121.953 -0.623 1
1 524 . 15 1 1 A 90 90 VAL H H 90 8.030 8.684 -0.654 1
1 525 . 15 1 1 A 90 90 VAL HA H 90 3.370 3.550 -0.180 1
1 533 . 15 1 1 A 90 90 VAL CA C 90 67.090 66.385 0.705 1
1 534 . 15 1 1 A 90 90 VAL CB C 90 32.180 31.493 0.687 1
1 537 . 15 1 1 A 90 90 VAL N N 90 116.630 117.950 -1.320 1
1 538 . 15 1 1 A 91 91 ALA H H 91 7.350 8.264 -0.914 1
1 539 . 15 1 1 A 91 91 ALA HA H 91 4.130 4.146 -0.016 1
1 543 . 15 1 1 A 91 91 ALA CA C 91 54.810 55.172 -0.362 1
1 544 . 15 1 1 A 91 91 ALA CB C 91 18.330 18.428 -0.098 1
1 545 . 15 1 1 A 91 91 ALA N N 91 119.620 121.843 -2.223 1
1 546 . 15 1 1 A 92 92 GLU H H 92 7.960 8.160 -0.200 1
1 547 . 15 1 1 A 92 92 GLU HA H 92 4.360 4.151 0.209 1
1 552 . 15 1 1 A 92 92 GLU CA C 92 57.930 58.801 -0.871 1
1 553 . 15 1 1 A 92 92 GLU CB C 92 30.980 29.663 1.317 1
1 555 . 15 1 1 A 92 92 GLU N N 92 113.770 119.048 -5.278 1
1 556 . 15 1 1 A 93 93 LEU H H 93 8.310 8.296 0.014 1
1 557 . 15 1 1 A 93 93 LEU HA H 93 4.620 3.970 0.650 1
1 567 . 15 1 1 A 93 93 LEU CA C 93 55.810 57.648 -1.838 1
1 568 . 15 1 1 A 93 93 LEU CB C 93 44.130 41.282 2.848 1
1 572 . 15 1 1 A 93 93 LEU N N 93 114.550 119.115 -4.565 1
1 573 . 15 1 1 A 94 94 ASN H H 94 7.910 7.668 0.242 1
1 574 . 15 1 1 A 94 94 ASN HA H 94 4.430 4.335 0.095 1
1 577 . 15 1 1 A 94 94 ASN CA C 94 56.690 54.972 1.718 1
1 578 . 15 1 1 A 94 94 ASN N N 94 116.840 117.600 -0.760 1
1 580 . 15 1 1 A 95 95 GLY H H 95 8.890 8.750 0.140 1
1 581 . 15 1 1 A 95 95 GLY HA2 H 95 3.960 3.937 0.023 1
1 582 . 15 1 1 A 95 95 GLY HA3 H 95 4.290 3.939 0.351 1
1 583 . 15 1 1 A 95 95 GLY CA C 95 46.090 45.912 0.178 1
1 584 . 15 1 1 A 95 95 GLY N N 95 116.350 113.470 2.880 1
1 585 . 15 1 1 A 96 96 THR H H 96 7.860 7.654 0.206 1
1 586 . 15 1 1 A 96 96 THR HA H 96 4.660 4.990 -0.330 1
1 591 . 15 1 1 A 96 96 THR CA C 96 60.880 59.290 1.590 1
1 592 . 15 1 1 A 96 96 THR CB C 96 71.090 72.174 -1.084 1
1 594 . 15 1 1 A 96 96 THR N N 96 113.920 110.872 3.048 1
1 595 . 15 1 1 A 97 97 GLN H H 97 8.360 8.763 -0.403 1
1 596 . 15 1 1 A 97 97 GLN HA H 97 5.210 5.044 0.166 1
1 602 . 15 1 1 A 97 97 GLN CA C 97 54.170 54.094 0.076 1
1 603 . 15 1 1 A 97 97 GLN CB C 97 30.470 32.404 -1.934 1
1 605 . 15 1 1 A 97 97 GLN N N 97 119.550 120.899 -1.349 1
1 607 . 15 1 1 A 98 98 VAL H H 98 8.900 9.521 -0.621 1
1 608 . 15 1 1 A 98 98 VAL HA H 98 4.200 4.500 -0.300 1
1 616 . 15 1 1 A 98 98 VAL CA C 98 61.350 61.140 0.210 1
1 617 . 15 1 1 A 98 98 VAL CB C 98 33.600 32.477 1.123 1
1 620 . 15 1 1 A 98 98 VAL N N 98 127.260 124.787 2.473 1
1 621 . 15 1 1 A 99 99 GLU H H 99 9.160 8.560 0.600 1
1 622 . 15 1 1 A 99 99 GLU HA H 99 3.820 4.070 -0.250 1
1 625 . 15 1 1 A 99 99 GLU CA C 99 57.950 59.400 -1.450 1
1 626 . 15 1 1 A 99 99 GLU CB C 99 27.110 29.801 -2.691 1
1 628 . 15 1 1 A 99 99 GLU N N 99 124.200 123.472 0.728 1
1 629 . 15 1 1 A 100 100 SER H H 100 8.330 7.840 0.490 1
1 630 . 15 1 1 A 100 100 SER HA H 100 4.280 4.632 -0.352 1
1 633 . 15 1 1 A 100 100 SER CA C 100 59.780 57.700 2.080 1
1 634 . 15 1 1 A 100 100 SER CB C 100 63.300 64.337 -1.037 1
1 635 . 15 1 1 A 100 100 SER N N 100 111.660 111.884 -0.224 1
1 636 . 15 1 1 A 101 101 VAL H H 101 8.410 7.625 0.785 1
1 637 . 15 1 1 A 101 101 VAL HA H 101 4.210 4.784 -0.574 1
1 645 . 15 1 1 A 101 101 VAL CA C 101 62.080 60.676 1.404 1
1 646 . 15 1 1 A 101 101 VAL CB C 101 33.200 36.377 -3.177 1
1 649 . 15 1 1 A 101 101 VAL N N 101 124.550 120.415 4.135 1
1 650 . 15 1 1 A 102 102 GLN H H 102 8.510 8.508 0.002 1
1 651 . 15 1 1 A 102 102 GLN HA H 102 4.590 4.908 -0.318 1
1 658 . 15 1 1 A 102 102 GLN CA C 102 55.090 55.271 -0.181 1
1 659 . 15 1 1 A 102 102 GLN CB C 102 28.620 31.222 -2.602 1
1 661 . 15 1 1 A 102 102 GLN N N 102 127.320 125.766 1.554 1
1 663 . 15 1 1 A 103 103 LEU H H 103 8.710 8.759 -0.049 1
1 664 . 15 1 1 A 103 103 LEU HA H 103 5.050 5.173 -0.123 1
1 674 . 15 1 1 A 103 103 LEU CA C 103 54.740 53.276 1.464 1
1 675 . 15 1 1 A 103 103 LEU CB C 103 44.820 44.865 -0.045 1
1 679 . 15 1 1 A 103 103 LEU N N 103 126.610 123.099 3.511 1
1 680 . 15 1 1 A 104 104 LYS H H 104 8.690 9.136 -0.446 1
1 681 . 15 1 1 A 104 104 LYS HA H 104 5.030 5.014 0.016 1
1 688 . 15 1 1 A 104 104 LYS CA C 104 55.480 54.990 0.490 1
1 689 . 15 1 1 A 104 104 LYS CB C 104 34.520 35.247 -0.727 1
1 693 . 15 1 1 A 104 104 LYS N N 104 124.080 123.238 0.842 1
1 694 . 15 1 1 A 105 105 VAL H H 105 9.050 8.922 0.128 1
1 695 . 15 1 1 A 105 105 VAL HA H 105 5.190 5.292 -0.102 1
1 703 . 15 1 1 A 105 105 VAL CA C 105 60.840 60.763 0.077 1
1 704 . 15 1 1 A 105 105 VAL CB C 105 35.660 34.534 1.126 1
1 707 . 15 1 1 A 105 105 VAL N N 105 123.920 123.541 0.379 1
1 708 . 15 1 1 A 106 106 ASN H H 106 9.300 9.186 0.114 1
1 709 . 15 1 1 A 106 106 ASN HA H 106 5.220 5.349 -0.129 1
1 714 . 15 1 1 A 106 106 ASN CA C 106 51.630 51.496 0.134 1
1 715 . 15 1 1 A 106 106 ASN CB C 106 43.840 43.223 0.617 1
1 716 . 15 1 1 A 106 106 ASN N N 106 122.780 123.755 -0.975 1
1 718 . 15 1 1 A 107 107 ILE H H 107 9.050 8.797 0.253 1
1 719 . 15 1 1 A 107 107 ILE HA H 107 4.160 4.830 -0.670 1
1 729 . 15 1 1 A 107 107 ILE CA C 107 61.670 60.171 1.499 1
1 730 . 15 1 1 A 107 107 ILE CB C 107 36.140 39.685 -3.545 1
1 733 . 15 1 1 A 107 107 ILE N N 107 122.980 120.472 2.508 1
1 734 . 15 1 1 A 108 108 ALA H H 108 8.740 8.577 0.163 1
1 735 . 15 1 1 A 108 108 ALA HA H 108 4.780 5.208 -0.428 1
1 739 . 15 1 1 A 108 108 ALA CA C 108 52.620 50.564 2.056 1
1 740 . 15 1 1 A 108 108 ALA CB C 108 19.570 22.794 -3.224 1
1 741 . 15 1 1 A 108 108 ALA N N 108 131.610 129.820 1.790 1
1 742 . 15 1 1 A 109 109 ARG HA H 109 4.390 4.634 -0.244 1
1 746 . 15 1 1 A 109 109 ARG CA C 109 56.120 55.358 0.762 1
1 747 . 15 1 1 A 109 109 ARG CB C 109 31.010 30.152 0.858 1
1 749 . 15 1 1 A 111 111 GLN HA H 111 4.630 4.756 -0.126 1
1 754 . 15 1 1 A 111 111 GLN CA C 111 55.160 52.933 2.227 1
1 755 . 15 1 1 A 111 111 GLN CB C 111 32.900 29.142 3.758 1
1 757 . 15 1 1 A 112 112 PRO HA H 112 4.370 4.416 -0.046 1
1 761 . 15 1 1 A 112 112 PRO CA C 112 64.090 64.281 -0.191 1
1 762 . 15 1 1 A 112 112 PRO CB C 112 32.650 32.069 0.581 1
1 767 . 15 1 1 A 114 114 LEU H H 114 7.710 7.297 0.413 1
1 768 . 15 1 1 A 114 114 LEU HA H 114 4.440 4.572 -0.132 1
1 777 . 15 1 1 A 114 114 LEU CB C 114 42.640 43.390 -0.750 1
1 780 . 15 1 1 A 114 114 LEU N N 114 123.050 119.274 3.776 1
1 781 . 15 1 1 A 115 115 ASP H H 115 8.440 8.406 0.034 1
1 782 . 15 1 1 A 115 115 ASP HA H 115 4.610 4.275 0.335 1
1 785 . 15 1 1 A 115 115 ASP CA C 115 54.620 55.575 -0.955 1
1 786 . 15 1 1 A 115 115 ASP CB C 115 40.720 39.059 1.661 1
1 787 . 15 1 1 A 115 115 ASP N N 115 119.520 115.522 3.998 1
1 788 . 15 1 1 A 116 116 ALA H H 116 8.060 8.321 -0.261 1
1 789 . 15 1 1 A 116 116 ALA HA H 116 4.320 4.425 -0.105 1
1 793 . 15 1 1 A 116 116 ALA CA C 116 53.080 54.945 -1.865 1
1 794 . 15 1 1 A 116 116 ALA CB C 116 19.000 17.911 1.089 1
1 795 . 15 1 1 A 116 116 ALA N N 116 123.460 113.583 9.877 1
1 796 . 15 1 1 A 117 117 ALA H H 117 8.110 7.949 0.161 1
1 797 . 15 1 1 A 117 117 ALA HA H 117 4.640 4.541 0.099 1
1 801 . 15 1 1 A 117 117 ALA CA C 117 52.600 52.889 -0.289 1
1 802 . 15 1 1 A 117 117 ALA CB C 117 19.360 19.530 -0.170 1
1 803 . 15 1 1 A 117 117 ALA N N 117 121.130 117.827 3.303 1
1 804 . 15 1 1 A 118 118 THR H H 118 8.060 8.457 -0.397 1
1 805 . 15 1 1 A 118 118 THR HA H 118 4.430 4.328 0.102 1
1 810 . 15 1 1 A 118 118 THR CA C 118 62.130 64.837 -2.707 1
1 811 . 15 1 1 A 118 118 THR CB C 118 69.840 68.362 1.478 1
1 813 . 15 1 1 A 118 118 THR N N 118 112.100 110.184 1.916 1
1 814 . 15 1 1 A 119 119 GLY H H 119 8.430 7.835 0.595 1
1 815 . 15 1 1 A 119 119 GLY N N 119 111.230 110.165 1.065 1
1 816 . 15 1 1 A 120 120 LYS H H 120 8.200 8.938 -0.738 1
1 817 . 15 1 1 A 120 120 LYS HA H 120 4.510 3.851 0.659 1
1 821 . 15 1 1 A 120 120 LYS CA C 120 56.110 57.101 -0.991 1
1 822 . 15 1 1 A 120 120 LYS CB C 120 33.270 29.547 3.723 1
1 823 . 15 1 1 A 120 120 LYS N N 120 121.180 118.634 2.546 1
1 17 . 16 1 1 A 37 37 ARG H H 37 8.370 7.853 0.517 1
1 18 . 16 1 1 A 37 37 ARG N N 37 121.030 119.686 1.344 1
1 19 . 16 1 1 A 38 38 LYS H H 38 8.150 8.739 -0.589 1
1 20 . 16 1 1 A 38 38 LYS HA H 38 4.750 5.028 -0.278 1
1 25 . 16 1 1 A 38 38 LYS CA C 38 54.190 54.529 -0.339 1
1 26 . 16 1 1 A 38 38 LYS CB C 38 35.040 34.692 0.348 1
1 27 . 16 1 1 A 38 38 LYS N N 38 119.860 122.495 -2.635 1
1 28 . 16 1 1 A 39 39 GLY H H 39 8.710 8.760 -0.050 1
1 29 . 16 1 1 A 39 39 GLY HA3 H 39 4.050 4.341 -0.291 1
1 30 . 16 1 1 A 39 39 GLY CA C 39 45.460 45.736 -0.276 1
1 31 . 16 1 1 A 39 39 GLY N N 39 107.990 108.429 -0.439 1
1 32 . 16 1 1 A 40 40 ASN H H 40 8.300 8.632 -0.332 1
1 33 . 16 1 1 A 40 40 ASN HA H 40 4.850 5.381 -0.531 1
1 38 . 16 1 1 A 40 40 ASN CA C 40 54.110 52.316 1.794 1
1 39 . 16 1 1 A 40 40 ASN CB C 40 37.840 42.472 -4.632 1
1 40 . 16 1 1 A 40 40 ASN N N 40 115.650 117.668 -2.018 1
1 42 . 16 1 1 A 41 41 THR HA H 41 5.400 5.568 -0.168 1
1 47 . 16 1 1 A 41 41 THR CA C 41 63.410 61.073 2.337 1
1 48 . 16 1 1 A 41 41 THR CB C 41 69.930 72.937 -3.007 1
1 50 . 16 1 1 A 42 42 LEU H H 42 9.900 8.878 1.022 1
1 51 . 16 1 1 A 42 42 LEU HA H 42 5.090 5.066 0.024 1
1 61 . 16 1 1 A 42 42 LEU CA C 42 53.260 53.819 -0.559 1
1 62 . 16 1 1 A 42 42 LEU CB C 42 43.590 46.164 -2.574 1
1 66 . 16 1 1 A 42 42 LEU N N 42 127.870 124.294 3.576 1
1 67 . 16 1 1 A 43 43 TYR H H 43 9.190 8.980 0.210 1
1 68 . 16 1 1 A 43 43 TYR HA H 43 4.420 4.971 -0.551 1
1 71 . 16 1 1 A 43 43 TYR CB C 43 40.310 40.420 -0.110 1
1 72 . 16 1 1 A 43 43 TYR N N 43 124.140 125.007 -0.867 1
1 73 . 16 1 1 A 44 44 VAL H H 44 7.980 9.229 -1.249 1
1 74 . 16 1 1 A 44 44 VAL HA H 44 4.810 5.088 -0.278 1
1 82 . 16 1 1 A 44 44 VAL CA C 44 59.320 61.480 -2.160 1
1 83 . 16 1 1 A 44 44 VAL CB C 44 34.360 32.950 1.410 1
1 86 . 16 1 1 A 44 44 VAL N N 44 127.360 128.115 -0.755 1
1 87 . 16 1 1 A 45 45 TYR H H 45 9.020 8.704 0.316 1
1 88 . 16 1 1 A 45 45 TYR HA H 45 4.980 5.260 -0.280 1
1 94 . 16 1 1 A 45 45 TYR CA C 45 55.680 55.552 0.128 1
1 95 . 16 1 1 A 45 45 TYR CB C 45 42.210 41.982 0.228 1
1 96 . 16 1 1 A 45 45 TYR N N 45 126.390 128.048 -1.658 1
1 97 . 16 1 1 A 46 46 GLY H H 46 7.510 7.480 0.030 1
1 98 . 16 1 1 A 46 46 GLY HA2 H 46 3.830 3.994 -0.164 1
1 99 . 16 1 1 A 46 46 GLY HA3 H 46 3.830 4.042 -0.212 1
1 100 . 16 1 1 A 46 46 GLY CA C 46 45.360 45.921 -0.561 1
1 101 . 16 1 1 A 46 46 GLY N N 46 114.220 111.603 2.617 1
1 102 . 16 1 1 A 47 47 GLU H H 47 8.750 8.570 0.180 1
1 103 . 16 1 1 A 47 47 GLU HA H 47 3.990 4.750 -0.760 1
1 108 . 16 1 1 A 47 47 GLU CA C 47 56.720 54.529 2.191 1
1 109 . 16 1 1 A 47 47 GLU CB C 47 30.460 33.172 -2.712 1
1 111 . 16 1 1 A 47 47 GLU N N 47 123.880 120.204 3.676 1
1 112 . 16 1 1 A 48 48 ASP H H 48 8.540 8.644 -0.104 1
1 113 . 16 1 1 A 48 48 ASP HA H 48 4.250 4.074 0.176 1
1 116 . 16 1 1 A 48 48 ASP CA C 48 55.210 55.079 0.131 1
1 117 . 16 1 1 A 48 48 ASP CB C 48 39.150 39.422 -0.272 1
1 118 . 16 1 1 A 48 48 ASP N N 48 117.200 118.165 -0.965 1
1 119 . 16 1 1 A 49 49 MET H H 49 8.190 7.769 0.421 1
1 120 . 16 1 1 A 49 49 MET HA H 49 4.120 4.923 -0.803 1
1 126 . 16 1 1 A 49 49 MET CA C 49 57.510 54.033 3.477 1
1 127 . 16 1 1 A 49 49 MET CB C 49 34.620 33.947 0.673 1
1 129 . 16 1 1 A 49 49 MET N N 49 114.560 116.966 -2.406 1
1 130 . 16 1 1 A 50 50 THR H H 50 6.510 8.631 -2.121 1
1 131 . 16 1 1 A 50 50 THR HA H 50 5.020 4.912 0.108 1
1 136 . 16 1 1 A 50 50 THR CA C 50 57.960 58.540 -0.580 1
1 137 . 16 1 1 A 50 50 THR CB C 50 70.150 70.144 0.006 1
1 139 . 16 1 1 A 50 50 THR N N 50 108.060 114.549 -6.489 1
1 140 . 16 1 1 A 51 51 PRO HA H 51 4.340 4.274 0.066 1
1 146 . 16 1 1 A 51 51 PRO CA C 51 65.790 65.806 -0.016 1
1 147 . 16 1 1 A 51 51 PRO CB C 51 31.780 31.553 0.227 1
1 150 . 16 1 1 A 52 52 THR H H 52 7.640 7.850 -0.210 1
1 151 . 16 1 1 A 52 52 THR HA H 52 3.980 3.998 -0.018 1
1 156 . 16 1 1 A 52 52 THR CA C 52 66.160 65.752 0.408 1
1 157 . 16 1 1 A 52 52 THR CB C 52 68.430 68.612 -0.182 1
1 159 . 16 1 1 A 52 52 THR N N 52 111.520 111.530 -0.010 1
1 160 . 16 1 1 A 53 53 LEU H H 53 7.810 8.053 -0.243 1
1 161 . 16 1 1 A 53 53 LEU HA H 53 4.130 4.044 0.086 1
1 171 . 16 1 1 A 53 53 LEU CA C 53 58.360 58.402 -0.042 1
1 172 . 16 1 1 A 53 53 LEU CB C 53 42.970 41.601 1.369 1
1 176 . 16 1 1 A 53 53 LEU N N 53 125.410 121.422 3.988 1
1 177 . 16 1 1 A 54 54 LEU H H 54 7.840 8.148 -0.308 1
1 178 . 16 1 1 A 54 54 LEU HA H 54 4.260 3.987 0.273 1
1 188 . 16 1 1 A 54 54 LEU CA C 54 57.580 58.408 -0.828 1
1 189 . 16 1 1 A 54 54 LEU CB C 54 42.330 41.736 0.594 1
1 193 . 16 1 1 A 54 54 LEU N N 54 117.150 119.097 -1.947 1
1 194 . 16 1 1 A 55 55 ARG H H 55 9.020 8.752 0.268 1
1 195 . 16 1 1 A 55 55 ARG HA H 55 3.880 4.154 -0.274 1
1 202 . 16 1 1 A 55 55 ARG CA C 55 60.890 59.184 1.706 1
1 203 . 16 1 1 A 55 55 ARG CB C 55 29.580 29.880 -0.300 1
1 206 . 16 1 1 A 55 55 ARG N N 55 120.050 117.634 2.416 1
1 207 . 16 1 1 A 56 56 GLY H H 56 8.180 8.281 -0.101 1
1 208 . 16 1 1 A 56 56 GLY HA2 H 56 3.940 3.889 0.051 1
1 209 . 16 1 1 A 56 56 GLY HA3 H 56 4.100 3.905 0.195 1
1 210 . 16 1 1 A 56 56 GLY CA C 56 47.210 47.069 0.141 1
1 211 . 16 1 1 A 56 56 GLY N N 56 106.700 108.085 -1.385 1
1 212 . 16 1 1 A 57 57 ALA H H 57 7.830 7.994 -0.164 1
1 213 . 16 1 1 A 57 57 ALA HA H 57 4.360 4.043 0.317 1
1 217 . 16 1 1 A 57 57 ALA CA C 57 53.590 54.032 -0.442 1
1 218 . 16 1 1 A 57 57 ALA CB C 57 19.050 18.272 0.778 1
1 219 . 16 1 1 A 57 57 ALA N N 57 120.270 124.666 -4.396 1
1 220 . 16 1 1 A 58 58 PHE H H 58 8.600 8.205 0.395 1
1 221 . 16 1 1 A 58 58 PHE HA H 58 4.790 5.669 -0.879 1
1 227 . 16 1 1 A 58 58 PHE CA C 58 60.210 57.650 2.560 1
1 228 . 16 1 1 A 58 58 PHE CB C 58 38.390 39.523 -1.133 1
1 229 . 16 1 1 A 58 58 PHE N N 58 110.250 116.730 -6.480 1
1 230 . 16 1 1 A 59 59 SER H H 59 8.610 7.943 0.667 1
1 231 . 16 1 1 A 59 59 SER HA H 59 4.810 4.420 0.390 1
1 234 . 16 1 1 A 59 59 SER CA C 59 63.540 62.484 1.056 1
1 235 . 16 1 1 A 59 59 SER CB C 59 62.910 62.686 0.224 1
1 236 . 16 1 1 A 59 59 SER N N 59 122.860 116.549 6.311 1
1 237 . 16 1 1 A 60 60 PRO HA H 60 4.280 4.320 -0.040 1
1 244 . 16 1 1 A 60 60 PRO CA C 60 65.680 65.593 0.087 1
1 245 . 16 1 1 A 60 60 PRO CB C 60 31.420 30.558 0.862 1
1 248 . 16 1 1 A 61 61 PHE H H 61 6.850 8.480 -1.630 1
1 249 . 16 1 1 A 61 61 PHE HA H 61 4.510 4.229 0.281 1
1 257 . 16 1 1 A 61 61 PHE CA C 61 58.310 60.598 -2.288 1
1 258 . 16 1 1 A 61 61 PHE CB C 61 38.920 38.885 0.035 1
1 259 . 16 1 1 A 61 61 PHE N N 61 109.700 116.596 -6.896 1
1 260 . 16 1 1 A 62 62 GLY H H 62 7.800 7.585 0.215 1
1 261 . 16 1 1 A 62 62 GLY HA2 H 62 4.090 3.971 0.119 1
1 262 . 16 1 1 A 62 62 GLY HA3 H 62 4.290 4.108 0.182 1
1 263 . 16 1 1 A 62 62 GLY CA C 62 45.290 45.889 -0.599 1
1 264 . 16 1 1 A 62 62 GLY N N 62 106.520 103.781 2.739 1
1 265 . 16 1 1 A 63 63 ASN H H 63 8.520 8.611 -0.091 1
1 266 . 16 1 1 A 63 63 ASN HA H 63 4.920 5.250 -0.330 1
1 271 . 16 1 1 A 63 63 ASN CA C 63 52.930 53.012 -0.082 1
1 272 . 16 1 1 A 63 63 ASN CB C 63 38.630 39.776 -1.146 1
1 273 . 16 1 1 A 63 63 ASN N N 63 117.020 118.634 -1.614 1
1 275 . 16 1 1 A 64 64 ILE H H 64 8.750 9.053 -0.303 1
1 276 . 16 1 1 A 64 64 ILE HA H 64 4.100 4.863 -0.763 1
1 286 . 16 1 1 A 64 64 ILE CA C 64 61.940 60.491 1.449 1
1 287 . 16 1 1 A 64 64 ILE CB C 64 38.780 39.565 -0.785 1
1 291 . 16 1 1 A 64 64 ILE N N 64 127.930 123.305 4.625 1
1 292 . 16 1 1 A 65 65 ILE H H 65 8.910 8.574 0.336 1
1 293 . 16 1 1 A 65 65 ILE HA H 65 4.490 4.428 0.062 1
1 303 . 16 1 1 A 65 65 ILE CA C 65 61.310 61.296 0.014 1
1 304 . 16 1 1 A 65 65 ILE CB C 65 38.470 39.184 -0.714 1
1 308 . 16 1 1 A 65 65 ILE N N 65 124.530 120.673 3.857 1
1 309 . 16 1 1 A 66 66 ASP H H 66 7.520 7.742 -0.222 1
1 310 . 16 1 1 A 66 66 ASP HA H 66 4.700 5.066 -0.366 1
1 313 . 16 1 1 A 66 66 ASP CA C 66 55.520 53.848 1.672 1
1 314 . 16 1 1 A 66 66 ASP CB C 66 45.290 44.025 1.265 1
1 315 . 16 1 1 A 66 66 ASP N N 66 119.140 120.982 -1.842 1
1 316 . 16 1 1 A 67 67 LEU H H 67 8.230 8.927 -0.697 1
1 317 . 16 1 1 A 67 67 LEU HA H 67 4.980 5.153 -0.173 1
1 326 . 16 1 1 A 67 67 LEU CA C 67 54.980 53.326 1.654 1
1 327 . 16 1 1 A 67 67 LEU CB C 67 44.440 45.342 -0.902 1
1 330 . 16 1 1 A 67 67 LEU N N 67 127.890 128.354 -0.464 1
1 331 . 16 1 1 A 68 68 SER H H 68 8.810 9.010 -0.200 1
1 332 . 16 1 1 A 68 68 SER HA H 68 4.970 5.343 -0.373 1
1 335 . 16 1 1 A 68 68 SER CA C 68 57.170 56.680 0.490 1
1 336 . 16 1 1 A 68 68 SER CB C 68 65.320 65.395 -0.075 1
1 337 . 16 1 1 A 68 68 SER N N 68 122.560 121.506 1.054 1
1 338 . 16 1 1 A 69 69 MET H H 69 9.050 8.891 0.159 1
1 339 . 16 1 1 A 69 69 MET HA H 69 4.740 5.268 -0.528 1
1 345 . 16 1 1 A 69 69 MET CA C 69 54.520 54.149 0.371 1
1 348 . 16 1 1 A 69 69 MET N N 69 122.420 123.718 -1.298 1
1 349 . 16 1 1 A 70 70 ASP H H 70 8.620 8.969 -0.349 1
1 350 . 16 1 1 A 70 70 ASP HA H 70 5.140 5.268 -0.128 1
1 353 . 16 1 1 A 70 70 ASP CA C 70 51.410 50.766 0.644 1
1 354 . 16 1 1 A 70 70 ASP CB C 70 40.930 42.407 -1.477 1
1 355 . 16 1 1 A 70 70 ASP N N 70 120.620 122.190 -1.570 1
1 356 . 16 1 1 A 71 71 PRO HA H 71 4.760 4.382 0.378 1
1 359 . 16 1 1 A 71 71 PRO CA C 71 66.380 64.396 1.984 1
1 361 . 16 1 1 A 72 72 PRO HA H 72 4.520 4.391 0.129 1
1 368 . 16 1 1 A 72 72 PRO CA C 72 65.750 65.020 0.730 1
1 369 . 16 1 1 A 72 72 PRO CB C 72 31.570 31.362 0.208 1
1 371 . 16 1 1 A 73 73 ARG H H 73 7.360 8.147 -0.787 1
1 372 . 16 1 1 A 73 73 ARG HA H 73 4.570 4.540 0.030 1
1 378 . 16 1 1 A 73 73 ARG CA C 73 55.160 55.212 -0.052 1
1 379 . 16 1 1 A 73 73 ARG CB C 73 29.000 31.172 -2.172 1
1 382 . 16 1 1 A 73 73 ARG N N 73 114.560 116.766 -2.206 1
1 383 . 16 1 1 A 74 74 ASN H H 74 8.440 7.980 0.460 1
1 384 . 16 1 1 A 74 74 ASN HA H 74 4.270 4.148 0.122 1
1 389 . 16 1 1 A 74 74 ASN CA C 74 53.830 54.532 -0.702 1
1 390 . 16 1 1 A 74 74 ASN CB C 74 37.500 36.516 0.984 1
1 391 . 16 1 1 A 74 74 ASN N N 74 115.460 115.087 0.373 1
1 393 . 16 1 1 A 75 75 CYS H H 75 7.270 7.524 -0.254 1
1 394 . 16 1 1 A 75 75 CYS HA H 75 5.730 5.094 0.636 1
1 396 . 16 1 1 A 75 75 CYS CA C 75 55.420 56.968 -1.548 1
1 397 . 16 1 1 A 75 75 CYS CB C 75 32.640 30.865 1.775 1
1 398 . 16 1 1 A 75 75 CYS N N 75 127.180 113.322 13.858 1
1 399 . 16 1 1 A 76 76 ALA H H 76 8.590 8.734 -0.144 1
1 403 . 16 1 1 A 76 76 ALA CB C 76 24.400 22.846 1.554 1
1 404 . 16 1 1 A 76 76 ALA N N 76 122.120 123.801 -1.681 1
1 405 . 16 1 1 A 77 77 PHE H H 77 8.780 9.830 -1.050 1
1 406 . 16 1 1 A 77 77 PHE HA H 77 5.620 5.747 -0.127 1
1 407 . 16 1 1 A 77 77 PHE CA C 77 55.850 56.513 -0.663 1
1 408 . 16 1 1 A 77 77 PHE N N 77 115.390 118.995 -3.605 1
1 409 . 16 1 1 A 78 78 VAL H H 78 8.580 8.799 -0.219 1
1 410 . 16 1 1 A 78 78 VAL HA H 78 4.300 4.723 -0.423 1
1 418 . 16 1 1 A 78 78 VAL CA C 78 60.960 60.278 0.682 1
1 419 . 16 1 1 A 78 78 VAL CB C 78 34.360 34.892 -0.532 1
1 422 . 16 1 1 A 78 78 VAL N N 78 126.440 121.738 4.702 1
1 423 . 16 1 1 A 79 79 THR H H 79 8.960 8.234 0.726 1
1 424 . 16 1 1 A 79 79 THR HA H 79 5.330 5.514 -0.184 1
1 429 . 16 1 1 A 79 79 THR CA C 79 61.940 61.373 0.567 1
1 430 . 16 1 1 A 79 79 THR CB C 79 69.910 70.680 -0.770 1
1 432 . 16 1 1 A 79 79 THR N N 79 123.990 122.740 1.250 1
1 433 . 16 1 1 A 80 80 TYR H H 80 8.880 8.964 -0.084 1
1 434 . 16 1 1 A 80 80 TYR HA H 80 5.400 4.974 0.426 1
1 437 . 16 1 1 A 80 80 TYR CA C 80 57.660 56.485 1.175 1
1 438 . 16 1 1 A 80 80 TYR CB C 80 42.220 41.184 1.036 1
1 439 . 16 1 1 A 80 80 TYR N N 80 126.670 125.277 1.393 1
1 440 . 16 1 1 A 81 81 GLU H H 81 8.490 9.130 -0.640 1
1 441 . 16 1 1 A 81 81 GLU HA H 81 4.110 4.061 0.049 1
1 446 . 16 1 1 A 81 81 GLU CA C 81 59.290 59.444 -0.154 1
1 447 . 16 1 1 A 81 81 GLU CB C 81 31.210 29.723 1.487 1
1 449 . 16 1 1 A 81 81 GLU N N 81 119.690 125.393 -5.703 1
1 450 . 16 1 1 A 82 82 LYS H H 82 8.460 7.745 0.715 1
1 451 . 16 1 1 A 82 82 LYS HA H 82 5.020 4.773 0.247 1
1 457 . 16 1 1 A 82 82 LYS CA C 82 54.140 54.551 -0.411 1
1 458 . 16 1 1 A 82 82 LYS CB C 82 34.420 36.764 -2.344 1
1 462 . 16 1 1 A 82 82 LYS N N 82 113.920 116.963 -3.043 1
1 463 . 16 1 1 A 83 83 MET H H 83 9.100 8.910 0.190 1
1 464 . 16 1 1 A 83 83 MET HA H 83 4.070 4.464 -0.394 1
1 468 . 16 1 1 A 83 83 MET CA C 83 59.570 57.026 2.544 1
1 469 . 16 1 1 A 83 83 MET CB C 83 32.420 32.061 0.359 1
1 471 . 16 1 1 A 83 83 MET N N 83 122.530 121.237 1.293 1
1 472 . 16 1 1 A 84 84 GLU H H 84 9.690 7.798 1.892 1
1 473 . 16 1 1 A 84 84 GLU HA H 84 4.240 4.050 0.190 1
1 477 . 16 1 1 A 84 84 GLU CA C 84 60.040 59.080 0.960 1
1 478 . 16 1 1 A 84 84 GLU CB C 84 28.640 29.533 -0.893 1
1 480 . 16 1 1 A 84 84 GLU N N 84 117.940 120.072 -2.132 1
1 481 . 16 1 1 A 85 85 SER H H 85 7.110 7.825 -0.715 1
1 482 . 16 1 1 A 85 85 SER HA H 85 4.130 3.954 0.176 1
1 485 . 16 1 1 A 85 85 SER CA C 85 61.840 61.391 0.449 1
1 486 . 16 1 1 A 85 85 SER CB C 85 62.400 62.374 0.026 1
1 487 . 16 1 1 A 85 85 SER N N 85 115.500 116.133 -0.633 1
1 488 . 16 1 1 A 86 86 ALA H H 86 6.860 7.261 -0.401 1
1 489 . 16 1 1 A 86 86 ALA HA H 86 4.080 4.349 -0.269 1
1 493 . 16 1 1 A 86 86 ALA CA C 86 55.210 54.635 0.575 1
1 494 . 16 1 1 A 86 86 ALA CB C 86 18.070 18.433 -0.363 1
1 495 . 16 1 1 A 86 86 ALA N N 86 122.760 123.231 -0.471 1
1 496 . 16 1 1 A 87 87 ASP H H 87 7.680 7.696 -0.016 1
1 497 . 16 1 1 A 87 87 ASP HA H 87 4.390 4.458 -0.068 1
1 500 . 16 1 1 A 87 87 ASP CA C 87 57.470 56.924 0.546 1
1 501 . 16 1 1 A 87 87 ASP CB C 87 40.850 40.718 0.132 1
1 502 . 16 1 1 A 87 87 ASP N N 87 115.980 118.681 -2.701 1
1 503 . 16 1 1 A 88 88 GLN H H 88 7.670 8.015 -0.345 1
1 504 . 16 1 1 A 88 88 GLN HA H 88 4.040 4.049 -0.009 1
1 511 . 16 1 1 A 88 88 GLN CA C 88 58.500 58.859 -0.359 1
1 512 . 16 1 1 A 88 88 GLN CB C 88 28.270 28.920 -0.650 1
1 514 . 16 1 1 A 88 88 GLN N N 88 119.920 120.036 -0.116 1
1 516 . 16 1 1 A 89 89 ALA H H 89 7.950 7.569 0.381 1
1 517 . 16 1 1 A 89 89 ALA HA H 89 2.800 2.388 0.412 1
1 521 . 16 1 1 A 89 89 ALA CA C 89 54.930 54.357 0.573 1
1 522 . 16 1 1 A 89 89 ALA CB C 89 19.340 18.086 1.254 1
1 523 . 16 1 1 A 89 89 ALA N N 89 121.330 121.622 -0.292 1
1 524 . 16 1 1 A 90 90 VAL H H 90 8.030 7.984 0.046 1
1 525 . 16 1 1 A 90 90 VAL HA H 90 3.370 3.598 -0.228 1
1 533 . 16 1 1 A 90 90 VAL CA C 90 67.090 66.377 0.713 1
1 534 . 16 1 1 A 90 90 VAL CB C 90 32.180 31.549 0.631 1
1 537 . 16 1 1 A 90 90 VAL N N 90 116.630 118.521 -1.891 1
1 538 . 16 1 1 A 91 91 ALA H H 91 7.350 7.665 -0.315 1
1 539 . 16 1 1 A 91 91 ALA HA H 91 4.130 4.121 0.009 1
1 543 . 16 1 1 A 91 91 ALA CA C 91 54.810 55.162 -0.352 1
1 544 . 16 1 1 A 91 91 ALA CB C 91 18.330 18.570 -0.240 1
1 545 . 16 1 1 A 91 91 ALA N N 91 119.620 121.825 -2.205 1
1 546 . 16 1 1 A 92 92 GLU H H 92 7.960 8.152 -0.192 1
1 547 . 16 1 1 A 92 92 GLU HA H 92 4.360 4.061 0.299 1
1 552 . 16 1 1 A 92 92 GLU CA C 92 57.930 59.628 -1.698 1
1 553 . 16 1 1 A 92 92 GLU CB C 92 30.980 30.696 0.284 1
1 555 . 16 1 1 A 92 92 GLU N N 92 113.770 118.260 -4.490 1
1 556 . 16 1 1 A 93 93 LEU H H 93 8.310 8.341 -0.031 1
1 557 . 16 1 1 A 93 93 LEU HA H 93 4.620 4.141 0.479 1
1 567 . 16 1 1 A 93 93 LEU CA C 93 55.810 57.066 -1.256 1
1 568 . 16 1 1 A 93 93 LEU CB C 93 44.130 41.986 2.144 1
1 572 . 16 1 1 A 93 93 LEU N N 93 114.550 119.467 -4.917 1
1 573 . 16 1 1 A 94 94 ASN H H 94 7.910 7.712 0.198 1
1 574 . 16 1 1 A 94 94 ASN HA H 94 4.430 4.366 0.064 1
1 577 . 16 1 1 A 94 94 ASN CA C 94 56.690 54.852 1.838 1
1 578 . 16 1 1 A 94 94 ASN N N 94 116.840 117.571 -0.731 1
1 580 . 16 1 1 A 95 95 GLY H H 95 8.890 8.847 0.043 1
1 581 . 16 1 1 A 95 95 GLY HA2 H 95 3.960 3.967 -0.007 1
1 582 . 16 1 1 A 95 95 GLY HA3 H 95 4.290 3.970 0.320 1
1 583 . 16 1 1 A 95 95 GLY CA C 95 46.090 45.673 0.417 1
1 584 . 16 1 1 A 95 95 GLY N N 95 116.350 113.747 2.603 1
1 585 . 16 1 1 A 96 96 THR H H 96 7.860 7.633 0.227 1
1 586 . 16 1 1 A 96 96 THR HA H 96 4.660 5.022 -0.362 1
1 591 . 16 1 1 A 96 96 THR CA C 96 60.880 59.331 1.549 1
1 592 . 16 1 1 A 96 96 THR CB C 96 71.090 72.223 -1.133 1
1 594 . 16 1 1 A 96 96 THR N N 96 113.920 110.593 3.327 1
1 595 . 16 1 1 A 97 97 GLN H H 97 8.360 8.868 -0.508 1
1 596 . 16 1 1 A 97 97 GLN HA H 97 5.210 5.114 0.096 1
1 602 . 16 1 1 A 97 97 GLN CA C 97 54.170 54.154 0.016 1
1 603 . 16 1 1 A 97 97 GLN CB C 97 30.470 32.336 -1.866 1
1 605 . 16 1 1 A 97 97 GLN N N 97 119.550 121.587 -2.037 1
1 607 . 16 1 1 A 98 98 VAL H H 98 8.900 9.719 -0.819 1
1 608 . 16 1 1 A 98 98 VAL HA H 98 4.200 4.406 -0.206 1
1 616 . 16 1 1 A 98 98 VAL CA C 98 61.350 61.365 -0.015 1
1 617 . 16 1 1 A 98 98 VAL CB C 98 33.600 32.399 1.201 1
1 620 . 16 1 1 A 98 98 VAL N N 98 127.260 126.124 1.136 1
1 621 . 16 1 1 A 99 99 GLU H H 99 9.160 8.542 0.618 1
1 622 . 16 1 1 A 99 99 GLU HA H 99 3.820 4.081 -0.261 1
1 625 . 16 1 1 A 99 99 GLU CA C 99 57.950 59.242 -1.292 1
1 626 . 16 1 1 A 99 99 GLU CB C 99 27.110 30.035 -2.925 1
1 628 . 16 1 1 A 99 99 GLU N N 99 124.200 123.516 0.684 1
1 629 . 16 1 1 A 100 100 SER H H 100 8.330 7.920 0.410 1
1 630 . 16 1 1 A 100 100 SER HA H 100 4.280 4.636 -0.356 1
1 633 . 16 1 1 A 100 100 SER CA C 100 59.780 57.648 2.132 1
1 634 . 16 1 1 A 100 100 SER CB C 100 63.300 64.632 -1.332 1
1 635 . 16 1 1 A 100 100 SER N N 100 111.660 111.850 -0.190 1
1 636 . 16 1 1 A 101 101 VAL H H 101 8.410 7.597 0.813 1
1 637 . 16 1 1 A 101 101 VAL HA H 101 4.210 4.839 -0.629 1
1 645 . 16 1 1 A 101 101 VAL CA C 101 62.080 60.501 1.579 1
1 646 . 16 1 1 A 101 101 VAL CB C 101 33.200 36.246 -3.046 1
1 649 . 16 1 1 A 101 101 VAL N N 101 124.550 120.312 4.238 1
1 650 . 16 1 1 A 102 102 GLN H H 102 8.510 8.892 -0.382 1
1 651 . 16 1 1 A 102 102 GLN HA H 102 4.590 5.161 -0.571 1
1 658 . 16 1 1 A 102 102 GLN CA C 102 55.090 54.409 0.681 1
1 659 . 16 1 1 A 102 102 GLN CB C 102 28.620 31.244 -2.624 1
1 661 . 16 1 1 A 102 102 GLN N N 102 127.320 126.667 0.653 1
1 663 . 16 1 1 A 103 103 LEU H H 103 8.710 8.966 -0.256 1
1 664 . 16 1 1 A 103 103 LEU HA H 103 5.050 5.154 -0.104 1
1 674 . 16 1 1 A 103 103 LEU CA C 103 54.740 53.200 1.540 1
1 675 . 16 1 1 A 103 103 LEU CB C 103 44.820 45.077 -0.257 1
1 679 . 16 1 1 A 103 103 LEU N N 103 126.610 126.683 -0.073 1
1 680 . 16 1 1 A 104 104 LYS H H 104 8.690 8.685 0.005 1
1 681 . 16 1 1 A 104 104 LYS HA H 104 5.030 5.081 -0.051 1
1 688 . 16 1 1 A 104 104 LYS CA C 104 55.480 54.972 0.508 1
1 689 . 16 1 1 A 104 104 LYS CB C 104 34.520 35.077 -0.557 1
1 693 . 16 1 1 A 104 104 LYS N N 104 124.080 121.844 2.236 1
1 694 . 16 1 1 A 105 105 VAL H H 105 9.050 9.034 0.016 1
1 695 . 16 1 1 A 105 105 VAL HA H 105 5.190 5.098 0.092 1
1 703 . 16 1 1 A 105 105 VAL CA C 105 60.840 60.847 -0.007 1
1 704 . 16 1 1 A 105 105 VAL CB C 105 35.660 34.082 1.578 1
1 707 . 16 1 1 A 105 105 VAL N N 105 123.920 125.124 -1.204 1
1 708 . 16 1 1 A 106 106 ASN H H 106 9.300 8.709 0.591 1
1 709 . 16 1 1 A 106 106 ASN HA H 106 5.220 5.244 -0.024 1
1 714 . 16 1 1 A 106 106 ASN CA C 106 51.630 51.943 -0.313 1
1 715 . 16 1 1 A 106 106 ASN CB C 106 43.840 42.718 1.122 1
1 716 . 16 1 1 A 106 106 ASN N N 106 122.780 121.933 0.847 1
1 718 . 16 1 1 A 107 107 ILE H H 107 9.050 8.756 0.294 1
1 719 . 16 1 1 A 107 107 ILE HA H 107 4.160 4.876 -0.716 1
1 729 . 16 1 1 A 107 107 ILE CA C 107 61.670 60.224 1.446 1
1 730 . 16 1 1 A 107 107 ILE CB C 107 36.140 39.380 -3.240 1
1 733 . 16 1 1 A 107 107 ILE N N 107 122.980 120.909 2.071 1
1 734 . 16 1 1 A 108 108 ALA H H 108 8.740 8.804 -0.064 1
1 735 . 16 1 1 A 108 108 ALA HA H 108 4.780 4.789 -0.009 1
1 739 . 16 1 1 A 108 108 ALA CA C 108 52.620 50.766 1.854 1
1 740 . 16 1 1 A 108 108 ALA CB C 108 19.570 21.684 -2.114 1
1 741 . 16 1 1 A 108 108 ALA N N 108 131.610 131.213 0.397 1
1 742 . 16 1 1 A 109 109 ARG HA H 109 4.390 4.259 0.131 1
1 746 . 16 1 1 A 109 109 ARG CA C 109 56.120 57.529 -1.409 1
1 747 . 16 1 1 A 109 109 ARG CB C 109 31.010 30.868 0.142 1
1 749 . 16 1 1 A 111 111 GLN HA H 111 4.630 4.361 0.269 1
1 754 . 16 1 1 A 111 111 GLN CA C 111 55.160 54.663 0.497 1
1 755 . 16 1 1 A 111 111 GLN CB C 111 32.900 28.875 4.025 1
1 757 . 16 1 1 A 112 112 PRO HA H 112 4.370 4.365 0.005 1
1 761 . 16 1 1 A 112 112 PRO CA C 112 64.090 64.758 -0.668 1
1 762 . 16 1 1 A 112 112 PRO CB C 112 32.650 32.090 0.560 1
1 767 . 16 1 1 A 114 114 LEU H H 114 7.710 7.457 0.253 1
1 768 . 16 1 1 A 114 114 LEU HA H 114 4.440 4.582 -0.142 1
1 777 . 16 1 1 A 114 114 LEU CB C 114 42.640 43.376 -0.736 1
1 780 . 16 1 1 A 114 114 LEU N N 114 123.050 119.265 3.785 1
1 781 . 16 1 1 A 115 115 ASP H H 115 8.440 8.318 0.122 1
1 782 . 16 1 1 A 115 115 ASP HA H 115 4.610 4.272 0.338 1
1 785 . 16 1 1 A 115 115 ASP CA C 115 54.620 55.587 -0.967 1
1 786 . 16 1 1 A 115 115 ASP CB C 115 40.720 39.145 1.575 1
1 787 . 16 1 1 A 115 115 ASP N N 115 119.520 116.071 3.449 1
1 788 . 16 1 1 A 116 116 ALA H H 116 8.060 8.206 -0.146 1
1 789 . 16 1 1 A 116 116 ALA HA H 116 4.320 3.917 0.403 1
1 793 . 16 1 1 A 116 116 ALA CA C 116 53.080 54.529 -1.449 1
1 794 . 16 1 1 A 116 116 ALA CB C 116 19.000 18.082 0.918 1
1 795 . 16 1 1 A 116 116 ALA N N 116 123.460 113.825 9.635 1
1 796 . 16 1 1 A 117 117 ALA H H 117 8.110 8.161 -0.051 1
1 797 . 16 1 1 A 117 117 ALA HA H 117 4.640 4.534 0.106 1
1 801 . 16 1 1 A 117 117 ALA CA C 117 52.600 51.603 0.997 1
1 802 . 16 1 1 A 117 117 ALA CB C 117 19.360 19.628 -0.268 1
1 803 . 16 1 1 A 117 117 ALA N N 117 121.130 118.722 2.408 1
1 804 . 16 1 1 A 118 118 THR H H 118 8.060 7.277 0.783 1
1 805 . 16 1 1 A 118 118 THR HA H 118 4.430 4.961 -0.531 1
1 810 . 16 1 1 A 118 118 THR CA C 118 62.130 59.836 2.294 1
1 811 . 16 1 1 A 118 118 THR CB C 118 69.840 71.270 -1.430 1
1 813 . 16 1 1 A 118 118 THR N N 118 112.100 109.143 2.957 1
1 814 . 16 1 1 A 119 119 GLY H H 119 8.430 8.465 -0.035 1
1 815 . 16 1 1 A 119 119 GLY N N 119 111.230 109.522 1.708 1
1 816 . 16 1 1 A 120 120 LYS H H 120 8.200 8.704 -0.504 1
1 817 . 16 1 1 A 120 120 LYS HA H 120 4.510 4.079 0.431 1
1 821 . 16 1 1 A 120 120 LYS CA C 120 56.110 58.356 -2.246 1
1 822 . 16 1 1 A 120 120 LYS CB C 120 33.270 32.900 0.370 1
1 823 . 16 1 1 A 120 120 LYS N N 120 121.180 121.741 -0.561 1
1 17 . 17 1 1 A 37 37 ARG H H 37 8.370 7.684 0.686 1
1 18 . 17 1 1 A 37 37 ARG N N 37 121.030 119.672 1.358 1
1 19 . 17 1 1 A 38 38 LYS H H 38 8.150 8.465 -0.315 1
1 20 . 17 1 1 A 38 38 LYS HA H 38 4.750 4.590 0.160 1
1 25 . 17 1 1 A 38 38 LYS CA C 38 54.190 55.586 -1.396 1
1 26 . 17 1 1 A 38 38 LYS CB C 38 35.040 33.756 1.284 1
1 27 . 17 1 1 A 38 38 LYS N N 38 119.860 122.073 -2.213 1
1 28 . 17 1 1 A 39 39 GLY H H 39 8.710 8.514 0.196 1
1 29 . 17 1 1 A 39 39 GLY HA3 H 39 4.050 4.366 -0.316 1
1 30 . 17 1 1 A 39 39 GLY CA C 39 45.460 46.095 -0.635 1
1 31 . 17 1 1 A 39 39 GLY N N 39 107.990 108.716 -0.726 1
1 32 . 17 1 1 A 40 40 ASN H H 40 8.300 8.353 -0.053 1
1 33 . 17 1 1 A 40 40 ASN HA H 40 4.850 5.307 -0.457 1
1 38 . 17 1 1 A 40 40 ASN CA C 40 54.110 53.186 0.924 1
1 39 . 17 1 1 A 40 40 ASN CB C 40 37.840 41.495 -3.655 1
1 40 . 17 1 1 A 40 40 ASN N N 40 115.650 118.392 -2.742 1
1 42 . 17 1 1 A 41 41 THR HA H 41 5.400 4.671 0.729 1
1 47 . 17 1 1 A 41 41 THR CA C 41 63.410 63.256 0.154 1
1 48 . 17 1 1 A 41 41 THR CB C 41 69.930 69.925 0.005 1
1 50 . 17 1 1 A 42 42 LEU H H 42 9.900 9.151 0.749 1
1 51 . 17 1 1 A 42 42 LEU HA H 42 5.090 5.215 -0.125 1
1 61 . 17 1 1 A 42 42 LEU CA C 42 53.260 53.389 -0.129 1
1 62 . 17 1 1 A 42 42 LEU CB C 42 43.590 45.601 -2.011 1
1 66 . 17 1 1 A 42 42 LEU N N 42 127.870 125.873 1.997 1
1 67 . 17 1 1 A 43 43 TYR H H 43 9.190 8.649 0.541 1
1 68 . 17 1 1 A 43 43 TYR HA H 43 4.420 5.330 -0.910 1
1 71 . 17 1 1 A 43 43 TYR CB C 43 40.310 41.715 -1.405 1
1 72 . 17 1 1 A 43 43 TYR N N 43 124.140 124.653 -0.513 1
1 73 . 17 1 1 A 44 44 VAL H H 44 7.980 8.367 -0.387 1
1 74 . 17 1 1 A 44 44 VAL HA H 44 4.810 4.862 -0.052 1
1 82 . 17 1 1 A 44 44 VAL CA C 44 59.320 60.983 -1.663 1
1 83 . 17 1 1 A 44 44 VAL CB C 44 34.360 33.991 0.369 1
1 86 . 17 1 1 A 44 44 VAL N N 44 127.360 127.806 -0.446 1
1 87 . 17 1 1 A 45 45 TYR H H 45 9.020 8.910 0.110 1
1 88 . 17 1 1 A 45 45 TYR HA H 45 4.980 5.220 -0.240 1
1 94 . 17 1 1 A 45 45 TYR CA C 45 55.680 55.679 0.001 1
1 95 . 17 1 1 A 45 45 TYR CB C 45 42.210 42.052 0.158 1
1 96 . 17 1 1 A 45 45 TYR N N 45 126.390 128.450 -2.060 1
1 97 . 17 1 1 A 46 46 GLY H H 46 7.510 7.260 0.250 1
1 98 . 17 1 1 A 46 46 GLY HA2 H 46 3.830 3.996 -0.166 1
1 99 . 17 1 1 A 46 46 GLY HA3 H 46 3.830 3.996 -0.166 1
1 100 . 17 1 1 A 46 46 GLY CA C 46 45.360 45.759 -0.399 1
1 101 . 17 1 1 A 46 46 GLY N N 46 114.220 111.059 3.161 1
1 102 . 17 1 1 A 47 47 GLU H H 47 8.750 8.681 0.069 1
1 103 . 17 1 1 A 47 47 GLU HA H 47 3.990 4.565 -0.575 1
1 108 . 17 1 1 A 47 47 GLU CA C 47 56.720 54.918 1.802 1
1 109 . 17 1 1 A 47 47 GLU CB C 47 30.460 32.495 -2.035 1
1 111 . 17 1 1 A 47 47 GLU N N 47 123.880 119.428 4.452 1
1 112 . 17 1 1 A 48 48 ASP H H 48 8.540 8.618 -0.078 1
1 113 . 17 1 1 A 48 48 ASP HA H 48 4.250 4.059 0.191 1
1 116 . 17 1 1 A 48 48 ASP CA C 48 55.210 55.121 0.089 1
1 117 . 17 1 1 A 48 48 ASP CB C 48 39.150 39.480 -0.330 1
1 118 . 17 1 1 A 48 48 ASP N N 48 117.200 117.919 -0.719 1
1 119 . 17 1 1 A 49 49 MET H H 49 8.190 7.872 0.318 1
1 120 . 17 1 1 A 49 49 MET HA H 49 4.120 4.926 -0.806 1
1 126 . 17 1 1 A 49 49 MET CA C 49 57.510 54.076 3.434 1
1 127 . 17 1 1 A 49 49 MET CB C 49 34.620 34.062 0.558 1
1 129 . 17 1 1 A 49 49 MET N N 49 114.560 117.615 -3.055 1
1 130 . 17 1 1 A 50 50 THR H H 50 6.510 8.655 -2.145 1
1 131 . 17 1 1 A 50 50 THR HA H 50 5.020 4.958 0.062 1
1 136 . 17 1 1 A 50 50 THR CA C 50 57.960 58.569 -0.609 1
1 137 . 17 1 1 A 50 50 THR CB C 50 70.150 70.053 0.097 1
1 139 . 17 1 1 A 50 50 THR N N 50 108.060 114.295 -6.235 1
1 140 . 17 1 1 A 51 51 PRO HA H 51 4.340 4.238 0.102 1
1 146 . 17 1 1 A 51 51 PRO CA C 51 65.790 65.530 0.260 1
1 147 . 17 1 1 A 51 51 PRO CB C 51 31.780 31.925 -0.145 1
1 150 . 17 1 1 A 52 52 THR H H 52 7.640 7.788 -0.148 1
1 151 . 17 1 1 A 52 52 THR HA H 52 3.980 4.023 -0.043 1
1 156 . 17 1 1 A 52 52 THR CA C 52 66.160 65.593 0.567 1
1 157 . 17 1 1 A 52 52 THR CB C 52 68.430 68.543 -0.113 1
1 159 . 17 1 1 A 52 52 THR N N 52 111.520 112.065 -0.545 1
1 160 . 17 1 1 A 53 53 LEU H H 53 7.810 8.076 -0.266 1
1 161 . 17 1 1 A 53 53 LEU HA H 53 4.130 4.046 0.084 1
1 171 . 17 1 1 A 53 53 LEU CA C 53 58.360 58.403 -0.043 1
1 172 . 17 1 1 A 53 53 LEU CB C 53 42.970 41.635 1.335 1
1 176 . 17 1 1 A 53 53 LEU N N 53 125.410 121.618 3.792 1
1 177 . 17 1 1 A 54 54 LEU H H 54 7.840 8.068 -0.228 1
1 178 . 17 1 1 A 54 54 LEU HA H 54 4.260 4.007 0.253 1
1 188 . 17 1 1 A 54 54 LEU CA C 54 57.580 58.386 -0.806 1
1 189 . 17 1 1 A 54 54 LEU CB C 54 42.330 41.644 0.686 1
1 193 . 17 1 1 A 54 54 LEU N N 54 117.150 118.999 -1.849 1
1 194 . 17 1 1 A 55 55 ARG H H 55 9.020 8.582 0.438 1
1 195 . 17 1 1 A 55 55 ARG HA H 55 3.880 4.088 -0.208 1
1 202 . 17 1 1 A 55 55 ARG CA C 55 60.890 59.208 1.682 1
1 203 . 17 1 1 A 55 55 ARG CB C 55 29.580 29.751 -0.171 1
1 206 . 17 1 1 A 55 55 ARG N N 55 120.050 117.419 2.631 1
1 207 . 17 1 1 A 56 56 GLY H H 56 8.180 8.182 -0.002 1
1 208 . 17 1 1 A 56 56 GLY HA2 H 56 3.940 3.928 0.012 1
1 209 . 17 1 1 A 56 56 GLY HA3 H 56 4.100 3.943 0.157 1
1 210 . 17 1 1 A 56 56 GLY CA C 56 47.210 47.174 0.036 1
1 211 . 17 1 1 A 56 56 GLY N N 56 106.700 108.151 -1.451 1
1 212 . 17 1 1 A 57 57 ALA H H 57 7.830 7.969 -0.139 1
1 213 . 17 1 1 A 57 57 ALA HA H 57 4.360 4.084 0.276 1
1 217 . 17 1 1 A 57 57 ALA CA C 57 53.590 54.279 -0.689 1
1 218 . 17 1 1 A 57 57 ALA CB C 57 19.050 18.337 0.713 1
1 219 . 17 1 1 A 57 57 ALA N N 57 120.270 124.720 -4.450 1
1 220 . 17 1 1 A 58 58 PHE H H 58 8.600 8.410 0.190 1
1 221 . 17 1 1 A 58 58 PHE HA H 58 4.790 5.647 -0.857 1
1 227 . 17 1 1 A 58 58 PHE CA C 58 60.210 57.694 2.516 1
1 228 . 17 1 1 A 58 58 PHE CB C 58 38.390 39.619 -1.229 1
1 229 . 17 1 1 A 58 58 PHE N N 58 110.250 116.901 -6.651 1
1 230 . 17 1 1 A 59 59 SER H H 59 8.610 8.011 0.599 1
1 231 . 17 1 1 A 59 59 SER HA H 59 4.810 4.438 0.372 1
1 234 . 17 1 1 A 59 59 SER CA C 59 63.540 62.949 0.591 1
1 235 . 17 1 1 A 59 59 SER CB C 59 62.910 62.590 0.320 1
1 236 . 17 1 1 A 59 59 SER N N 59 122.860 116.561 6.299 1
1 237 . 17 1 1 A 60 60 PRO HA H 60 4.280 4.323 -0.043 1
1 244 . 17 1 1 A 60 60 PRO CA C 60 65.680 65.588 0.092 1
1 245 . 17 1 1 A 60 60 PRO CB C 60 31.420 30.715 0.705 1
1 248 . 17 1 1 A 61 61 PHE H H 61 6.850 8.626 -1.776 1
1 249 . 17 1 1 A 61 61 PHE HA H 61 4.510 4.238 0.272 1
1 257 . 17 1 1 A 61 61 PHE CA C 61 58.310 60.773 -2.463 1
1 258 . 17 1 1 A 61 61 PHE CB C 61 38.920 38.970 -0.050 1
1 259 . 17 1 1 A 61 61 PHE N N 61 109.700 116.772 -7.072 1
1 260 . 17 1 1 A 62 62 GLY H H 62 7.800 7.434 0.366 1
1 261 . 17 1 1 A 62 62 GLY HA2 H 62 4.090 3.917 0.173 1
1 262 . 17 1 1 A 62 62 GLY HA3 H 62 4.290 4.085 0.205 1
1 263 . 17 1 1 A 62 62 GLY CA C 62 45.290 45.604 -0.314 1
1 264 . 17 1 1 A 62 62 GLY N N 62 106.520 104.183 2.337 1
1 265 . 17 1 1 A 63 63 ASN H H 63 8.520 8.561 -0.041 1
1 266 . 17 1 1 A 63 63 ASN HA H 63 4.920 5.283 -0.363 1
1 271 . 17 1 1 A 63 63 ASN CA C 63 52.930 52.938 -0.008 1
1 272 . 17 1 1 A 63 63 ASN CB C 63 38.630 40.244 -1.614 1
1 273 . 17 1 1 A 63 63 ASN N N 63 117.020 118.485 -1.465 1
1 275 . 17 1 1 A 64 64 ILE H H 64 8.750 9.055 -0.305 1
1 276 . 17 1 1 A 64 64 ILE HA H 64 4.100 4.504 -0.404 1
1 286 . 17 1 1 A 64 64 ILE CA C 64 61.940 61.106 0.834 1
1 287 . 17 1 1 A 64 64 ILE CB C 64 38.780 38.459 0.321 1
1 291 . 17 1 1 A 64 64 ILE N N 64 127.930 125.741 2.189 1
1 292 . 17 1 1 A 65 65 ILE H H 65 8.910 9.072 -0.162 1
1 293 . 17 1 1 A 65 65 ILE HA H 65 4.490 4.396 0.094 1
1 303 . 17 1 1 A 65 65 ILE CA C 65 61.310 61.433 -0.123 1
1 304 . 17 1 1 A 65 65 ILE CB C 65 38.470 38.953 -0.483 1
1 308 . 17 1 1 A 65 65 ILE N N 65 124.530 121.835 2.695 1
1 309 . 17 1 1 A 66 66 ASP H H 66 7.520 7.420 0.100 1
1 310 . 17 1 1 A 66 66 ASP HA H 66 4.700 5.109 -0.409 1
1 313 . 17 1 1 A 66 66 ASP CA C 66 55.520 53.217 2.303 1
1 314 . 17 1 1 A 66 66 ASP CB C 66 45.290 44.293 0.997 1
1 315 . 17 1 1 A 66 66 ASP N N 66 119.140 121.560 -2.420 1
1 316 . 17 1 1 A 67 67 LEU H H 67 8.230 9.034 -0.804 1
1 317 . 17 1 1 A 67 67 LEU HA H 67 4.980 5.016 -0.036 1
1 326 . 17 1 1 A 67 67 LEU CA C 67 54.980 53.587 1.393 1
1 327 . 17 1 1 A 67 67 LEU CB C 67 44.440 44.600 -0.160 1
1 330 . 17 1 1 A 67 67 LEU N N 67 127.890 128.581 -0.691 1
1 331 . 17 1 1 A 68 68 SER H H 68 8.810 9.142 -0.332 1
1 332 . 17 1 1 A 68 68 SER HA H 68 4.970 5.409 -0.439 1
1 335 . 17 1 1 A 68 68 SER CA C 68 57.170 57.150 0.020 1
1 336 . 17 1 1 A 68 68 SER CB C 68 65.320 66.130 -0.810 1
1 337 . 17 1 1 A 68 68 SER N N 68 122.560 124.338 -1.778 1
1 338 . 17 1 1 A 69 69 MET H H 69 9.050 8.907 0.143 1
1 339 . 17 1 1 A 69 69 MET HA H 69 4.740 5.224 -0.484 1
1 345 . 17 1 1 A 69 69 MET CA C 69 54.520 54.062 0.458 1
1 348 . 17 1 1 A 69 69 MET N N 69 122.420 123.214 -0.794 1
1 349 . 17 1 1 A 70 70 ASP H H 70 8.620 8.361 0.259 1
1 350 . 17 1 1 A 70 70 ASP HA H 70 5.140 5.241 -0.101 1
1 353 . 17 1 1 A 70 70 ASP CA C 70 51.410 51.064 0.346 1
1 354 . 17 1 1 A 70 70 ASP CB C 70 40.930 42.295 -1.365 1
1 355 . 17 1 1 A 70 70 ASP N N 70 120.620 122.381 -1.761 1
1 356 . 17 1 1 A 71 71 PRO HA H 71 4.760 4.365 0.395 1
1 359 . 17 1 1 A 71 71 PRO CA C 71 66.380 64.382 1.998 1
1 361 . 17 1 1 A 72 72 PRO HA H 72 4.520 4.387 0.133 1
1 368 . 17 1 1 A 72 72 PRO CA C 72 65.750 65.087 0.663 1
1 369 . 17 1 1 A 72 72 PRO CB C 72 31.570 31.426 0.144 1
1 371 . 17 1 1 A 73 73 ARG H H 73 7.360 7.530 -0.170 1
1 372 . 17 1 1 A 73 73 ARG HA H 73 4.570 4.528 0.042 1
1 378 . 17 1 1 A 73 73 ARG CA C 73 55.160 55.213 -0.053 1
1 379 . 17 1 1 A 73 73 ARG CB C 73 29.000 31.180 -2.180 1
1 382 . 17 1 1 A 73 73 ARG N N 73 114.560 116.420 -1.860 1
1 383 . 17 1 1 A 74 74 ASN H H 74 8.440 7.947 0.493 1
1 384 . 17 1 1 A 74 74 ASN HA H 74 4.270 4.142 0.128 1
1 389 . 17 1 1 A 74 74 ASN CA C 74 53.830 54.495 -0.665 1
1 390 . 17 1 1 A 74 74 ASN CB C 74 37.500 36.443 1.057 1
1 391 . 17 1 1 A 74 74 ASN N N 74 115.460 115.153 0.307 1
1 393 . 17 1 1 A 75 75 CYS H H 75 7.270 7.432 -0.162 1
1 394 . 17 1 1 A 75 75 CYS HA H 75 5.730 5.006 0.724 1
1 396 . 17 1 1 A 75 75 CYS CA C 75 55.420 56.920 -1.500 1
1 397 . 17 1 1 A 75 75 CYS CB C 75 32.640 30.885 1.755 1
1 398 . 17 1 1 A 75 75 CYS N N 75 127.180 113.181 13.999 1
1 399 . 17 1 1 A 76 76 ALA H H 76 8.590 8.454 0.136 1
1 403 . 17 1 1 A 76 76 ALA CB C 76 24.400 22.545 1.855 1
1 404 . 17 1 1 A 76 76 ALA N N 76 122.120 124.338 -2.218 1
1 405 . 17 1 1 A 77 77 PHE H H 77 8.780 8.881 -0.101 1
1 406 . 17 1 1 A 77 77 PHE HA H 77 5.620 5.379 0.241 1
1 407 . 17 1 1 A 77 77 PHE CA C 77 55.850 56.575 -0.725 1
1 408 . 17 1 1 A 77 77 PHE N N 77 115.390 118.224 -2.834 1
1 409 . 17 1 1 A 78 78 VAL H H 78 8.580 8.755 -0.175 1
1 410 . 17 1 1 A 78 78 VAL HA H 78 4.300 4.601 -0.301 1
1 418 . 17 1 1 A 78 78 VAL CA C 78 60.960 60.711 0.249 1
1 419 . 17 1 1 A 78 78 VAL CB C 78 34.360 34.002 0.358 1
1 422 . 17 1 1 A 78 78 VAL N N 78 126.440 122.475 3.965 1
1 423 . 17 1 1 A 79 79 THR H H 79 8.960 8.809 0.151 1
1 424 . 17 1 1 A 79 79 THR HA H 79 5.330 5.304 0.026 1
1 429 . 17 1 1 A 79 79 THR CA C 79 61.940 61.766 0.174 1
1 430 . 17 1 1 A 79 79 THR CB C 79 69.910 70.043 -0.133 1
1 432 . 17 1 1 A 79 79 THR N N 79 123.990 123.573 0.417 1
1 433 . 17 1 1 A 80 80 TYR H H 80 8.880 9.643 -0.763 1
1 434 . 17 1 1 A 80 80 TYR HA H 80 5.400 4.902 0.498 1
1 437 . 17 1 1 A 80 80 TYR CA C 80 57.660 57.962 -0.302 1
1 438 . 17 1 1 A 80 80 TYR CB C 80 42.220 39.939 2.281 1
1 439 . 17 1 1 A 80 80 TYR N N 80 126.670 126.151 0.519 1
1 440 . 17 1 1 A 81 81 GLU H H 81 8.490 9.326 -0.836 1
1 441 . 17 1 1 A 81 81 GLU HA H 81 4.110 4.373 -0.263 1
1 446 . 17 1 1 A 81 81 GLU CA C 81 59.290 57.757 1.533 1
1 447 . 17 1 1 A 81 81 GLU CB C 81 31.210 31.223 -0.013 1
1 449 . 17 1 1 A 81 81 GLU N N 81 119.690 121.596 -1.906 1
1 450 . 17 1 1 A 82 82 LYS H H 82 8.460 7.569 0.891 1
1 451 . 17 1 1 A 82 82 LYS HA H 82 5.020 4.674 0.346 1
1 457 . 17 1 1 A 82 82 LYS CA C 82 54.140 54.565 -0.425 1
1 458 . 17 1 1 A 82 82 LYS CB C 82 34.420 35.472 -1.052 1
1 462 . 17 1 1 A 82 82 LYS N N 82 113.920 117.809 -3.889 1
1 463 . 17 1 1 A 83 83 MET H H 83 9.100 9.024 0.076 1
1 464 . 17 1 1 A 83 83 MET HA H 83 4.070 4.224 -0.154 1
1 468 . 17 1 1 A 83 83 MET CA C 83 59.570 57.992 1.578 1
1 469 . 17 1 1 A 83 83 MET CB C 83 32.420 32.026 0.394 1
1 471 . 17 1 1 A 83 83 MET N N 83 122.530 123.781 -1.251 1
1 472 . 17 1 1 A 84 84 GLU H H 84 9.690 7.896 1.794 1
1 473 . 17 1 1 A 84 84 GLU HA H 84 4.240 4.062 0.178 1
1 477 . 17 1 1 A 84 84 GLU CA C 84 60.040 59.006 1.034 1
1 478 . 17 1 1 A 84 84 GLU CB C 84 28.640 29.616 -0.976 1
1 480 . 17 1 1 A 84 84 GLU N N 84 117.940 121.954 -4.014 1
1 481 . 17 1 1 A 85 85 SER H H 85 7.110 8.254 -1.144 1
1 482 . 17 1 1 A 85 85 SER HA H 85 4.130 4.030 0.100 1
1 485 . 17 1 1 A 85 85 SER CA C 85 61.840 61.292 0.548 1
1 486 . 17 1 1 A 85 85 SER CB C 85 62.400 62.812 -0.412 1
1 487 . 17 1 1 A 85 85 SER N N 85 115.500 116.564 -1.064 1
1 488 . 17 1 1 A 86 86 ALA H H 86 6.860 7.797 -0.937 1
1 489 . 17 1 1 A 86 86 ALA HA H 86 4.080 4.220 -0.140 1
1 493 . 17 1 1 A 86 86 ALA CA C 86 55.210 55.356 -0.146 1
1 494 . 17 1 1 A 86 86 ALA CB C 86 18.070 18.225 -0.155 1
1 495 . 17 1 1 A 86 86 ALA N N 86 122.760 123.355 -0.595 1
1 496 . 17 1 1 A 87 87 ASP H H 87 7.680 8.208 -0.528 1
1 497 . 17 1 1 A 87 87 ASP HA H 87 4.390 4.429 -0.039 1
1 500 . 17 1 1 A 87 87 ASP CA C 87 57.470 57.514 -0.044 1
1 501 . 17 1 1 A 87 87 ASP CB C 87 40.850 42.512 -1.662 1
1 502 . 17 1 1 A 87 87 ASP N N 87 115.980 118.458 -2.478 1
1 503 . 17 1 1 A 88 88 GLN H H 88 7.670 7.809 -0.139 1
1 504 . 17 1 1 A 88 88 GLN HA H 88 4.040 4.117 -0.077 1
1 511 . 17 1 1 A 88 88 GLN CA C 88 58.500 58.807 -0.307 1
1 512 . 17 1 1 A 88 88 GLN CB C 88 28.270 28.765 -0.495 1
1 514 . 17 1 1 A 88 88 GLN N N 88 119.920 119.370 0.550 1
1 516 . 17 1 1 A 89 89 ALA H H 89 7.950 7.647 0.303 1
1 517 . 17 1 1 A 89 89 ALA HA H 89 2.800 2.039 0.761 1
1 521 . 17 1 1 A 89 89 ALA CA C 89 54.930 54.208 0.722 1
1 522 . 17 1 1 A 89 89 ALA CB C 89 19.340 17.808 1.532 1
1 523 . 17 1 1 A 89 89 ALA N N 89 121.330 121.708 -0.378 1
1 524 . 17 1 1 A 90 90 VAL H H 90 8.030 8.958 -0.928 1
1 525 . 17 1 1 A 90 90 VAL HA H 90 3.370 3.536 -0.166 1
1 533 . 17 1 1 A 90 90 VAL CA C 90 67.090 66.680 0.410 1
1 534 . 17 1 1 A 90 90 VAL CB C 90 32.180 31.561 0.619 1
1 537 . 17 1 1 A 90 90 VAL N N 90 116.630 118.654 -2.024 1
1 538 . 17 1 1 A 91 91 ALA H H 91 7.350 7.924 -0.574 1
1 539 . 17 1 1 A 91 91 ALA HA H 91 4.130 4.070 0.060 1
1 543 . 17 1 1 A 91 91 ALA CA C 91 54.810 55.317 -0.507 1
1 544 . 17 1 1 A 91 91 ALA CB C 91 18.330 18.019 0.311 1
1 545 . 17 1 1 A 91 91 ALA N N 91 119.620 121.706 -2.086 1
1 546 . 17 1 1 A 92 92 GLU H H 92 7.960 7.833 0.127 1
1 547 . 17 1 1 A 92 92 GLU HA H 92 4.360 4.133 0.227 1
1 552 . 17 1 1 A 92 92 GLU CA C 92 57.930 58.736 -0.806 1
1 553 . 17 1 1 A 92 92 GLU CB C 92 30.980 29.584 1.396 1
1 555 . 17 1 1 A 92 92 GLU N N 92 113.770 118.941 -5.171 1
1 556 . 17 1 1 A 93 93 LEU H H 93 8.310 8.437 -0.127 1
1 557 . 17 1 1 A 93 93 LEU HA H 93 4.620 4.132 0.488 1
1 567 . 17 1 1 A 93 93 LEU CA C 93 55.810 57.108 -1.298 1
1 568 . 17 1 1 A 93 93 LEU CB C 93 44.130 41.984 2.146 1
1 572 . 17 1 1 A 93 93 LEU N N 93 114.550 118.612 -4.062 1
1 573 . 17 1 1 A 94 94 ASN H H 94 7.910 8.087 -0.177 1
1 574 . 17 1 1 A 94 94 ASN HA H 94 4.430 4.336 0.094 1
1 577 . 17 1 1 A 94 94 ASN CA C 94 56.690 54.959 1.731 1
1 578 . 17 1 1 A 94 94 ASN N N 94 116.840 117.787 -0.947 1
1 580 . 17 1 1 A 95 95 GLY H H 95 8.890 8.716 0.174 1
1 581 . 17 1 1 A 95 95 GLY HA2 H 95 3.960 3.894 0.066 1
1 582 . 17 1 1 A 95 95 GLY HA3 H 95 4.290 3.897 0.393 1
1 583 . 17 1 1 A 95 95 GLY CA C 95 46.090 46.212 -0.122 1
1 584 . 17 1 1 A 95 95 GLY N N 95 116.350 113.391 2.959 1
1 585 . 17 1 1 A 96 96 THR H H 96 7.860 7.708 0.152 1
1 586 . 17 1 1 A 96 96 THR HA H 96 4.660 4.971 -0.311 1
1 591 . 17 1 1 A 96 96 THR CA C 96 60.880 59.264 1.616 1
1 592 . 17 1 1 A 96 96 THR CB C 96 71.090 72.208 -1.118 1
1 594 . 17 1 1 A 96 96 THR N N 96 113.920 110.790 3.130 1
1 595 . 17 1 1 A 97 97 GLN H H 97 8.360 8.830 -0.470 1
1 596 . 17 1 1 A 97 97 GLN HA H 97 5.210 5.044 0.166 1
1 602 . 17 1 1 A 97 97 GLN CA C 97 54.170 54.049 0.121 1
1 603 . 17 1 1 A 97 97 GLN CB C 97 30.470 32.196 -1.726 1
1 605 . 17 1 1 A 97 97 GLN N N 97 119.550 121.651 -2.101 1
1 607 . 17 1 1 A 98 98 VAL H H 98 8.900 9.369 -0.469 1
1 608 . 17 1 1 A 98 98 VAL HA H 98 4.200 4.474 -0.274 1
1 616 . 17 1 1 A 98 98 VAL CA C 98 61.350 60.978 0.372 1
1 617 . 17 1 1 A 98 98 VAL CB C 98 33.600 32.469 1.131 1
1 620 . 17 1 1 A 98 98 VAL N N 98 127.260 125.805 1.455 1
1 621 . 17 1 1 A 99 99 GLU H H 99 9.160 8.638 0.522 1
1 622 . 17 1 1 A 99 99 GLU HA H 99 3.820 4.052 -0.232 1
1 625 . 17 1 1 A 99 99 GLU CA C 99 57.950 59.398 -1.448 1
1 626 . 17 1 1 A 99 99 GLU CB C 99 27.110 29.846 -2.736 1
1 628 . 17 1 1 A 99 99 GLU N N 99 124.200 123.520 0.680 1
1 629 . 17 1 1 A 100 100 SER H H 100 8.330 7.917 0.413 1
1 630 . 17 1 1 A 100 100 SER HA H 100 4.280 4.688 -0.408 1
1 633 . 17 1 1 A 100 100 SER CA C 100 59.780 57.549 2.231 1
1 634 . 17 1 1 A 100 100 SER CB C 100 63.300 64.402 -1.102 1
1 635 . 17 1 1 A 100 100 SER N N 100 111.660 113.607 -1.947 1
1 636 . 17 1 1 A 101 101 VAL H H 101 8.410 7.575 0.835 1
1 637 . 17 1 1 A 101 101 VAL HA H 101 4.210 4.771 -0.561 1
1 645 . 17 1 1 A 101 101 VAL CA C 101 62.080 59.855 2.225 1
1 646 . 17 1 1 A 101 101 VAL CB C 101 33.200 36.765 -3.565 1
1 649 . 17 1 1 A 101 101 VAL N N 101 124.550 121.331 3.219 1
1 650 . 17 1 1 A 102 102 GLN H H 102 8.510 8.781 -0.271 1
1 651 . 17 1 1 A 102 102 GLN HA H 102 4.590 5.075 -0.485 1
1 658 . 17 1 1 A 102 102 GLN CA C 102 55.090 54.357 0.733 1
1 659 . 17 1 1 A 102 102 GLN CB C 102 28.620 32.100 -3.480 1
1 661 . 17 1 1 A 102 102 GLN N N 102 127.320 122.433 4.887 1
1 663 . 17 1 1 A 103 103 LEU H H 103 8.710 8.618 0.092 1
1 664 . 17 1 1 A 103 103 LEU HA H 103 5.050 5.500 -0.450 1
1 674 . 17 1 1 A 103 103 LEU CA C 103 54.740 53.595 1.145 1
1 675 . 17 1 1 A 103 103 LEU CB C 103 44.820 45.276 -0.456 1
1 679 . 17 1 1 A 103 103 LEU N N 103 126.610 124.163 2.447 1
1 680 . 17 1 1 A 104 104 LYS H H 104 8.690 9.055 -0.365 1
1 681 . 17 1 1 A 104 104 LYS HA H 104 5.030 4.981 0.049 1
1 688 . 17 1 1 A 104 104 LYS CA C 104 55.480 55.040 0.440 1
1 689 . 17 1 1 A 104 104 LYS CB C 104 34.520 35.026 -0.506 1
1 693 . 17 1 1 A 104 104 LYS N N 104 124.080 123.695 0.385 1
1 694 . 17 1 1 A 105 105 VAL H H 105 9.050 8.895 0.155 1
1 695 . 17 1 1 A 105 105 VAL HA H 105 5.190 5.315 -0.125 1
1 703 . 17 1 1 A 105 105 VAL CA C 105 60.840 61.221 -0.381 1
1 704 . 17 1 1 A 105 105 VAL CB C 105 35.660 33.430 2.230 1
1 707 . 17 1 1 A 105 105 VAL N N 105 123.920 125.188 -1.268 1
1 708 . 17 1 1 A 106 106 ASN H H 106 9.300 9.433 -0.133 1
1 709 . 17 1 1 A 106 106 ASN HA H 106 5.220 5.369 -0.149 1
1 714 . 17 1 1 A 106 106 ASN CA C 106 51.630 51.499 0.131 1
1 715 . 17 1 1 A 106 106 ASN CB C 106 43.840 42.925 0.915 1
1 716 . 17 1 1 A 106 106 ASN N N 106 122.780 124.241 -1.461 1
1 718 . 17 1 1 A 107 107 ILE H H 107 9.050 8.763 0.287 1
1 719 . 17 1 1 A 107 107 ILE HA H 107 4.160 4.858 -0.698 1
1 729 . 17 1 1 A 107 107 ILE CA C 107 61.670 60.295 1.375 1
1 730 . 17 1 1 A 107 107 ILE CB C 107 36.140 39.346 -3.206 1
1 733 . 17 1 1 A 107 107 ILE N N 107 122.980 120.785 2.195 1
1 734 . 17 1 1 A 108 108 ALA H H 108 8.740 8.848 -0.108 1
1 735 . 17 1 1 A 108 108 ALA HA H 108 4.780 4.814 -0.034 1
1 739 . 17 1 1 A 108 108 ALA CA C 108 52.620 50.581 2.039 1
1 740 . 17 1 1 A 108 108 ALA CB C 108 19.570 21.877 -2.307 1
1 741 . 17 1 1 A 108 108 ALA N N 108 131.610 131.260 0.350 1
1 742 . 17 1 1 A 109 109 ARG HA H 109 4.390 4.280 0.110 1
1 746 . 17 1 1 A 109 109 ARG CA C 109 56.120 57.603 -1.483 1
1 747 . 17 1 1 A 109 109 ARG CB C 109 31.010 30.526 0.484 1
1 749 . 17 1 1 A 111 111 GLN HA H 111 4.630 4.706 -0.076 1
1 754 . 17 1 1 A 111 111 GLN CA C 111 55.160 53.986 1.174 1
1 755 . 17 1 1 A 111 111 GLN CB C 111 32.900 29.530 3.370 1
1 757 . 17 1 1 A 112 112 PRO HA H 112 4.370 4.398 -0.028 1
1 761 . 17 1 1 A 112 112 PRO CA C 112 64.090 64.654 -0.564 1
1 762 . 17 1 1 A 112 112 PRO CB C 112 32.650 32.016 0.634 1
1 767 . 17 1 1 A 114 114 LEU H H 114 7.710 7.354 0.356 1
1 768 . 17 1 1 A 114 114 LEU HA H 114 4.440 4.560 -0.120 1
1 777 . 17 1 1 A 114 114 LEU CB C 114 42.640 43.090 -0.450 1
1 780 . 17 1 1 A 114 114 LEU N N 114 123.050 119.240 3.810 1
1 781 . 17 1 1 A 115 115 ASP H H 115 8.440 8.506 -0.066 1
1 782 . 17 1 1 A 115 115 ASP HA H 115 4.610 4.457 0.153 1
1 785 . 17 1 1 A 115 115 ASP CA C 115 54.620 55.619 -0.999 1
1 786 . 17 1 1 A 115 115 ASP CB C 115 40.720 39.081 1.639 1
1 787 . 17 1 1 A 115 115 ASP N N 115 119.520 115.108 4.412 1
1 788 . 17 1 1 A 116 116 ALA H H 116 8.060 7.976 0.084 1
1 789 . 17 1 1 A 116 116 ALA HA H 116 4.320 3.941 0.379 1
1 793 . 17 1 1 A 116 116 ALA CA C 116 53.080 54.738 -1.658 1
1 794 . 17 1 1 A 116 116 ALA CB C 116 19.000 17.956 1.044 1
1 795 . 17 1 1 A 116 116 ALA N N 116 123.460 113.600 9.860 1
1 796 . 17 1 1 A 117 117 ALA H H 117 8.110 8.158 -0.048 1
1 797 . 17 1 1 A 117 117 ALA HA H 117 4.640 4.443 0.197 1
1 801 . 17 1 1 A 117 117 ALA CA C 117 52.600 53.061 -0.461 1
1 802 . 17 1 1 A 117 117 ALA CB C 117 19.360 21.361 -2.001 1
1 803 . 17 1 1 A 117 117 ALA N N 117 121.130 118.519 2.611 1
1 804 . 17 1 1 A 118 118 THR H H 118 8.060 7.980 0.080 1
1 805 . 17 1 1 A 118 118 THR HA H 118 4.430 4.917 -0.487 1
1 810 . 17 1 1 A 118 118 THR CA C 118 62.130 59.968 2.162 1
1 811 . 17 1 1 A 118 118 THR CB C 118 69.840 71.424 -1.584 1
1 813 . 17 1 1 A 118 118 THR N N 118 112.100 111.966 0.134 1
1 814 . 17 1 1 A 119 119 GLY H H 119 8.430 8.503 -0.073 1
1 815 . 17 1 1 A 119 119 GLY N N 119 111.230 112.080 -0.850 1
1 816 . 17 1 1 A 120 120 LYS H H 120 8.200 8.341 -0.141 1
1 817 . 17 1 1 A 120 120 LYS HA H 120 4.510 3.914 0.596 1
1 821 . 17 1 1 A 120 120 LYS CA C 120 56.110 58.886 -2.776 1
1 822 . 17 1 1 A 120 120 LYS CB C 120 33.270 32.941 0.329 1
1 823 . 17 1 1 A 120 120 LYS N N 120 121.180 123.612 -2.432 1
1 17 . 18 1 1 A 37 37 ARG H H 37 8.370 8.695 -0.325 1
1 18 . 18 1 1 A 37 37 ARG N N 37 121.030 122.142 -1.112 1
1 19 . 18 1 1 A 38 38 LYS H H 38 8.150 7.732 0.418 1
1 20 . 18 1 1 A 38 38 LYS HA H 38 4.750 4.465 0.285 1
1 25 . 18 1 1 A 38 38 LYS CA C 38 54.190 56.415 -2.225 1
1 26 . 18 1 1 A 38 38 LYS CB C 38 35.040 33.649 1.391 1
1 27 . 18 1 1 A 38 38 LYS N N 38 119.860 118.606 1.254 1
1 28 . 18 1 1 A 39 39 GLY H H 39 8.710 8.768 -0.058 1
1 29 . 18 1 1 A 39 39 GLY HA3 H 39 4.050 4.245 -0.195 1
1 30 . 18 1 1 A 39 39 GLY CA C 39 45.460 45.365 0.095 1
1 31 . 18 1 1 A 39 39 GLY N N 39 107.990 108.833 -0.843 1
1 32 . 18 1 1 A 40 40 ASN H H 40 8.300 9.475 -1.175 1
1 33 . 18 1 1 A 40 40 ASN HA H 40 4.850 5.026 -0.176 1
1 38 . 18 1 1 A 40 40 ASN CA C 40 54.110 52.252 1.858 1
1 39 . 18 1 1 A 40 40 ASN CB C 40 37.840 38.825 -0.985 1
1 40 . 18 1 1 A 40 40 ASN N N 40 115.650 123.505 -7.855 1
1 42 . 18 1 1 A 41 41 THR HA H 41 5.400 4.535 0.865 1
1 47 . 18 1 1 A 41 41 THR CA C 41 63.410 64.136 -0.726 1
1 48 . 18 1 1 A 41 41 THR CB C 41 69.930 69.023 0.907 1
1 50 . 18 1 1 A 42 42 LEU H H 42 9.900 9.573 0.327 1
1 51 . 18 1 1 A 42 42 LEU HA H 42 5.090 5.254 -0.164 1
1 61 . 18 1 1 A 42 42 LEU CA C 42 53.260 53.811 -0.551 1
1 62 . 18 1 1 A 42 42 LEU CB C 42 43.590 44.598 -1.008 1
1 66 . 18 1 1 A 42 42 LEU N N 42 127.870 127.083 0.787 1
1 67 . 18 1 1 A 43 43 TYR H H 43 9.190 9.077 0.113 1
1 68 . 18 1 1 A 43 43 TYR HA H 43 4.420 5.100 -0.680 1
1 71 . 18 1 1 A 43 43 TYR CB C 43 40.310 41.249 -0.939 1
1 72 . 18 1 1 A 43 43 TYR N N 43 124.140 125.112 -0.972 1
1 73 . 18 1 1 A 44 44 VAL H H 44 7.980 8.490 -0.510 1
1 74 . 18 1 1 A 44 44 VAL HA H 44 4.810 5.214 -0.404 1
1 82 . 18 1 1 A 44 44 VAL CA C 44 59.320 60.904 -1.584 1
1 83 . 18 1 1 A 44 44 VAL CB C 44 34.360 34.862 -0.502 1
1 86 . 18 1 1 A 44 44 VAL N N 44 127.360 127.375 -0.015 1
1 87 . 18 1 1 A 45 45 TYR H H 45 9.020 8.904 0.116 1
1 88 . 18 1 1 A 45 45 TYR HA H 45 4.980 5.237 -0.257 1
1 94 . 18 1 1 A 45 45 TYR CA C 45 55.680 55.632 0.048 1
1 95 . 18 1 1 A 45 45 TYR CB C 45 42.210 41.463 0.747 1
1 96 . 18 1 1 A 45 45 TYR N N 45 126.390 128.435 -2.045 1
1 97 . 18 1 1 A 46 46 GLY H H 46 7.510 7.362 0.148 1
1 98 . 18 1 1 A 46 46 GLY HA2 H 46 3.830 3.966 -0.136 1
1 99 . 18 1 1 A 46 46 GLY HA3 H 46 3.830 3.989 -0.159 1
1 100 . 18 1 1 A 46 46 GLY CA C 46 45.360 45.794 -0.434 1
1 101 . 18 1 1 A 46 46 GLY N N 46 114.220 111.201 3.019 1
1 102 . 18 1 1 A 47 47 GLU H H 47 8.750 8.611 0.139 1
1 103 . 18 1 1 A 47 47 GLU HA H 47 3.990 4.699 -0.709 1
1 108 . 18 1 1 A 47 47 GLU CA C 47 56.720 54.437 2.283 1
1 109 . 18 1 1 A 47 47 GLU CB C 47 30.460 33.147 -2.687 1
1 111 . 18 1 1 A 47 47 GLU N N 47 123.880 119.769 4.111 1
1 112 . 18 1 1 A 48 48 ASP H H 48 8.540 8.942 -0.402 1
1 113 . 18 1 1 A 48 48 ASP HA H 48 4.250 4.165 0.085 1
1 116 . 18 1 1 A 48 48 ASP CA C 48 55.210 54.841 0.369 1
1 117 . 18 1 1 A 48 48 ASP CB C 48 39.150 39.465 -0.315 1
1 118 . 18 1 1 A 48 48 ASP N N 48 117.200 122.218 -5.018 1
1 119 . 18 1 1 A 49 49 MET H H 49 8.190 7.728 0.462 1
1 120 . 18 1 1 A 49 49 MET HA H 49 4.120 4.928 -0.808 1
1 126 . 18 1 1 A 49 49 MET CA C 49 57.510 54.070 3.440 1
1 127 . 18 1 1 A 49 49 MET CB C 49 34.620 34.599 0.021 1
1 129 . 18 1 1 A 49 49 MET N N 49 114.560 117.784 -3.224 1
1 130 . 18 1 1 A 50 50 THR H H 50 6.510 8.611 -2.101 1
1 131 . 18 1 1 A 50 50 THR HA H 50 5.020 4.940 0.080 1
1 136 . 18 1 1 A 50 50 THR CA C 50 57.960 58.384 -0.424 1
1 137 . 18 1 1 A 50 50 THR CB C 50 70.150 69.853 0.297 1
1 139 . 18 1 1 A 50 50 THR N N 50 108.060 113.587 -5.527 1
1 140 . 18 1 1 A 51 51 PRO HA H 51 4.340 4.284 0.056 1
1 146 . 18 1 1 A 51 51 PRO CA C 51 65.790 65.772 0.018 1
1 147 . 18 1 1 A 51 51 PRO CB C 51 31.780 31.608 0.172 1
1 150 . 18 1 1 A 52 52 THR H H 52 7.640 7.817 -0.177 1
1 151 . 18 1 1 A 52 52 THR HA H 52 3.980 3.974 0.006 1
1 156 . 18 1 1 A 52 52 THR CA C 52 66.160 65.754 0.406 1
1 157 . 18 1 1 A 52 52 THR CB C 52 68.430 68.573 -0.143 1
1 159 . 18 1 1 A 52 52 THR N N 52 111.520 111.503 0.017 1
1 160 . 18 1 1 A 53 53 LEU H H 53 7.810 8.079 -0.269 1
1 161 . 18 1 1 A 53 53 LEU HA H 53 4.130 4.029 0.101 1
1 171 . 18 1 1 A 53 53 LEU CA C 53 58.360 58.481 -0.121 1
1 172 . 18 1 1 A 53 53 LEU CB C 53 42.970 41.783 1.187 1
1 176 . 18 1 1 A 53 53 LEU N N 53 125.410 121.524 3.886 1
1 177 . 18 1 1 A 54 54 LEU H H 54 7.840 8.187 -0.347 1
1 178 . 18 1 1 A 54 54 LEU HA H 54 4.260 3.997 0.263 1
1 188 . 18 1 1 A 54 54 LEU CA C 54 57.580 58.200 -0.620 1
1 189 . 18 1 1 A 54 54 LEU CB C 54 42.330 41.467 0.863 1
1 193 . 18 1 1 A 54 54 LEU N N 54 117.150 119.258 -2.108 1
1 194 . 18 1 1 A 55 55 ARG H H 55 9.020 8.915 0.105 1
1 195 . 18 1 1 A 55 55 ARG HA H 55 3.880 4.046 -0.166 1
1 202 . 18 1 1 A 55 55 ARG CA C 55 60.890 59.930 0.960 1
1 203 . 18 1 1 A 55 55 ARG CB C 55 29.580 29.907 -0.327 1
1 206 . 18 1 1 A 55 55 ARG N N 55 120.050 119.245 0.805 1
1 207 . 18 1 1 A 56 56 GLY H H 56 8.180 8.352 -0.172 1
1 208 . 18 1 1 A 56 56 GLY HA2 H 56 3.940 3.921 0.019 1
1 209 . 18 1 1 A 56 56 GLY HA3 H 56 4.100 3.940 0.160 1
1 210 . 18 1 1 A 56 56 GLY CA C 56 47.210 47.100 0.110 1
1 211 . 18 1 1 A 56 56 GLY N N 56 106.700 107.323 -0.623 1
1 212 . 18 1 1 A 57 57 ALA H H 57 7.830 7.939 -0.109 1
1 213 . 18 1 1 A 57 57 ALA HA H 57 4.360 4.068 0.292 1
1 217 . 18 1 1 A 57 57 ALA CA C 57 53.590 54.296 -0.706 1
1 218 . 18 1 1 A 57 57 ALA CB C 57 19.050 18.230 0.820 1
1 219 . 18 1 1 A 57 57 ALA N N 57 120.270 124.676 -4.406 1
1 220 . 18 1 1 A 58 58 PHE H H 58 8.600 8.149 0.451 1
1 221 . 18 1 1 A 58 58 PHE HA H 58 4.790 5.481 -0.691 1
1 227 . 18 1 1 A 58 58 PHE CA C 58 60.210 57.637 2.573 1
1 228 . 18 1 1 A 58 58 PHE CB C 58 38.390 39.789 -1.399 1
1 229 . 18 1 1 A 58 58 PHE N N 58 110.250 116.790 -6.540 1
1 230 . 18 1 1 A 59 59 SER H H 59 8.610 8.169 0.441 1
1 231 . 18 1 1 A 59 59 SER HA H 59 4.810 4.396 0.414 1
1 234 . 18 1 1 A 59 59 SER CA C 59 63.540 63.015 0.525 1
1 235 . 18 1 1 A 59 59 SER CB C 59 62.910 62.620 0.290 1
1 236 . 18 1 1 A 59 59 SER N N 59 122.860 117.014 5.846 1
1 237 . 18 1 1 A 60 60 PRO HA H 60 4.280 4.354 -0.074 1
1 244 . 18 1 1 A 60 60 PRO CA C 60 65.680 65.397 0.283 1
1 245 . 18 1 1 A 60 60 PRO CB C 60 31.420 30.989 0.431 1
1 248 . 18 1 1 A 61 61 PHE H H 61 6.850 8.747 -1.897 1
1 249 . 18 1 1 A 61 61 PHE HA H 61 4.510 4.263 0.247 1
1 257 . 18 1 1 A 61 61 PHE CA C 61 58.310 60.254 -1.944 1
1 258 . 18 1 1 A 61 61 PHE CB C 61 38.920 39.092 -0.172 1
1 259 . 18 1 1 A 61 61 PHE N N 61 109.700 116.814 -7.114 1
1 260 . 18 1 1 A 62 62 GLY H H 62 7.800 7.103 0.697 1
1 261 . 18 1 1 A 62 62 GLY HA2 H 62 4.090 3.944 0.146 1
1 262 . 18 1 1 A 62 62 GLY HA3 H 62 4.290 4.099 0.191 1
1 263 . 18 1 1 A 62 62 GLY CA C 62 45.290 45.626 -0.336 1
1 264 . 18 1 1 A 62 62 GLY N N 62 106.520 104.865 1.655 1
1 265 . 18 1 1 A 63 63 ASN H H 63 8.520 8.565 -0.045 1
1 266 . 18 1 1 A 63 63 ASN HA H 63 4.920 5.224 -0.304 1
1 271 . 18 1 1 A 63 63 ASN CA C 63 52.930 53.062 -0.132 1
1 272 . 18 1 1 A 63 63 ASN CB C 63 38.630 39.825 -1.195 1
1 273 . 18 1 1 A 63 63 ASN N N 63 117.020 118.615 -1.595 1
1 275 . 18 1 1 A 64 64 ILE H H 64 8.750 9.018 -0.268 1
1 276 . 18 1 1 A 64 64 ILE HA H 64 4.100 4.809 -0.709 1
1 286 . 18 1 1 A 64 64 ILE CA C 64 61.940 60.684 1.256 1
1 287 . 18 1 1 A 64 64 ILE CB C 64 38.780 38.992 -0.212 1
1 291 . 18 1 1 A 64 64 ILE N N 64 127.930 123.252 4.678 1
1 292 . 18 1 1 A 65 65 ILE H H 65 8.910 8.559 0.351 1
1 293 . 18 1 1 A 65 65 ILE HA H 65 4.490 4.388 0.102 1
1 303 . 18 1 1 A 65 65 ILE CA C 65 61.310 61.463 -0.153 1
1 304 . 18 1 1 A 65 65 ILE CB C 65 38.470 38.905 -0.435 1
1 308 . 18 1 1 A 65 65 ILE N N 65 124.530 121.933 2.597 1
1 309 . 18 1 1 A 66 66 ASP H H 66 7.520 7.857 -0.337 1
1 310 . 18 1 1 A 66 66 ASP HA H 66 4.700 5.048 -0.348 1
1 313 . 18 1 1 A 66 66 ASP CA C 66 55.520 53.794 1.726 1
1 314 . 18 1 1 A 66 66 ASP CB C 66 45.290 43.878 1.412 1
1 315 . 18 1 1 A 66 66 ASP N N 66 119.140 120.996 -1.856 1
1 316 . 18 1 1 A 67 67 LEU H H 67 8.230 8.996 -0.766 1
1 317 . 18 1 1 A 67 67 LEU HA H 67 4.980 5.098 -0.118 1
1 326 . 18 1 1 A 67 67 LEU CA C 67 54.980 53.440 1.540 1
1 327 . 18 1 1 A 67 67 LEU CB C 67 44.440 44.937 -0.497 1
1 330 . 18 1 1 A 67 67 LEU N N 67 127.890 128.750 -0.860 1
1 331 . 18 1 1 A 68 68 SER H H 68 8.810 8.973 -0.163 1
1 332 . 18 1 1 A 68 68 SER HA H 68 4.970 5.339 -0.369 1
1 335 . 18 1 1 A 68 68 SER CA C 68 57.170 56.712 0.458 1
1 336 . 18 1 1 A 68 68 SER CB C 68 65.320 65.748 -0.428 1
1 337 . 18 1 1 A 68 68 SER N N 68 122.560 120.789 1.771 1
1 338 . 18 1 1 A 69 69 MET H H 69 9.050 8.958 0.092 1
1 339 . 18 1 1 A 69 69 MET HA H 69 4.740 5.271 -0.531 1
1 345 . 18 1 1 A 69 69 MET CA C 69 54.520 54.107 0.413 1
1 348 . 18 1 1 A 69 69 MET N N 69 122.420 123.377 -0.957 1
1 349 . 18 1 1 A 70 70 ASP H H 70 8.620 8.697 -0.077 1
1 350 . 18 1 1 A 70 70 ASP HA H 70 5.140 5.321 -0.181 1
1 353 . 18 1 1 A 70 70 ASP CA C 70 51.410 50.713 0.697 1
1 354 . 18 1 1 A 70 70 ASP CB C 70 40.930 42.603 -1.673 1
1 355 . 18 1 1 A 70 70 ASP N N 70 120.620 121.844 -1.224 1
1 356 . 18 1 1 A 71 71 PRO HA H 71 4.760 4.368 0.392 1
1 359 . 18 1 1 A 71 71 PRO CA C 71 66.380 64.385 1.995 1
1 361 . 18 1 1 A 72 72 PRO HA H 72 4.520 4.360 0.160 1
1 368 . 18 1 1 A 72 72 PRO CA C 72 65.750 65.194 0.556 1
1 369 . 18 1 1 A 72 72 PRO CB C 72 31.570 31.423 0.147 1
1 371 . 18 1 1 A 73 73 ARG H H 73 7.360 7.509 -0.149 1
1 372 . 18 1 1 A 73 73 ARG HA H 73 4.570 4.513 0.057 1
1 378 . 18 1 1 A 73 73 ARG CA C 73 55.160 55.424 -0.264 1
1 379 . 18 1 1 A 73 73 ARG CB C 73 29.000 30.858 -1.858 1
1 382 . 18 1 1 A 73 73 ARG N N 73 114.560 116.475 -1.915 1
1 383 . 18 1 1 A 74 74 ASN H H 74 8.440 7.949 0.491 1
1 384 . 18 1 1 A 74 74 ASN HA H 74 4.270 4.112 0.158 1
1 389 . 18 1 1 A 74 74 ASN CA C 74 53.830 54.515 -0.685 1
1 390 . 18 1 1 A 74 74 ASN CB C 74 37.500 36.381 1.119 1
1 391 . 18 1 1 A 74 74 ASN N N 74 115.460 115.146 0.314 1
1 393 . 18 1 1 A 75 75 CYS H H 75 7.270 7.546 -0.276 1
1 394 . 18 1 1 A 75 75 CYS HA H 75 5.730 5.156 0.574 1
1 396 . 18 1 1 A 75 75 CYS CA C 75 55.420 57.188 -1.768 1
1 397 . 18 1 1 A 75 75 CYS CB C 75 32.640 30.726 1.914 1
1 398 . 18 1 1 A 75 75 CYS N N 75 127.180 113.358 13.822 1
1 399 . 18 1 1 A 76 76 ALA H H 76 8.590 8.541 0.049 1
1 403 . 18 1 1 A 76 76 ALA CB C 76 24.400 22.300 2.100 1
1 404 . 18 1 1 A 76 76 ALA N N 76 122.120 125.221 -3.101 1
1 405 . 18 1 1 A 77 77 PHE H H 77 8.780 9.642 -0.862 1
1 406 . 18 1 1 A 77 77 PHE HA H 77 5.620 5.531 0.089 1
1 407 . 18 1 1 A 77 77 PHE CA C 77 55.850 56.475 -0.625 1
1 408 . 18 1 1 A 77 77 PHE N N 77 115.390 117.513 -2.123 1
1 409 . 18 1 1 A 78 78 VAL H H 78 8.580 8.818 -0.238 1
1 410 . 18 1 1 A 78 78 VAL HA H 78 4.300 4.529 -0.229 1
1 418 . 18 1 1 A 78 78 VAL CA C 78 60.960 60.607 0.353 1
1 419 . 18 1 1 A 78 78 VAL CB C 78 34.360 34.472 -0.112 1
1 422 . 18 1 1 A 78 78 VAL N N 78 126.440 122.384 4.056 1
1 423 . 18 1 1 A 79 79 THR H H 79 8.960 8.354 0.606 1
1 424 . 18 1 1 A 79 79 THR HA H 79 5.330 5.214 0.116 1
1 429 . 18 1 1 A 79 79 THR CA C 79 61.940 62.168 -0.228 1
1 430 . 18 1 1 A 79 79 THR CB C 79 69.910 70.500 -0.590 1
1 432 . 18 1 1 A 79 79 THR N N 79 123.990 123.339 0.651 1
1 433 . 18 1 1 A 80 80 TYR H H 80 8.880 8.660 0.220 1
1 434 . 18 1 1 A 80 80 TYR HA H 80 5.400 4.996 0.404 1
1 437 . 18 1 1 A 80 80 TYR CA C 80 57.660 56.523 1.137 1
1 438 . 18 1 1 A 80 80 TYR CB C 80 42.220 41.399 0.821 1
1 439 . 18 1 1 A 80 80 TYR N N 80 126.670 124.383 2.287 1
1 440 . 18 1 1 A 81 81 GLU H H 81 8.490 8.882 -0.392 1
1 441 . 18 1 1 A 81 81 GLU HA H 81 4.110 4.144 -0.034 1
1 446 . 18 1 1 A 81 81 GLU CA C 81 59.290 59.683 -0.393 1
1 447 . 18 1 1 A 81 81 GLU CB C 81 31.210 29.590 1.620 1
1 449 . 18 1 1 A 81 81 GLU N N 81 119.690 125.117 -5.427 1
1 450 . 18 1 1 A 82 82 LYS H H 82 8.460 7.978 0.482 1
1 451 . 18 1 1 A 82 82 LYS HA H 82 5.020 4.717 0.303 1
1 457 . 18 1 1 A 82 82 LYS CA C 82 54.140 54.804 -0.664 1
1 458 . 18 1 1 A 82 82 LYS CB C 82 34.420 35.204 -0.784 1
1 462 . 18 1 1 A 82 82 LYS N N 82 113.920 117.012 -3.092 1
1 463 . 18 1 1 A 83 83 MET H H 83 9.100 9.130 -0.030 1
1 464 . 18 1 1 A 83 83 MET HA H 83 4.070 4.227 -0.157 1
1 468 . 18 1 1 A 83 83 MET CA C 83 59.570 58.177 1.393 1
1 469 . 18 1 1 A 83 83 MET CB C 83 32.420 31.656 0.764 1
1 471 . 18 1 1 A 83 83 MET N N 83 122.530 122.203 0.327 1
1 472 . 18 1 1 A 84 84 GLU H H 84 9.690 7.963 1.727 1
1 473 . 18 1 1 A 84 84 GLU HA H 84 4.240 4.032 0.208 1
1 477 . 18 1 1 A 84 84 GLU CA C 84 60.040 59.330 0.710 1
1 478 . 18 1 1 A 84 84 GLU CB C 84 28.640 29.403 -0.763 1
1 480 . 18 1 1 A 84 84 GLU N N 84 117.940 120.049 -2.109 1
1 481 . 18 1 1 A 85 85 SER H H 85 7.110 7.770 -0.660 1
1 482 . 18 1 1 A 85 85 SER HA H 85 4.130 4.017 0.113 1
1 485 . 18 1 1 A 85 85 SER CA C 85 61.840 61.315 0.525 1
1 486 . 18 1 1 A 85 85 SER CB C 85 62.400 62.397 0.003 1
1 487 . 18 1 1 A 85 85 SER N N 85 115.500 116.017 -0.517 1
1 488 . 18 1 1 A 86 86 ALA H H 86 6.860 7.425 -0.565 1
1 489 . 18 1 1 A 86 86 ALA HA H 86 4.080 4.437 -0.357 1
1 493 . 18 1 1 A 86 86 ALA CA C 86 55.210 55.175 0.035 1
1 494 . 18 1 1 A 86 86 ALA CB C 86 18.070 18.538 -0.468 1
1 495 . 18 1 1 A 86 86 ALA N N 86 122.760 123.352 -0.592 1
1 496 . 18 1 1 A 87 87 ASP H H 87 7.680 8.062 -0.382 1
1 497 . 18 1 1 A 87 87 ASP HA H 87 4.390 4.390 0.000 1
1 500 . 18 1 1 A 87 87 ASP CA C 87 57.470 57.547 -0.077 1
1 501 . 18 1 1 A 87 87 ASP CB C 87 40.850 41.185 -0.335 1
1 502 . 18 1 1 A 87 87 ASP N N 87 115.980 118.367 -2.387 1
1 503 . 18 1 1 A 88 88 GLN H H 88 7.670 7.835 -0.165 1
1 504 . 18 1 1 A 88 88 GLN HA H 88 4.040 4.134 -0.094 1
1 511 . 18 1 1 A 88 88 GLN CA C 88 58.500 58.924 -0.424 1
1 512 . 18 1 1 A 88 88 GLN CB C 88 28.270 28.966 -0.696 1
1 514 . 18 1 1 A 88 88 GLN N N 88 119.920 119.250 0.670 1
1 516 . 18 1 1 A 89 89 ALA H H 89 7.950 7.668 0.282 1
1 517 . 18 1 1 A 89 89 ALA HA H 89 2.800 2.493 0.307 1
1 521 . 18 1 1 A 89 89 ALA CA C 89 54.930 54.449 0.481 1
1 522 . 18 1 1 A 89 89 ALA CB C 89 19.340 18.117 1.223 1
1 523 . 18 1 1 A 89 89 ALA N N 89 121.330 122.039 -0.709 1
1 524 . 18 1 1 A 90 90 VAL H H 90 8.030 8.747 -0.717 1
1 525 . 18 1 1 A 90 90 VAL HA H 90 3.370 3.607 -0.237 1
1 533 . 18 1 1 A 90 90 VAL CA C 90 67.090 66.103 0.987 1
1 534 . 18 1 1 A 90 90 VAL CB C 90 32.180 31.571 0.609 1
1 537 . 18 1 1 A 90 90 VAL N N 90 116.630 118.260 -1.630 1
1 538 . 18 1 1 A 91 91 ALA H H 91 7.350 7.832 -0.482 1
1 539 . 18 1 1 A 91 91 ALA HA H 91 4.130 4.110 0.020 1
1 543 . 18 1 1 A 91 91 ALA CA C 91 54.810 55.215 -0.405 1
1 544 . 18 1 1 A 91 91 ALA CB C 91 18.330 18.979 -0.649 1
1 545 . 18 1 1 A 91 91 ALA N N 91 119.620 122.407 -2.787 1
1 546 . 18 1 1 A 92 92 GLU H H 92 7.960 8.095 -0.135 1
1 547 . 18 1 1 A 92 92 GLU HA H 92 4.360 4.043 0.317 1
1 552 . 18 1 1 A 92 92 GLU CA C 92 57.930 59.550 -1.620 1
1 553 . 18 1 1 A 92 92 GLU CB C 92 30.980 30.672 0.308 1
1 555 . 18 1 1 A 92 92 GLU N N 92 113.770 118.109 -4.339 1
1 556 . 18 1 1 A 93 93 LEU H H 93 8.310 8.453 -0.143 1
1 557 . 18 1 1 A 93 93 LEU HA H 93 4.620 4.056 0.564 1
1 567 . 18 1 1 A 93 93 LEU CA C 93 55.810 57.397 -1.587 1
1 568 . 18 1 1 A 93 93 LEU CB C 93 44.130 41.452 2.678 1
1 572 . 18 1 1 A 93 93 LEU N N 93 114.550 119.474 -4.924 1
1 573 . 18 1 1 A 94 94 ASN H H 94 7.910 7.678 0.232 1
1 574 . 18 1 1 A 94 94 ASN HA H 94 4.430 4.329 0.101 1
1 577 . 18 1 1 A 94 94 ASN CA C 94 56.690 54.950 1.740 1
1 578 . 18 1 1 A 94 94 ASN N N 94 116.840 117.604 -0.764 1
1 580 . 18 1 1 A 95 95 GLY H H 95 8.890 8.719 0.171 1
1 581 . 18 1 1 A 95 95 GLY HA2 H 95 3.960 3.902 0.058 1
1 582 . 18 1 1 A 95 95 GLY HA3 H 95 4.290 3.904 0.386 1
1 583 . 18 1 1 A 95 95 GLY CA C 95 46.090 46.392 -0.302 1
1 584 . 18 1 1 A 95 95 GLY N N 95 116.350 113.403 2.947 1
1 585 . 18 1 1 A 96 96 THR H H 96 7.860 7.627 0.233 1
1 586 . 18 1 1 A 96 96 THR HA H 96 4.660 5.020 -0.360 1
1 591 . 18 1 1 A 96 96 THR CA C 96 60.880 59.286 1.594 1
1 592 . 18 1 1 A 96 96 THR CB C 96 71.090 72.290 -1.200 1
1 594 . 18 1 1 A 96 96 THR N N 96 113.920 110.512 3.408 1
1 595 . 18 1 1 A 97 97 GLN H H 97 8.360 8.743 -0.383 1
1 596 . 18 1 1 A 97 97 GLN HA H 97 5.210 5.097 0.113 1
1 602 . 18 1 1 A 97 97 GLN CA C 97 54.170 54.055 0.115 1
1 603 . 18 1 1 A 97 97 GLN CB C 97 30.470 32.578 -2.108 1
1 605 . 18 1 1 A 97 97 GLN N N 97 119.550 120.638 -1.088 1
1 607 . 18 1 1 A 98 98 VAL H H 98 8.900 9.623 -0.723 1
1 608 . 18 1 1 A 98 98 VAL HA H 98 4.200 4.472 -0.272 1
1 616 . 18 1 1 A 98 98 VAL CA C 98 61.350 60.696 0.654 1
1 617 . 18 1 1 A 98 98 VAL CB C 98 33.600 33.451 0.149 1
1 620 . 18 1 1 A 98 98 VAL N N 98 127.260 124.433 2.827 1
1 621 . 18 1 1 A 99 99 GLU H H 99 9.160 8.524 0.636 1
1 622 . 18 1 1 A 99 99 GLU HA H 99 3.820 4.086 -0.266 1
1 625 . 18 1 1 A 99 99 GLU CA C 99 57.950 59.396 -1.446 1
1 626 . 18 1 1 A 99 99 GLU CB C 99 27.110 29.846 -2.736 1
1 628 . 18 1 1 A 99 99 GLU N N 99 124.200 123.315 0.885 1
1 629 . 18 1 1 A 100 100 SER H H 100 8.330 7.898 0.432 1
1 630 . 18 1 1 A 100 100 SER HA H 100 4.280 4.682 -0.402 1
1 633 . 18 1 1 A 100 100 SER CA C 100 59.780 57.480 2.300 1
1 634 . 18 1 1 A 100 100 SER CB C 100 63.300 64.718 -1.418 1
1 635 . 18 1 1 A 100 100 SER N N 100 111.660 113.690 -2.030 1
1 636 . 18 1 1 A 101 101 VAL H H 101 8.410 7.590 0.820 1
1 637 . 18 1 1 A 101 101 VAL HA H 101 4.210 4.872 -0.662 1
1 645 . 18 1 1 A 101 101 VAL CA C 101 62.080 60.051 2.029 1
1 646 . 18 1 1 A 101 101 VAL CB C 101 33.200 36.539 -3.339 1
1 649 . 18 1 1 A 101 101 VAL N N 101 124.550 121.254 3.296 1
1 650 . 18 1 1 A 102 102 GLN H H 102 8.510 8.682 -0.172 1
1 651 . 18 1 1 A 102 102 GLN HA H 102 4.590 5.021 -0.431 1
1 658 . 18 1 1 A 102 102 GLN CA C 102 55.090 54.645 0.445 1
1 659 . 18 1 1 A 102 102 GLN CB C 102 28.620 31.194 -2.574 1
1 661 . 18 1 1 A 102 102 GLN N N 102 127.320 124.895 2.425 1
1 663 . 18 1 1 A 103 103 LEU H H 103 8.710 8.972 -0.262 1
1 664 . 18 1 1 A 103 103 LEU HA H 103 5.050 5.122 -0.072 1
1 674 . 18 1 1 A 103 103 LEU CA C 103 54.740 53.301 1.439 1
1 675 . 18 1 1 A 103 103 LEU CB C 103 44.820 44.636 0.184 1
1 679 . 18 1 1 A 103 103 LEU N N 103 126.610 123.860 2.750 1
1 680 . 18 1 1 A 104 104 LYS H H 104 8.690 8.793 -0.103 1
1 681 . 18 1 1 A 104 104 LYS HA H 104 5.030 5.099 -0.069 1
1 688 . 18 1 1 A 104 104 LYS CA C 104 55.480 54.816 0.664 1
1 689 . 18 1 1 A 104 104 LYS CB C 104 34.520 35.673 -1.153 1
1 693 . 18 1 1 A 104 104 LYS N N 104 124.080 122.501 1.579 1
1 694 . 18 1 1 A 105 105 VAL H H 105 9.050 8.730 0.320 1
1 695 . 18 1 1 A 105 105 VAL HA H 105 5.190 5.273 -0.083 1
1 703 . 18 1 1 A 105 105 VAL CA C 105 60.840 60.668 0.172 1
1 704 . 18 1 1 A 105 105 VAL CB C 105 35.660 34.556 1.104 1
1 707 . 18 1 1 A 105 105 VAL N N 105 123.920 122.937 0.983 1
1 708 . 18 1 1 A 106 106 ASN H H 106 9.300 9.453 -0.153 1
1 709 . 18 1 1 A 106 106 ASN HA H 106 5.220 5.369 -0.149 1
1 714 . 18 1 1 A 106 106 ASN CA C 106 51.630 51.586 0.044 1
1 715 . 18 1 1 A 106 106 ASN CB C 106 43.840 43.404 0.436 1
1 716 . 18 1 1 A 106 106 ASN N N 106 122.780 123.837 -1.057 1
1 718 . 18 1 1 A 107 107 ILE H H 107 9.050 8.728 0.322 1
1 719 . 18 1 1 A 107 107 ILE HA H 107 4.160 4.845 -0.685 1
1 729 . 18 1 1 A 107 107 ILE CA C 107 61.670 60.162 1.508 1
1 730 . 18 1 1 A 107 107 ILE CB C 107 36.140 39.827 -3.687 1
1 733 . 18 1 1 A 107 107 ILE N N 107 122.980 120.702 2.278 1
1 734 . 18 1 1 A 108 108 ALA H H 108 8.740 8.678 0.062 1
1 735 . 18 1 1 A 108 108 ALA HA H 108 4.780 5.283 -0.503 1
1 739 . 18 1 1 A 108 108 ALA CA C 108 52.620 50.565 2.055 1
1 740 . 18 1 1 A 108 108 ALA CB C 108 19.570 22.826 -3.256 1
1 741 . 18 1 1 A 108 108 ALA N N 108 131.610 129.095 2.515 1
1 742 . 18 1 1 A 109 109 ARG HA H 109 4.390 4.658 -0.268 1
1 746 . 18 1 1 A 109 109 ARG CA C 109 56.120 55.410 0.710 1
1 747 . 18 1 1 A 109 109 ARG CB C 109 31.010 30.276 0.734 1
1 749 . 18 1 1 A 111 111 GLN HA H 111 4.630 4.576 0.054 1
1 754 . 18 1 1 A 111 111 GLN CA C 111 55.160 53.719 1.441 1
1 755 . 18 1 1 A 111 111 GLN CB C 111 32.900 28.468 4.432 1
1 757 . 18 1 1 A 112 112 PRO HA H 112 4.370 4.510 -0.140 1
1 761 . 18 1 1 A 112 112 PRO CA C 112 64.090 64.010 0.080 1
1 762 . 18 1 1 A 112 112 PRO CB C 112 32.650 31.762 0.888 1
1 767 . 18 1 1 A 114 114 LEU H H 114 7.710 7.404 0.306 1
1 768 . 18 1 1 A 114 114 LEU HA H 114 4.440 4.524 -0.084 1
1 777 . 18 1 1 A 114 114 LEU CB C 114 42.640 43.428 -0.788 1
1 780 . 18 1 1 A 114 114 LEU N N 114 123.050 118.950 4.100 1
1 781 . 18 1 1 A 115 115 ASP H H 115 8.440 8.277 0.163 1
1 782 . 18 1 1 A 115 115 ASP HA H 115 4.610 4.290 0.320 1
1 785 . 18 1 1 A 115 115 ASP CA C 115 54.620 55.576 -0.956 1
1 786 . 18 1 1 A 115 115 ASP CB C 115 40.720 39.102 1.618 1
1 787 . 18 1 1 A 115 115 ASP N N 115 119.520 117.199 2.321 1
1 788 . 18 1 1 A 116 116 ALA H H 116 8.060 8.338 -0.278 1
1 789 . 18 1 1 A 116 116 ALA HA H 116 4.320 4.415 -0.095 1
1 793 . 18 1 1 A 116 116 ALA CA C 116 53.080 54.852 -1.772 1
1 794 . 18 1 1 A 116 116 ALA CB C 116 19.000 17.929 1.071 1
1 795 . 18 1 1 A 116 116 ALA N N 116 123.460 113.457 10.003 1
1 796 . 18 1 1 A 117 117 ALA H H 117 8.110 7.956 0.154 1
1 797 . 18 1 1 A 117 117 ALA HA H 117 4.640 4.498 0.142 1
1 801 . 18 1 1 A 117 117 ALA CA C 117 52.600 51.629 0.971 1
1 802 . 18 1 1 A 117 117 ALA CB C 117 19.360 18.886 0.474 1
1 803 . 18 1 1 A 117 117 ALA N N 117 121.130 118.171 2.959 1
1 804 . 18 1 1 A 118 118 THR H H 118 8.060 7.859 0.201 1
1 805 . 18 1 1 A 118 118 THR HA H 118 4.430 5.251 -0.821 1
1 810 . 18 1 1 A 118 118 THR CA C 118 62.130 59.792 2.338 1
1 811 . 18 1 1 A 118 118 THR CB C 118 69.840 71.929 -2.089 1
1 813 . 18 1 1 A 118 118 THR N N 118 112.100 115.079 -2.979 1
1 814 . 18 1 1 A 119 119 GLY H H 119 8.430 8.557 -0.127 1
1 815 . 18 1 1 A 119 119 GLY N N 119 111.230 111.566 -0.336 1
1 816 . 18 1 1 A 120 120 LYS H H 120 8.200 8.434 -0.234 1
1 817 . 18 1 1 A 120 120 LYS HA H 120 4.510 4.293 0.217 1
1 821 . 18 1 1 A 120 120 LYS CA C 120 56.110 55.608 0.502 1
1 822 . 18 1 1 A 120 120 LYS CB C 120 33.270 33.499 -0.229 1
1 823 . 18 1 1 A 120 120 LYS N N 120 121.180 120.340 0.840 1
1 17 . 19 1 1 A 37 37 ARG H H 37 8.370 7.881 0.489 1
1 18 . 19 1 1 A 37 37 ARG N N 37 121.030 119.767 1.263 1
1 19 . 19 1 1 A 38 38 LYS H H 38 8.150 8.715 -0.565 1
1 20 . 19 1 1 A 38 38 LYS HA H 38 4.750 4.932 -0.182 1
1 25 . 19 1 1 A 38 38 LYS CA C 38 54.190 54.682 -0.492 1
1 26 . 19 1 1 A 38 38 LYS CB C 38 35.040 35.374 -0.334 1
1 27 . 19 1 1 A 38 38 LYS N N 38 119.860 122.337 -2.477 1
1 28 . 19 1 1 A 39 39 GLY H H 39 8.710 9.016 -0.306 1
1 29 . 19 1 1 A 39 39 GLY HA3 H 39 4.050 4.333 -0.283 1
1 30 . 19 1 1 A 39 39 GLY CA C 39 45.460 45.516 -0.056 1
1 31 . 19 1 1 A 39 39 GLY N N 39 107.990 108.491 -0.501 1
1 32 . 19 1 1 A 40 40 ASN H H 40 8.300 8.793 -0.493 1
1 33 . 19 1 1 A 40 40 ASN HA H 40 4.850 5.179 -0.329 1
1 38 . 19 1 1 A 40 40 ASN CA C 40 54.110 52.878 1.232 1
1 39 . 19 1 1 A 40 40 ASN CB C 40 37.840 40.556 -2.716 1
1 40 . 19 1 1 A 40 40 ASN N N 40 115.650 118.208 -2.558 1
1 42 . 19 1 1 A 41 41 THR HA H 41 5.400 4.634 0.766 1
1 47 . 19 1 1 A 41 41 THR CA C 41 63.410 63.930 -0.520 1
1 48 . 19 1 1 A 41 41 THR CB C 41 69.930 69.224 0.706 1
1 50 . 19 1 1 A 42 42 LEU H H 42 9.900 9.048 0.852 1
1 51 . 19 1 1 A 42 42 LEU HA H 42 5.090 5.212 -0.122 1
1 61 . 19 1 1 A 42 42 LEU CA C 42 53.260 53.473 -0.213 1
1 62 . 19 1 1 A 42 42 LEU CB C 42 43.590 45.374 -1.784 1
1 66 . 19 1 1 A 42 42 LEU N N 42 127.870 126.628 1.242 1
1 67 . 19 1 1 A 43 43 TYR H H 43 9.190 8.852 0.338 1
1 68 . 19 1 1 A 43 43 TYR HA H 43 4.420 5.286 -0.866 1
1 71 . 19 1 1 A 43 43 TYR CB C 43 40.310 41.361 -1.051 1
1 72 . 19 1 1 A 43 43 TYR N N 43 124.140 124.799 -0.659 1
1 73 . 19 1 1 A 44 44 VAL H H 44 7.980 8.118 -0.138 1
1 74 . 19 1 1 A 44 44 VAL HA H 44 4.810 4.754 0.056 1
1 82 . 19 1 1 A 44 44 VAL CA C 44 59.320 60.795 -1.475 1
1 83 . 19 1 1 A 44 44 VAL CB C 44 34.360 34.830 -0.470 1
1 86 . 19 1 1 A 44 44 VAL N N 44 127.360 127.278 0.082 1
1 87 . 19 1 1 A 45 45 TYR H H 45 9.020 9.137 -0.117 1
1 88 . 19 1 1 A 45 45 TYR HA H 45 4.980 5.378 -0.398 1
1 94 . 19 1 1 A 45 45 TYR CA C 45 55.680 55.525 0.155 1
1 95 . 19 1 1 A 45 45 TYR CB C 45 42.210 41.970 0.240 1
1 96 . 19 1 1 A 45 45 TYR N N 45 126.390 128.517 -2.127 1
1 97 . 19 1 1 A 46 46 GLY H H 46 7.510 7.356 0.154 1
1 98 . 19 1 1 A 46 46 GLY HA2 H 46 3.830 4.141 -0.311 1
1 99 . 19 1 1 A 46 46 GLY HA3 H 46 3.830 4.153 -0.323 1
1 100 . 19 1 1 A 46 46 GLY CA C 46 45.360 45.919 -0.559 1
1 101 . 19 1 1 A 46 46 GLY N N 46 114.220 111.793 2.427 1
1 102 . 19 1 1 A 47 47 GLU H H 47 8.750 8.597 0.153 1
1 103 . 19 1 1 A 47 47 GLU HA H 47 3.990 4.663 -0.673 1
1 108 . 19 1 1 A 47 47 GLU CA C 47 56.720 54.818 1.902 1
1 109 . 19 1 1 A 47 47 GLU CB C 47 30.460 32.866 -2.406 1
1 111 . 19 1 1 A 47 47 GLU N N 47 123.880 120.362 3.518 1
1 112 . 19 1 1 A 48 48 ASP H H 48 8.540 8.621 -0.081 1
1 113 . 19 1 1 A 48 48 ASP HA H 48 4.250 4.028 0.222 1
1 116 . 19 1 1 A 48 48 ASP CA C 48 55.210 55.159 0.051 1
1 117 . 19 1 1 A 48 48 ASP CB C 48 39.150 39.401 -0.251 1
1 118 . 19 1 1 A 48 48 ASP N N 48 117.200 118.340 -1.140 1
1 119 . 19 1 1 A 49 49 MET H H 49 8.190 7.904 0.286 1
1 120 . 19 1 1 A 49 49 MET HA H 49 4.120 4.888 -0.768 1
1 126 . 19 1 1 A 49 49 MET CA C 49 57.510 54.067 3.443 1
1 127 . 19 1 1 A 49 49 MET CB C 49 34.620 34.111 0.509 1
1 129 . 19 1 1 A 49 49 MET N N 49 114.560 118.395 -3.835 1
1 130 . 19 1 1 A 50 50 THR H H 50 6.510 8.578 -2.068 1
1 131 . 19 1 1 A 50 50 THR HA H 50 5.020 4.924 0.096 1
1 136 . 19 1 1 A 50 50 THR CA C 50 57.960 58.443 -0.483 1
1 137 . 19 1 1 A 50 50 THR CB C 50 70.150 70.149 0.001 1
1 139 . 19 1 1 A 50 50 THR N N 50 108.060 113.969 -5.909 1
1 140 . 19 1 1 A 51 51 PRO HA H 51 4.340 4.238 0.102 1
1 146 . 19 1 1 A 51 51 PRO CA C 51 65.790 65.664 0.126 1
1 147 . 19 1 1 A 51 51 PRO CB C 51 31.780 31.828 -0.048 1
1 150 . 19 1 1 A 52 52 THR H H 52 7.640 7.841 -0.201 1
1 151 . 19 1 1 A 52 52 THR HA H 52 3.980 3.995 -0.015 1
1 156 . 19 1 1 A 52 52 THR CA C 52 66.160 65.564 0.596 1
1 157 . 19 1 1 A 52 52 THR CB C 52 68.430 68.588 -0.158 1
1 159 . 19 1 1 A 52 52 THR N N 52 111.520 111.715 -0.195 1
1 160 . 19 1 1 A 53 53 LEU H H 53 7.810 8.080 -0.270 1
1 161 . 19 1 1 A 53 53 LEU HA H 53 4.130 4.042 0.088 1
1 171 . 19 1 1 A 53 53 LEU CA C 53 58.360 58.437 -0.077 1
1 172 . 19 1 1 A 53 53 LEU CB C 53 42.970 42.041 0.929 1
1 176 . 19 1 1 A 53 53 LEU N N 53 125.410 121.454 3.956 1
1 177 . 19 1 1 A 54 54 LEU H H 54 7.840 8.248 -0.408 1
1 178 . 19 1 1 A 54 54 LEU HA H 54 4.260 4.004 0.256 1
1 188 . 19 1 1 A 54 54 LEU CA C 54 57.580 58.294 -0.714 1
1 189 . 19 1 1 A 54 54 LEU CB C 54 42.330 41.662 0.668 1
1 193 . 19 1 1 A 54 54 LEU N N 54 117.150 119.253 -2.103 1
1 194 . 19 1 1 A 55 55 ARG H H 55 9.020 9.174 -0.154 1
1 195 . 19 1 1 A 55 55 ARG HA H 55 3.880 4.112 -0.232 1
1 202 . 19 1 1 A 55 55 ARG CA C 55 60.890 59.862 1.028 1
1 203 . 19 1 1 A 55 55 ARG CB C 55 29.580 29.978 -0.398 1
1 206 . 19 1 1 A 55 55 ARG N N 55 120.050 118.943 1.107 1
1 207 . 19 1 1 A 56 56 GLY H H 56 8.180 8.229 -0.049 1
1 208 . 19 1 1 A 56 56 GLY HA2 H 56 3.940 3.909 0.031 1
1 209 . 19 1 1 A 56 56 GLY HA3 H 56 4.100 3.925 0.175 1
1 210 . 19 1 1 A 56 56 GLY CA C 56 47.210 47.014 0.196 1
1 211 . 19 1 1 A 56 56 GLY N N 56 106.700 107.519 -0.819 1
1 212 . 19 1 1 A 57 57 ALA H H 57 7.830 8.179 -0.349 1
1 213 . 19 1 1 A 57 57 ALA HA H 57 4.360 4.085 0.275 1
1 217 . 19 1 1 A 57 57 ALA CA C 57 53.590 54.134 -0.544 1
1 218 . 19 1 1 A 57 57 ALA CB C 57 19.050 18.318 0.732 1
1 219 . 19 1 1 A 57 57 ALA N N 57 120.270 124.707 -4.437 1
1 220 . 19 1 1 A 58 58 PHE H H 58 8.600 8.292 0.308 1
1 221 . 19 1 1 A 58 58 PHE HA H 58 4.790 5.725 -0.935 1
1 227 . 19 1 1 A 58 58 PHE CA C 58 60.210 57.730 2.480 1
1 228 . 19 1 1 A 58 58 PHE CB C 58 38.390 39.646 -1.256 1
1 229 . 19 1 1 A 58 58 PHE N N 58 110.250 117.148 -6.898 1
1 230 . 19 1 1 A 59 59 SER H H 59 8.610 7.816 0.794 1
1 231 . 19 1 1 A 59 59 SER HA H 59 4.810 4.393 0.417 1
1 234 . 19 1 1 A 59 59 SER CA C 59 63.540 62.918 0.622 1
1 235 . 19 1 1 A 59 59 SER CB C 59 62.910 63.182 -0.272 1
1 236 . 19 1 1 A 59 59 SER N N 59 122.860 116.232 6.628 1
1 237 . 19 1 1 A 60 60 PRO HA H 60 4.280 4.303 -0.023 1
1 244 . 19 1 1 A 60 60 PRO CA C 60 65.680 65.578 0.102 1
1 245 . 19 1 1 A 60 60 PRO CB C 60 31.420 30.532 0.888 1
1 248 . 19 1 1 A 61 61 PHE H H 61 6.850 8.415 -1.565 1
1 249 . 19 1 1 A 61 61 PHE HA H 61 4.510 4.176 0.334 1
1 257 . 19 1 1 A 61 61 PHE CA C 61 58.310 61.056 -2.746 1
1 258 . 19 1 1 A 61 61 PHE CB C 61 38.920 38.659 0.261 1
1 259 . 19 1 1 A 61 61 PHE N N 61 109.700 116.630 -6.930 1
1 260 . 19 1 1 A 62 62 GLY H H 62 7.800 7.629 0.171 1
1 261 . 19 1 1 A 62 62 GLY HA2 H 62 4.090 3.974 0.116 1
1 262 . 19 1 1 A 62 62 GLY HA3 H 62 4.290 4.085 0.205 1
1 263 . 19 1 1 A 62 62 GLY CA C 62 45.290 45.896 -0.606 1
1 264 . 19 1 1 A 62 62 GLY N N 62 106.520 103.732 2.788 1
1 265 . 19 1 1 A 63 63 ASN H H 63 8.520 8.581 -0.061 1
1 266 . 19 1 1 A 63 63 ASN HA H 63 4.920 5.300 -0.380 1
1 271 . 19 1 1 A 63 63 ASN CA C 63 52.930 52.880 0.050 1
1 272 . 19 1 1 A 63 63 ASN CB C 63 38.630 40.188 -1.558 1
1 273 . 19 1 1 A 63 63 ASN N N 63 117.020 119.127 -2.107 1
1 275 . 19 1 1 A 64 64 ILE H H 64 8.750 9.030 -0.280 1
1 276 . 19 1 1 A 64 64 ILE HA H 64 4.100 4.940 -0.840 1
1 286 . 19 1 1 A 64 64 ILE CA C 64 61.940 60.304 1.636 1
1 287 . 19 1 1 A 64 64 ILE CB C 64 38.780 39.458 -0.678 1
1 291 . 19 1 1 A 64 64 ILE N N 64 127.930 123.080 4.850 1
1 292 . 19 1 1 A 65 65 ILE H H 65 8.910 8.683 0.227 1
1 293 . 19 1 1 A 65 65 ILE HA H 65 4.490 4.386 0.104 1
1 303 . 19 1 1 A 65 65 ILE CA C 65 61.310 61.426 -0.116 1
1 304 . 19 1 1 A 65 65 ILE CB C 65 38.470 38.930 -0.460 1
1 308 . 19 1 1 A 65 65 ILE N N 65 124.530 122.564 1.966 1
1 309 . 19 1 1 A 66 66 ASP H H 66 7.520 7.930 -0.410 1
1 310 . 19 1 1 A 66 66 ASP HA H 66 4.700 5.064 -0.364 1
1 313 . 19 1 1 A 66 66 ASP CA C 66 55.520 53.847 1.673 1
1 314 . 19 1 1 A 66 66 ASP CB C 66 45.290 43.030 2.260 1
1 315 . 19 1 1 A 66 66 ASP N N 66 119.140 121.261 -2.121 1
1 316 . 19 1 1 A 67 67 LEU H H 67 8.230 8.989 -0.759 1
1 317 . 19 1 1 A 67 67 LEU HA H 67 4.980 5.040 -0.060 1
1 326 . 19 1 1 A 67 67 LEU CA C 67 54.980 53.564 1.416 1
1 327 . 19 1 1 A 67 67 LEU CB C 67 44.440 44.692 -0.252 1
1 330 . 19 1 1 A 67 67 LEU N N 67 127.890 129.037 -1.147 1
1 331 . 19 1 1 A 68 68 SER H H 68 8.810 8.985 -0.175 1
1 332 . 19 1 1 A 68 68 SER HA H 68 4.970 5.274 -0.304 1
1 335 . 19 1 1 A 68 68 SER CA C 68 57.170 56.708 0.462 1
1 336 . 19 1 1 A 68 68 SER CB C 68 65.320 65.272 0.048 1
1 337 . 19 1 1 A 68 68 SER N N 68 122.560 120.984 1.576 1
1 338 . 19 1 1 A 69 69 MET H H 69 9.050 8.980 0.070 1
1 339 . 19 1 1 A 69 69 MET HA H 69 4.740 5.335 -0.595 1
1 345 . 19 1 1 A 69 69 MET CA C 69 54.520 53.842 0.678 1
1 348 . 19 1 1 A 69 69 MET N N 69 122.420 123.964 -1.544 1
1 349 . 19 1 1 A 70 70 ASP H H 70 8.620 8.313 0.307 1
1 350 . 19 1 1 A 70 70 ASP HA H 70 5.140 5.220 -0.080 1
1 353 . 19 1 1 A 70 70 ASP CA C 70 51.410 51.032 0.378 1
1 354 . 19 1 1 A 70 70 ASP CB C 70 40.930 42.245 -1.315 1
1 355 . 19 1 1 A 70 70 ASP N N 70 120.620 122.412 -1.792 1
1 356 . 19 1 1 A 71 71 PRO HA H 71 4.760 4.363 0.397 1
1 359 . 19 1 1 A 71 71 PRO CA C 71 66.380 64.379 2.001 1
1 361 . 19 1 1 A 72 72 PRO HA H 72 4.520 4.359 0.161 1
1 368 . 19 1 1 A 72 72 PRO CA C 72 65.750 65.206 0.544 1
1 369 . 19 1 1 A 72 72 PRO CB C 72 31.570 31.322 0.248 1
1 371 . 19 1 1 A 73 73 ARG H H 73 7.360 7.507 -0.147 1
1 372 . 19 1 1 A 73 73 ARG HA H 73 4.570 4.502 0.068 1
1 378 . 19 1 1 A 73 73 ARG CA C 73 55.160 55.430 -0.270 1
1 379 . 19 1 1 A 73 73 ARG CB C 73 29.000 30.969 -1.969 1
1 382 . 19 1 1 A 73 73 ARG N N 73 114.560 116.282 -1.722 1
1 383 . 19 1 1 A 74 74 ASN H H 74 8.440 7.940 0.500 1
1 384 . 19 1 1 A 74 74 ASN HA H 74 4.270 4.097 0.173 1
1 389 . 19 1 1 A 74 74 ASN CA C 74 53.830 54.482 -0.652 1
1 390 . 19 1 1 A 74 74 ASN CB C 74 37.500 36.462 1.038 1
1 391 . 19 1 1 A 74 74 ASN N N 74 115.460 115.147 0.313 1
1 393 . 19 1 1 A 75 75 CYS H H 75 7.270 7.410 -0.140 1
1 394 . 19 1 1 A 75 75 CYS HA H 75 5.730 5.126 0.604 1
1 396 . 19 1 1 A 75 75 CYS CA C 75 55.420 57.100 -1.680 1
1 397 . 19 1 1 A 75 75 CYS CB C 75 32.640 30.768 1.872 1
1 398 . 19 1 1 A 75 75 CYS N N 75 127.180 113.258 13.922 1
1 399 . 19 1 1 A 76 76 ALA H H 76 8.590 8.415 0.175 1
1 403 . 19 1 1 A 76 76 ALA CB C 76 24.400 22.545 1.855 1
1 404 . 19 1 1 A 76 76 ALA N N 76 122.120 124.018 -1.898 1
1 405 . 19 1 1 A 77 77 PHE H H 77 8.780 9.401 -0.621 1
1 406 . 19 1 1 A 77 77 PHE HA H 77 5.620 5.398 0.222 1
1 407 . 19 1 1 A 77 77 PHE CA C 77 55.850 56.526 -0.676 1
1 408 . 19 1 1 A 77 77 PHE N N 77 115.390 117.473 -2.083 1
1 409 . 19 1 1 A 78 78 VAL H H 78 8.580 8.736 -0.156 1
1 410 . 19 1 1 A 78 78 VAL HA H 78 4.300 4.516 -0.216 1
1 418 . 19 1 1 A 78 78 VAL CA C 78 60.960 60.642 0.318 1
1 419 . 19 1 1 A 78 78 VAL CB C 78 34.360 34.536 -0.176 1
1 422 . 19 1 1 A 78 78 VAL N N 78 126.440 122.367 4.073 1
1 423 . 19 1 1 A 79 79 THR H H 79 8.960 8.368 0.592 1
1 424 . 19 1 1 A 79 79 THR HA H 79 5.330 5.375 -0.045 1
1 429 . 19 1 1 A 79 79 THR CA C 79 61.940 61.835 0.105 1
1 430 . 19 1 1 A 79 79 THR CB C 79 69.910 69.879 0.031 1
1 432 . 19 1 1 A 79 79 THR N N 79 123.990 123.707 0.283 1
1 433 . 19 1 1 A 80 80 TYR H H 80 8.880 9.360 -0.480 1
1 434 . 19 1 1 A 80 80 TYR HA H 80 5.400 4.948 0.452 1
1 437 . 19 1 1 A 80 80 TYR CA C 80 57.660 57.407 0.253 1
1 438 . 19 1 1 A 80 80 TYR CB C 80 42.220 39.990 2.230 1
1 439 . 19 1 1 A 80 80 TYR N N 80 126.670 126.476 0.194 1
1 440 . 19 1 1 A 81 81 GLU H H 81 8.490 8.817 -0.327 1
1 441 . 19 1 1 A 81 81 GLU HA H 81 4.110 4.483 -0.373 1
1 446 . 19 1 1 A 81 81 GLU CA C 81 59.290 60.174 -0.884 1
1 447 . 19 1 1 A 81 81 GLU CB C 81 31.210 29.636 1.574 1
1 449 . 19 1 1 A 81 81 GLU N N 81 119.690 126.073 -6.383 1
1 450 . 19 1 1 A 82 82 LYS H H 82 8.460 8.162 0.298 1
1 451 . 19 1 1 A 82 82 LYS HA H 82 5.020 4.752 0.268 1
1 457 . 19 1 1 A 82 82 LYS CA C 82 54.140 54.820 -0.680 1
1 458 . 19 1 1 A 82 82 LYS CB C 82 34.420 35.103 -0.683 1
1 462 . 19 1 1 A 82 82 LYS N N 82 113.920 117.152 -3.232 1
1 463 . 19 1 1 A 83 83 MET H H 83 9.100 8.852 0.248 1
1 464 . 19 1 1 A 83 83 MET HA H 83 4.070 4.345 -0.275 1
1 468 . 19 1 1 A 83 83 MET CA C 83 59.570 57.430 2.140 1
1 469 . 19 1 1 A 83 83 MET CB C 83 32.420 31.589 0.831 1
1 471 . 19 1 1 A 83 83 MET N N 83 122.530 121.457 1.073 1
1 472 . 19 1 1 A 84 84 GLU H H 84 9.690 7.803 1.887 1
1 473 . 19 1 1 A 84 84 GLU HA H 84 4.240 4.074 0.166 1
1 477 . 19 1 1 A 84 84 GLU CA C 84 60.040 59.126 0.914 1
1 478 . 19 1 1 A 84 84 GLU CB C 84 28.640 29.390 -0.750 1
1 480 . 19 1 1 A 84 84 GLU N N 84 117.940 119.965 -2.025 1
1 481 . 19 1 1 A 85 85 SER H H 85 7.110 7.825 -0.715 1
1 482 . 19 1 1 A 85 85 SER HA H 85 4.130 3.922 0.208 1
1 485 . 19 1 1 A 85 85 SER CA C 85 61.840 61.354 0.486 1
1 486 . 19 1 1 A 85 85 SER CB C 85 62.400 62.526 -0.126 1
1 487 . 19 1 1 A 85 85 SER N N 85 115.500 116.267 -0.767 1
1 488 . 19 1 1 A 86 86 ALA H H 86 6.860 7.947 -1.087 1
1 489 . 19 1 1 A 86 86 ALA HA H 86 4.080 4.287 -0.207 1
1 493 . 19 1 1 A 86 86 ALA CA C 86 55.210 55.377 -0.167 1
1 494 . 19 1 1 A 86 86 ALA CB C 86 18.070 18.062 0.008 1
1 495 . 19 1 1 A 86 86 ALA N N 86 122.760 123.052 -0.292 1
1 496 . 19 1 1 A 87 87 ASP H H 87 7.680 7.981 -0.301 1
1 497 . 19 1 1 A 87 87 ASP HA H 87 4.390 4.358 0.032 1
1 500 . 19 1 1 A 87 87 ASP CA C 87 57.470 57.642 -0.172 1
1 501 . 19 1 1 A 87 87 ASP CB C 87 40.850 42.160 -1.310 1
1 502 . 19 1 1 A 87 87 ASP N N 87 115.980 118.375 -2.395 1
1 503 . 19 1 1 A 88 88 GLN H H 88 7.670 7.939 -0.269 1
1 504 . 19 1 1 A 88 88 GLN HA H 88 4.040 4.079 -0.039 1
1 511 . 19 1 1 A 88 88 GLN CA C 88 58.500 58.784 -0.284 1
1 512 . 19 1 1 A 88 88 GLN CB C 88 28.270 28.688 -0.418 1
1 514 . 19 1 1 A 88 88 GLN N N 88 119.920 119.426 0.494 1
1 516 . 19 1 1 A 89 89 ALA H H 89 7.950 7.708 0.242 1
1 517 . 19 1 1 A 89 89 ALA HA H 89 2.800 1.417 1.383 1
1 521 . 19 1 1 A 89 89 ALA CA C 89 54.930 54.017 0.913 1
1 522 . 19 1 1 A 89 89 ALA CB C 89 19.340 17.747 1.593 1
1 523 . 19 1 1 A 89 89 ALA N N 89 121.330 121.503 -0.173 1
1 524 . 19 1 1 A 90 90 VAL H H 90 8.030 8.919 -0.889 1
1 525 . 19 1 1 A 90 90 VAL HA H 90 3.370 3.540 -0.170 1
1 533 . 19 1 1 A 90 90 VAL CA C 90 67.090 66.571 0.519 1
1 534 . 19 1 1 A 90 90 VAL CB C 90 32.180 31.658 0.522 1
1 537 . 19 1 1 A 90 90 VAL N N 90 116.630 118.372 -1.742 1
1 538 . 19 1 1 A 91 91 ALA H H 91 7.350 8.160 -0.810 1
1 539 . 19 1 1 A 91 91 ALA HA H 91 4.130 3.912 0.218 1
1 543 . 19 1 1 A 91 91 ALA CA C 91 54.810 55.549 -0.739 1
1 544 . 19 1 1 A 91 91 ALA CB C 91 18.330 18.248 0.082 1
1 545 . 19 1 1 A 91 91 ALA N N 91 119.620 121.331 -1.711 1
1 546 . 19 1 1 A 92 92 GLU H H 92 7.960 7.793 0.167 1
1 547 . 19 1 1 A 92 92 GLU HA H 92 4.360 4.159 0.201 1
1 552 . 19 1 1 A 92 92 GLU CA C 92 57.930 58.646 -0.716 1
1 553 . 19 1 1 A 92 92 GLU CB C 92 30.980 29.773 1.207 1
1 555 . 19 1 1 A 92 92 GLU N N 92 113.770 118.966 -5.196 1
1 556 . 19 1 1 A 93 93 LEU H H 93 8.310 8.567 -0.257 1
1 557 . 19 1 1 A 93 93 LEU HA H 93 4.620 4.114 0.506 1
1 567 . 19 1 1 A 93 93 LEU CA C 93 55.810 57.333 -1.523 1
1 568 . 19 1 1 A 93 93 LEU CB C 93 44.130 41.550 2.580 1
1 572 . 19 1 1 A 93 93 LEU N N 93 114.550 118.511 -3.961 1
1 573 . 19 1 1 A 94 94 ASN H H 94 7.910 8.486 -0.576 1
1 574 . 19 1 1 A 94 94 ASN HA H 94 4.430 4.332 0.098 1
1 577 . 19 1 1 A 94 94 ASN CA C 94 56.690 54.885 1.805 1
1 578 . 19 1 1 A 94 94 ASN N N 94 116.840 117.787 -0.947 1
1 580 . 19 1 1 A 95 95 GLY H H 95 8.890 8.796 0.094 1
1 581 . 19 1 1 A 95 95 GLY HA2 H 95 3.960 3.877 0.083 1
1 582 . 19 1 1 A 95 95 GLY HA3 H 95 4.290 3.880 0.410 1
1 583 . 19 1 1 A 95 95 GLY CA C 95 46.090 46.445 -0.355 1
1 584 . 19 1 1 A 95 95 GLY N N 95 116.350 113.574 2.776 1
1 585 . 19 1 1 A 96 96 THR H H 96 7.860 7.677 0.183 1
1 586 . 19 1 1 A 96 96 THR HA H 96 4.660 4.973 -0.313 1
1 591 . 19 1 1 A 96 96 THR CA C 96 60.880 59.247 1.633 1
1 592 . 19 1 1 A 96 96 THR CB C 96 71.090 72.338 -1.248 1
1 594 . 19 1 1 A 96 96 THR N N 96 113.920 110.802 3.118 1
1 595 . 19 1 1 A 97 97 GLN H H 97 8.360 8.822 -0.462 1
1 596 . 19 1 1 A 97 97 GLN HA H 97 5.210 5.287 -0.077 1
1 602 . 19 1 1 A 97 97 GLN CA C 97 54.170 54.006 0.164 1
1 603 . 19 1 1 A 97 97 GLN CB C 97 30.470 32.386 -1.916 1
1 605 . 19 1 1 A 97 97 GLN N N 97 119.550 122.170 -2.620 1
1 607 . 19 1 1 A 98 98 VAL H H 98 8.900 9.561 -0.661 1
1 608 . 19 1 1 A 98 98 VAL HA H 98 4.200 4.400 -0.200 1
1 616 . 19 1 1 A 98 98 VAL CA C 98 61.350 61.190 0.160 1
1 617 . 19 1 1 A 98 98 VAL CB C 98 33.600 32.404 1.196 1
1 620 . 19 1 1 A 98 98 VAL N N 98 127.260 126.411 0.849 1
1 621 . 19 1 1 A 99 99 GLU H H 99 9.160 8.596 0.564 1
1 622 . 19 1 1 A 99 99 GLU HA H 99 3.820 4.073 -0.253 1
1 625 . 19 1 1 A 99 99 GLU CA C 99 57.950 59.288 -1.338 1
1 626 . 19 1 1 A 99 99 GLU CB C 99 27.110 29.844 -2.734 1
1 628 . 19 1 1 A 99 99 GLU N N 99 124.200 123.528 0.672 1
1 629 . 19 1 1 A 100 100 SER H H 100 8.330 8.000 0.330 1
1 630 . 19 1 1 A 100 100 SER HA H 100 4.280 4.679 -0.399 1
1 633 . 19 1 1 A 100 100 SER CA C 100 59.780 57.744 2.036 1
1 634 . 19 1 1 A 100 100 SER CB C 100 63.300 64.513 -1.213 1
1 635 . 19 1 1 A 100 100 SER N N 100 111.660 111.086 0.574 1
1 636 . 19 1 1 A 101 101 VAL H H 101 8.410 7.564 0.846 1
1 637 . 19 1 1 A 101 101 VAL HA H 101 4.210 4.840 -0.630 1
1 645 . 19 1 1 A 101 101 VAL CA C 101 62.080 59.972 2.108 1
1 646 . 19 1 1 A 101 101 VAL CB C 101 33.200 36.375 -3.175 1
1 649 . 19 1 1 A 101 101 VAL N N 101 124.550 120.268 4.282 1
1 650 . 19 1 1 A 102 102 GLN H H 102 8.510 8.661 -0.151 1
1 651 . 19 1 1 A 102 102 GLN HA H 102 4.590 5.051 -0.461 1
1 658 . 19 1 1 A 102 102 GLN CA C 102 55.090 54.142 0.948 1
1 659 . 19 1 1 A 102 102 GLN CB C 102 28.620 31.319 -2.699 1
1 661 . 19 1 1 A 102 102 GLN N N 102 127.320 124.164 3.156 1
1 663 . 19 1 1 A 103 103 LEU H H 103 8.710 8.712 -0.002 1
1 664 . 19 1 1 A 103 103 LEU HA H 103 5.050 5.153 -0.103 1
1 674 . 19 1 1 A 103 103 LEU CA C 103 54.740 53.436 1.304 1
1 675 . 19 1 1 A 103 103 LEU CB C 103 44.820 44.540 0.280 1
1 679 . 19 1 1 A 103 103 LEU N N 103 126.610 121.244 5.366 1
1 680 . 19 1 1 A 104 104 LYS H H 104 8.690 8.744 -0.054 1
1 681 . 19 1 1 A 104 104 LYS HA H 104 5.030 4.932 0.098 1
1 688 . 19 1 1 A 104 104 LYS CA C 104 55.480 55.212 0.268 1
1 689 . 19 1 1 A 104 104 LYS CB C 104 34.520 33.641 0.879 1
1 693 . 19 1 1 A 104 104 LYS N N 104 124.080 123.455 0.625 1
1 694 . 19 1 1 A 105 105 VAL H H 105 9.050 8.825 0.225 1
1 695 . 19 1 1 A 105 105 VAL HA H 105 5.190 5.330 -0.140 1
1 703 . 19 1 1 A 105 105 VAL CA C 105 60.840 60.515 0.325 1
1 704 . 19 1 1 A 105 105 VAL CB C 105 35.660 33.839 1.821 1
1 707 . 19 1 1 A 105 105 VAL N N 105 123.920 125.265 -1.345 1
1 708 . 19 1 1 A 106 106 ASN H H 106 9.300 10.157 -0.857 1
1 709 . 19 1 1 A 106 106 ASN HA H 106 5.220 5.311 -0.091 1
1 714 . 19 1 1 A 106 106 ASN CA C 106 51.630 51.527 0.103 1
1 715 . 19 1 1 A 106 106 ASN CB C 106 43.840 42.788 1.052 1
1 716 . 19 1 1 A 106 106 ASN N N 106 122.780 125.904 -3.124 1
1 718 . 19 1 1 A 107 107 ILE H H 107 9.050 8.728 0.322 1
1 719 . 19 1 1 A 107 107 ILE HA H 107 4.160 4.869 -0.709 1
1 729 . 19 1 1 A 107 107 ILE CA C 107 61.670 60.266 1.404 1
1 730 . 19 1 1 A 107 107 ILE CB C 107 36.140 39.561 -3.421 1
1 733 . 19 1 1 A 107 107 ILE N N 107 122.980 121.035 1.945 1
1 734 . 19 1 1 A 108 108 ALA H H 108 8.740 8.877 -0.137 1
1 735 . 19 1 1 A 108 108 ALA HA H 108 4.780 4.835 -0.055 1
1 739 . 19 1 1 A 108 108 ALA CA C 108 52.620 50.243 2.377 1
1 740 . 19 1 1 A 108 108 ALA CB C 108 19.570 22.393 -2.823 1
1 741 . 19 1 1 A 108 108 ALA N N 108 131.610 130.111 1.499 1
1 742 . 19 1 1 A 109 109 ARG HA H 109 4.390 4.215 0.175 1
1 746 . 19 1 1 A 109 109 ARG CA C 109 56.120 56.678 -0.558 1
1 747 . 19 1 1 A 109 109 ARG CB C 109 31.010 30.783 0.227 1
1 749 . 19 1 1 A 111 111 GLN HA H 111 4.630 4.243 0.387 1
1 754 . 19 1 1 A 111 111 GLN CA C 111 55.160 55.059 0.101 1
1 755 . 19 1 1 A 111 111 GLN CB C 111 32.900 28.805 4.095 1
1 757 . 19 1 1 A 112 112 PRO HA H 112 4.370 4.486 -0.116 1
1 761 . 19 1 1 A 112 112 PRO CA C 112 64.090 64.452 -0.362 1
1 762 . 19 1 1 A 112 112 PRO CB C 112 32.650 31.993 0.657 1
1 767 . 19 1 1 A 114 114 LEU H H 114 7.710 7.770 -0.060 1
1 768 . 19 1 1 A 114 114 LEU HA H 114 4.440 4.581 -0.141 1
1 777 . 19 1 1 A 114 114 LEU CB C 114 42.640 43.446 -0.806 1
1 780 . 19 1 1 A 114 114 LEU N N 114 123.050 119.162 3.888 1
1 781 . 19 1 1 A 115 115 ASP H H 115 8.440 8.402 0.038 1
1 782 . 19 1 1 A 115 115 ASP HA H 115 4.610 4.289 0.321 1
1 785 . 19 1 1 A 115 115 ASP CA C 115 54.620 55.599 -0.979 1
1 786 . 19 1 1 A 115 115 ASP CB C 115 40.720 39.103 1.617 1
1 787 . 19 1 1 A 115 115 ASP N N 115 119.520 115.574 3.946 1
1 788 . 19 1 1 A 116 116 ALA H H 116 8.060 7.950 0.110 1
1 789 . 19 1 1 A 116 116 ALA HA H 116 4.320 4.433 -0.113 1
1 793 . 19 1 1 A 116 116 ALA CA C 116 53.080 54.816 -1.736 1
1 794 . 19 1 1 A 116 116 ALA CB C 116 19.000 17.924 1.076 1
1 795 . 19 1 1 A 116 116 ALA N N 116 123.460 113.585 9.875 1
1 796 . 19 1 1 A 117 117 ALA H H 117 8.110 8.079 0.031 1
1 797 . 19 1 1 A 117 117 ALA HA H 117 4.640 4.540 0.100 1
1 801 . 19 1 1 A 117 117 ALA CA C 117 52.600 51.636 0.964 1
1 802 . 19 1 1 A 117 117 ALA CB C 117 19.360 19.689 -0.329 1
1 803 . 19 1 1 A 117 117 ALA N N 117 121.130 119.074 2.056 1
1 804 . 19 1 1 A 118 118 THR H H 118 8.060 7.680 0.380 1
1 805 . 19 1 1 A 118 118 THR HA H 118 4.430 4.619 -0.189 1
1 810 . 19 1 1 A 118 118 THR CA C 118 62.130 61.706 0.424 1
1 811 . 19 1 1 A 118 118 THR CB C 118 69.840 70.117 -0.277 1
1 813 . 19 1 1 A 118 118 THR N N 118 112.100 113.125 -1.025 1
1 814 . 19 1 1 A 119 119 GLY H H 119 8.430 8.387 0.043 1
1 815 . 19 1 1 A 119 119 GLY N N 119 111.230 110.035 1.195 1
1 816 . 19 1 1 A 120 120 LYS H H 120 8.200 7.959 0.241 1
1 817 . 19 1 1 A 120 120 LYS HA H 120 4.510 4.005 0.505 1
1 821 . 19 1 1 A 120 120 LYS CA C 120 56.110 59.428 -3.318 1
1 822 . 19 1 1 A 120 120 LYS CB C 120 33.270 32.277 0.993 1
1 823 . 19 1 1 A 120 120 LYS N N 120 121.180 121.853 -0.673 1
1 17 . 20 1 1 A 37 37 ARG H H 37 8.370 8.582 -0.212 1
1 18 . 20 1 1 A 37 37 ARG N N 37 121.030 121.981 -0.951 1
1 19 . 20 1 1 A 38 38 LYS H H 38 8.150 9.085 -0.935 1
1 20 . 20 1 1 A 38 38 LYS HA H 38 4.750 4.360 0.390 1
1 25 . 20 1 1 A 38 38 LYS CA C 38 54.190 58.437 -4.247 1
1 26 . 20 1 1 A 38 38 LYS CB C 38 35.040 31.238 3.802 1
1 27 . 20 1 1 A 38 38 LYS N N 38 119.860 119.445 0.415 1
1 28 . 20 1 1 A 39 39 GLY H H 39 8.710 8.688 0.022 1
1 29 . 20 1 1 A 39 39 GLY HA3 H 39 4.050 4.253 -0.203 1
1 30 . 20 1 1 A 39 39 GLY CA C 39 45.460 45.546 -0.086 1
1 31 . 20 1 1 A 39 39 GLY N N 39 107.990 108.699 -0.709 1
1 32 . 20 1 1 A 40 40 ASN H H 40 8.300 9.756 -1.456 1
1 33 . 20 1 1 A 40 40 ASN HA H 40 4.850 5.028 -0.178 1
1 38 . 20 1 1 A 40 40 ASN CA C 40 54.110 53.112 0.998 1
1 39 . 20 1 1 A 40 40 ASN CB C 40 37.840 39.097 -1.257 1
1 40 . 20 1 1 A 40 40 ASN N N 40 115.650 121.318 -5.668 1
1 42 . 20 1 1 A 41 41 THR HA H 41 5.400 5.089 0.311 1
1 47 . 20 1 1 A 41 41 THR CA C 41 63.410 62.647 0.763 1
1 48 . 20 1 1 A 41 41 THR CB C 41 69.930 70.153 -0.223 1
1 50 . 20 1 1 A 42 42 LEU H H 42 9.900 8.791 1.109 1
1 51 . 20 1 1 A 42 42 LEU HA H 42 5.090 5.113 -0.023 1
1 61 . 20 1 1 A 42 42 LEU CA C 42 53.260 53.733 -0.473 1
1 62 . 20 1 1 A 42 42 LEU CB C 42 43.590 45.261 -1.671 1
1 66 . 20 1 1 A 42 42 LEU N N 42 127.870 124.606 3.264 1
1 67 . 20 1 1 A 43 43 TYR H H 43 9.190 9.033 0.157 1
1 68 . 20 1 1 A 43 43 TYR HA H 43 4.420 4.964 -0.544 1
1 71 . 20 1 1 A 43 43 TYR CB C 43 40.310 40.696 -0.386 1
1 72 . 20 1 1 A 43 43 TYR N N 43 124.140 125.018 -0.878 1
1 73 . 20 1 1 A 44 44 VAL H H 44 7.980 8.526 -0.546 1
1 74 . 20 1 1 A 44 44 VAL HA H 44 4.810 5.244 -0.434 1
1 82 . 20 1 1 A 44 44 VAL CA C 44 59.320 60.982 -1.662 1
1 83 . 20 1 1 A 44 44 VAL CB C 44 34.360 33.627 0.733 1
1 86 . 20 1 1 A 44 44 VAL N N 44 127.360 127.528 -0.168 1
1 87 . 20 1 1 A 45 45 TYR H H 45 9.020 8.710 0.310 1
1 88 . 20 1 1 A 45 45 TYR HA H 45 4.980 5.311 -0.331 1
1 94 . 20 1 1 A 45 45 TYR CA C 45 55.680 55.614 0.066 1
1 95 . 20 1 1 A 45 45 TYR CB C 45 42.210 42.107 0.103 1
1 96 . 20 1 1 A 45 45 TYR N N 45 126.390 128.103 -1.713 1
1 97 . 20 1 1 A 46 46 GLY H H 46 7.510 7.363 0.147 1
1 98 . 20 1 1 A 46 46 GLY HA2 H 46 3.830 3.992 -0.162 1
1 99 . 20 1 1 A 46 46 GLY HA3 H 46 3.830 4.022 -0.192 1
1 100 . 20 1 1 A 46 46 GLY CA C 46 45.360 45.654 -0.294 1
1 101 . 20 1 1 A 46 46 GLY N N 46 114.220 110.681 3.539 1
1 102 . 20 1 1 A 47 47 GLU H H 47 8.750 8.616 0.134 1
1 103 . 20 1 1 A 47 47 GLU HA H 47 3.990 4.552 -0.562 1
1 108 . 20 1 1 A 47 47 GLU CA C 47 56.720 54.927 1.793 1
1 109 . 20 1 1 A 47 47 GLU CB C 47 30.460 32.320 -1.860 1
1 111 . 20 1 1 A 47 47 GLU N N 47 123.880 119.789 4.091 1
1 112 . 20 1 1 A 48 48 ASP H H 48 8.540 8.666 -0.126 1
1 113 . 20 1 1 A 48 48 ASP HA H 48 4.250 4.037 0.213 1
1 116 . 20 1 1 A 48 48 ASP CA C 48 55.210 55.073 0.137 1
1 117 . 20 1 1 A 48 48 ASP CB C 48 39.150 39.460 -0.310 1
1 118 . 20 1 1 A 48 48 ASP N N 48 117.200 117.950 -0.750 1
1 119 . 20 1 1 A 49 49 MET H H 49 8.190 7.931 0.259 1
1 120 . 20 1 1 A 49 49 MET HA H 49 4.120 4.640 -0.520 1
1 126 . 20 1 1 A 49 49 MET CA C 49 57.510 54.038 3.472 1
1 127 . 20 1 1 A 49 49 MET CB C 49 34.620 32.918 1.702 1
1 129 . 20 1 1 A 49 49 MET N N 49 114.560 118.210 -3.650 1
1 130 . 20 1 1 A 50 50 THR H H 50 6.510 8.421 -1.911 1
1 131 . 20 1 1 A 50 50 THR HA H 50 5.020 4.905 0.115 1
1 136 . 20 1 1 A 50 50 THR CA C 50 57.960 58.382 -0.422 1
1 137 . 20 1 1 A 50 50 THR CB C 50 70.150 69.567 0.583 1
1 139 . 20 1 1 A 50 50 THR N N 50 108.060 115.376 -7.316 1
1 140 . 20 1 1 A 51 51 PRO HA H 51 4.340 4.236 0.104 1
1 146 . 20 1 1 A 51 51 PRO CA C 51 65.790 65.431 0.359 1
1 147 . 20 1 1 A 51 51 PRO CB C 51 31.780 31.984 -0.204 1
1 150 . 20 1 1 A 52 52 THR H H 52 7.640 7.774 -0.134 1
1 151 . 20 1 1 A 52 52 THR HA H 52 3.980 4.011 -0.031 1
1 156 . 20 1 1 A 52 52 THR CA C 52 66.160 65.648 0.512 1
1 157 . 20 1 1 A 52 52 THR CB C 52 68.430 68.253 0.177 1
1 159 . 20 1 1 A 52 52 THR N N 52 111.520 113.206 -1.686 1
1 160 . 20 1 1 A 53 53 LEU H H 53 7.810 8.085 -0.275 1
1 161 . 20 1 1 A 53 53 LEU HA H 53 4.130 4.026 0.104 1
1 171 . 20 1 1 A 53 53 LEU CA C 53 58.360 58.428 -0.068 1
1 172 . 20 1 1 A 53 53 LEU CB C 53 42.970 41.636 1.334 1
1 176 . 20 1 1 A 53 53 LEU N N 53 125.410 121.581 3.829 1
1 177 . 20 1 1 A 54 54 LEU H H 54 7.840 8.167 -0.327 1
1 178 . 20 1 1 A 54 54 LEU HA H 54 4.260 4.009 0.251 1
1 188 . 20 1 1 A 54 54 LEU CA C 54 57.580 58.260 -0.680 1
1 189 . 20 1 1 A 54 54 LEU CB C 54 42.330 41.463 0.867 1
1 193 . 20 1 1 A 54 54 LEU N N 54 117.150 118.862 -1.712 1
1 194 . 20 1 1 A 55 55 ARG H H 55 9.020 8.543 0.477 1
1 195 . 20 1 1 A 55 55 ARG HA H 55 3.880 4.008 -0.128 1
1 202 . 20 1 1 A 55 55 ARG CA C 55 60.890 59.934 0.956 1
1 203 . 20 1 1 A 55 55 ARG CB C 55 29.580 29.909 -0.329 1
1 206 . 20 1 1 A 55 55 ARG N N 55 120.050 119.290 0.760 1
1 207 . 20 1 1 A 56 56 GLY H H 56 8.180 8.175 0.005 1
1 208 . 20 1 1 A 56 56 GLY HA2 H 56 3.940 3.896 0.044 1
1 209 . 20 1 1 A 56 56 GLY HA3 H 56 4.100 3.912 0.188 1
1 210 . 20 1 1 A 56 56 GLY CA C 56 47.210 47.107 0.103 1
1 211 . 20 1 1 A 56 56 GLY N N 56 106.700 107.051 -0.351 1
1 212 . 20 1 1 A 57 57 ALA H H 57 7.830 7.950 -0.120 1
1 213 . 20 1 1 A 57 57 ALA HA H 57 4.360 4.090 0.270 1
1 217 . 20 1 1 A 57 57 ALA CA C 57 53.590 54.464 -0.874 1
1 218 . 20 1 1 A 57 57 ALA CB C 57 19.050 18.272 0.778 1
1 219 . 20 1 1 A 57 57 ALA N N 57 120.270 124.887 -4.617 1
1 220 . 20 1 1 A 58 58 PHE H H 58 8.600 8.418 0.182 1
1 221 . 20 1 1 A 58 58 PHE HA H 58 4.790 5.456 -0.666 1
1 227 . 20 1 1 A 58 58 PHE CA C 58 60.210 57.583 2.627 1
1 228 . 20 1 1 A 58 58 PHE CB C 58 38.390 39.428 -1.038 1
1 229 . 20 1 1 A 58 58 PHE N N 58 110.250 116.243 -5.993 1
1 230 . 20 1 1 A 59 59 SER H H 59 8.610 7.905 0.705 1
1 231 . 20 1 1 A 59 59 SER HA H 59 4.810 4.420 0.390 1
1 234 . 20 1 1 A 59 59 SER CA C 59 63.540 62.980 0.560 1
1 235 . 20 1 1 A 59 59 SER CB C 59 62.910 62.595 0.315 1
1 236 . 20 1 1 A 59 59 SER N N 59 122.860 116.646 6.214 1
1 237 . 20 1 1 A 60 60 PRO HA H 60 4.280 4.365 -0.085 1
1 244 . 20 1 1 A 60 60 PRO CA C 60 65.680 65.531 0.149 1
1 245 . 20 1 1 A 60 60 PRO CB C 60 31.420 30.981 0.439 1
1 248 . 20 1 1 A 61 61 PHE H H 61 6.850 8.759 -1.909 1
1 249 . 20 1 1 A 61 61 PHE HA H 61 4.510 4.272 0.238 1
1 257 . 20 1 1 A 61 61 PHE CA C 61 58.310 60.614 -2.304 1
1 258 . 20 1 1 A 61 61 PHE CB C 61 38.920 38.972 -0.052 1
1 259 . 20 1 1 A 61 61 PHE N N 61 109.700 116.568 -6.868 1
1 260 . 20 1 1 A 62 62 GLY H H 62 7.800 7.564 0.236 1
1 261 . 20 1 1 A 62 62 GLY HA2 H 62 4.090 3.915 0.175 1
1 262 . 20 1 1 A 62 62 GLY HA3 H 62 4.290 4.087 0.203 1
1 263 . 20 1 1 A 62 62 GLY CA C 62 45.290 45.877 -0.587 1
1 264 . 20 1 1 A 62 62 GLY N N 62 106.520 103.827 2.693 1
1 265 . 20 1 1 A 63 63 ASN H H 63 8.520 8.595 -0.075 1
1 266 . 20 1 1 A 63 63 ASN HA H 63 4.920 5.240 -0.320 1
1 271 . 20 1 1 A 63 63 ASN CA C 63 52.930 52.992 -0.062 1
1 272 . 20 1 1 A 63 63 ASN CB C 63 38.630 40.029 -1.399 1
1 273 . 20 1 1 A 63 63 ASN N N 63 117.020 118.682 -1.662 1
1 275 . 20 1 1 A 64 64 ILE H H 64 8.750 9.044 -0.294 1
1 276 . 20 1 1 A 64 64 ILE HA H 64 4.100 4.893 -0.793 1
1 286 . 20 1 1 A 64 64 ILE CA C 64 61.940 60.431 1.509 1
1 287 . 20 1 1 A 64 64 ILE CB C 64 38.780 39.004 -0.224 1
1 291 . 20 1 1 A 64 64 ILE N N 64 127.930 123.230 4.700 1
1 292 . 20 1 1 A 65 65 ILE H H 65 8.910 8.734 0.176 1
1 293 . 20 1 1 A 65 65 ILE HA H 65 4.490 4.395 0.095 1
1 303 . 20 1 1 A 65 65 ILE CA C 65 61.310 61.515 -0.205 1
1 304 . 20 1 1 A 65 65 ILE CB C 65 38.470 38.859 -0.389 1
1 308 . 20 1 1 A 65 65 ILE N N 65 124.530 122.514 2.016 1
1 309 . 20 1 1 A 66 66 ASP H H 66 7.520 7.813 -0.293 1
1 310 . 20 1 1 A 66 66 ASP HA H 66 4.700 5.166 -0.466 1
1 313 . 20 1 1 A 66 66 ASP CA C 66 55.520 53.371 2.149 1
1 314 . 20 1 1 A 66 66 ASP CB C 66 45.290 44.757 0.533 1
1 315 . 20 1 1 A 66 66 ASP N N 66 119.140 120.835 -1.695 1
1 316 . 20 1 1 A 67 67 LEU H H 67 8.230 8.995 -0.765 1
1 317 . 20 1 1 A 67 67 LEU HA H 67 4.980 4.991 -0.011 1
1 326 . 20 1 1 A 67 67 LEU CA C 67 54.980 53.733 1.247 1
1 327 . 20 1 1 A 67 67 LEU CB C 67 44.440 44.694 -0.254 1
1 330 . 20 1 1 A 67 67 LEU N N 67 127.890 125.558 2.332 1
1 331 . 20 1 1 A 68 68 SER H H 68 8.810 9.293 -0.483 1
1 332 . 20 1 1 A 68 68 SER HA H 68 4.970 5.294 -0.324 1
1 335 . 20 1 1 A 68 68 SER CA C 68 57.170 57.255 -0.085 1
1 336 . 20 1 1 A 68 68 SER CB C 68 65.320 65.058 0.262 1
1 337 . 20 1 1 A 68 68 SER N N 68 122.560 124.453 -1.893 1
1 338 . 20 1 1 A 69 69 MET H H 69 9.050 8.934 0.116 1
1 339 . 20 1 1 A 69 69 MET HA H 69 4.740 5.263 -0.523 1
1 345 . 20 1 1 A 69 69 MET CA C 69 54.520 53.986 0.534 1
1 348 . 20 1 1 A 69 69 MET N N 69 122.420 123.950 -1.530 1
1 349 . 20 1 1 A 70 70 ASP H H 70 8.620 8.816 -0.196 1
1 350 . 20 1 1 A 70 70 ASP HA H 70 5.140 5.404 -0.264 1
1 353 . 20 1 1 A 70 70 ASP CA C 70 51.410 50.931 0.479 1
1 354 . 20 1 1 A 70 70 ASP CB C 70 40.930 42.442 -1.512 1
1 355 . 20 1 1 A 70 70 ASP N N 70 120.620 122.408 -1.788 1
1 356 . 20 1 1 A 71 71 PRO HA H 71 4.760 4.366 0.394 1
1 359 . 20 1 1 A 71 71 PRO CA C 71 66.380 64.382 1.998 1
1 361 . 20 1 1 A 72 72 PRO HA H 72 4.520 4.386 0.134 1
1 368 . 20 1 1 A 72 72 PRO CA C 72 65.750 65.076 0.674 1
1 369 . 20 1 1 A 72 72 PRO CB C 72 31.570 31.495 0.075 1
1 371 . 20 1 1 A 73 73 ARG H H 73 7.360 7.529 -0.169 1
1 372 . 20 1 1 A 73 73 ARG HA H 73 4.570 4.552 0.018 1
1 378 . 20 1 1 A 73 73 ARG CA C 73 55.160 55.059 0.101 1
1 379 . 20 1 1 A 73 73 ARG CB C 73 29.000 30.928 -1.928 1
1 382 . 20 1 1 A 73 73 ARG N N 73 114.560 116.726 -2.166 1
1 383 . 20 1 1 A 74 74 ASN H H 74 8.440 7.986 0.454 1
1 384 . 20 1 1 A 74 74 ASN HA H 74 4.270 4.108 0.162 1
1 389 . 20 1 1 A 74 74 ASN CA C 74 53.830 54.461 -0.631 1
1 390 . 20 1 1 A 74 74 ASN CB C 74 37.500 36.412 1.088 1
1 391 . 20 1 1 A 74 74 ASN N N 74 115.460 114.859 0.601 1
1 393 . 20 1 1 A 75 75 CYS H H 75 7.270 7.671 -0.401 1
1 394 . 20 1 1 A 75 75 CYS HA H 75 5.730 5.079 0.651 1
1 396 . 20 1 1 A 75 75 CYS CA C 75 55.420 56.700 -1.280 1
1 397 . 20 1 1 A 75 75 CYS CB C 75 32.640 30.751 1.889 1
1 398 . 20 1 1 A 75 75 CYS N N 75 127.180 113.179 14.001 1
1 399 . 20 1 1 A 76 76 ALA H H 76 8.590 8.443 0.147 1
1 403 . 20 1 1 A 76 76 ALA CB C 76 24.400 23.213 1.187 1
1 404 . 20 1 1 A 76 76 ALA N N 76 122.120 123.608 -1.488 1
1 405 . 20 1 1 A 77 77 PHE H H 77 8.780 9.727 -0.947 1
1 406 . 20 1 1 A 77 77 PHE HA H 77 5.620 5.635 -0.015 1
1 407 . 20 1 1 A 77 77 PHE CA C 77 55.850 56.748 -0.898 1
1 408 . 20 1 1 A 77 77 PHE N N 77 115.390 117.629 -2.239 1
1 409 . 20 1 1 A 78 78 VAL H H 78 8.580 8.607 -0.027 1
1 410 . 20 1 1 A 78 78 VAL HA H 78 4.300 4.699 -0.399 1
1 418 . 20 1 1 A 78 78 VAL CA C 78 60.960 60.483 0.477 1
1 419 . 20 1 1 A 78 78 VAL CB C 78 34.360 34.407 -0.047 1
1 422 . 20 1 1 A 78 78 VAL N N 78 126.440 122.681 3.759 1
1 423 . 20 1 1 A 79 79 THR H H 79 8.960 8.346 0.614 1
1 424 . 20 1 1 A 79 79 THR HA H 79 5.330 5.439 -0.109 1
1 429 . 20 1 1 A 79 79 THR CA C 79 61.940 61.664 0.276 1
1 430 . 20 1 1 A 79 79 THR CB C 79 69.910 70.420 -0.510 1
1 432 . 20 1 1 A 79 79 THR N N 79 123.990 123.430 0.560 1
1 433 . 20 1 1 A 80 80 TYR H H 80 8.880 9.758 -0.878 1
1 434 . 20 1 1 A 80 80 TYR HA H 80 5.400 5.097 0.303 1
1 437 . 20 1 1 A 80 80 TYR CA C 80 57.660 56.921 0.739 1
1 438 . 20 1 1 A 80 80 TYR CB C 80 42.220 41.048 1.172 1
1 439 . 20 1 1 A 80 80 TYR N N 80 126.670 125.615 1.055 1
1 440 . 20 1 1 A 81 81 GLU H H 81 8.490 8.812 -0.322 1
1 441 . 20 1 1 A 81 81 GLU HA H 81 4.110 4.242 -0.132 1
1 446 . 20 1 1 A 81 81 GLU CA C 81 59.290 58.789 0.501 1
1 447 . 20 1 1 A 81 81 GLU CB C 81 31.210 30.251 0.959 1
1 449 . 20 1 1 A 81 81 GLU N N 81 119.690 123.102 -3.412 1
1 450 . 20 1 1 A 82 82 LYS H H 82 8.460 7.686 0.774 1
1 451 . 20 1 1 A 82 82 LYS HA H 82 5.020 4.705 0.315 1
1 457 . 20 1 1 A 82 82 LYS CA C 82 54.140 54.763 -0.623 1
1 458 . 20 1 1 A 82 82 LYS CB C 82 34.420 35.472 -1.052 1
1 462 . 20 1 1 A 82 82 LYS N N 82 113.920 117.592 -3.672 1
1 463 . 20 1 1 A 83 83 MET H H 83 9.100 9.114 -0.014 1
1 464 . 20 1 1 A 83 83 MET HA H 83 4.070 4.238 -0.168 1
1 468 . 20 1 1 A 83 83 MET CA C 83 59.570 58.174 1.396 1
1 469 . 20 1 1 A 83 83 MET CB C 83 32.420 31.327 1.093 1
1 471 . 20 1 1 A 83 83 MET N N 83 122.530 122.123 0.407 1
1 472 . 20 1 1 A 84 84 GLU H H 84 9.690 7.854 1.836 1
1 473 . 20 1 1 A 84 84 GLU HA H 84 4.240 4.058 0.182 1
1 477 . 20 1 1 A 84 84 GLU CA C 84 60.040 59.217 0.823 1
1 478 . 20 1 1 A 84 84 GLU CB C 84 28.640 29.451 -0.811 1
1 480 . 20 1 1 A 84 84 GLU N N 84 117.940 119.984 -2.044 1
1 481 . 20 1 1 A 85 85 SER H H 85 7.110 7.483 -0.373 1
1 482 . 20 1 1 A 85 85 SER HA H 85 4.130 3.926 0.204 1
1 485 . 20 1 1 A 85 85 SER CA C 85 61.840 61.295 0.545 1
1 486 . 20 1 1 A 85 85 SER CB C 85 62.400 62.261 0.139 1
1 487 . 20 1 1 A 85 85 SER N N 85 115.500 116.186 -0.686 1
1 488 . 20 1 1 A 86 86 ALA H H 86 6.860 7.623 -0.763 1
1 489 . 20 1 1 A 86 86 ALA HA H 86 4.080 4.378 -0.298 1
1 493 . 20 1 1 A 86 86 ALA CA C 86 55.210 55.572 -0.362 1
1 494 . 20 1 1 A 86 86 ALA CB C 86 18.070 18.073 -0.003 1
1 495 . 20 1 1 A 86 86 ALA N N 86 122.760 122.578 0.182 1
1 496 . 20 1 1 A 87 87 ASP H H 87 7.680 7.988 -0.308 1
1 497 . 20 1 1 A 87 87 ASP HA H 87 4.390 4.401 -0.011 1
1 500 . 20 1 1 A 87 87 ASP CA C 87 57.470 57.351 0.119 1
1 501 . 20 1 1 A 87 87 ASP CB C 87 40.850 41.053 -0.203 1
1 502 . 20 1 1 A 87 87 ASP N N 87 115.980 118.264 -2.284 1
1 503 . 20 1 1 A 88 88 GLN H H 88 7.670 8.134 -0.464 1
1 504 . 20 1 1 A 88 88 GLN HA H 88 4.040 4.103 -0.063 1
1 511 . 20 1 1 A 88 88 GLN CA C 88 58.500 58.804 -0.304 1
1 512 . 20 1 1 A 88 88 GLN CB C 88 28.270 28.896 -0.626 1
1 514 . 20 1 1 A 88 88 GLN N N 88 119.920 119.374 0.546 1
1 516 . 20 1 1 A 89 89 ALA H H 89 7.950 8.013 -0.063 1
1 517 . 20 1 1 A 89 89 ALA HA H 89 2.800 2.509 0.291 1
1 521 . 20 1 1 A 89 89 ALA CA C 89 54.930 54.371 0.559 1
1 522 . 20 1 1 A 89 89 ALA CB C 89 19.340 17.734 1.606 1
1 523 . 20 1 1 A 89 89 ALA N N 89 121.330 121.584 -0.254 1
1 524 . 20 1 1 A 90 90 VAL H H 90 8.030 8.665 -0.635 1
1 525 . 20 1 1 A 90 90 VAL HA H 90 3.370 3.614 -0.244 1
1 533 . 20 1 1 A 90 90 VAL CA C 90 67.090 66.286 0.804 1
1 534 . 20 1 1 A 90 90 VAL CB C 90 32.180 31.544 0.636 1
1 537 . 20 1 1 A 90 90 VAL N N 90 116.630 118.401 -1.771 1
1 538 . 20 1 1 A 91 91 ALA H H 91 7.350 7.800 -0.450 1
1 539 . 20 1 1 A 91 91 ALA HA H 91 4.130 4.120 0.010 1
1 543 . 20 1 1 A 91 91 ALA CA C 91 54.810 55.136 -0.326 1
1 544 . 20 1 1 A 91 91 ALA CB C 91 18.330 18.871 -0.541 1
1 545 . 20 1 1 A 91 91 ALA N N 91 119.620 121.967 -2.347 1
1 546 . 20 1 1 A 92 92 GLU H H 92 7.960 8.081 -0.121 1
1 547 . 20 1 1 A 92 92 GLU HA H 92 4.360 4.054 0.306 1
1 552 . 20 1 1 A 92 92 GLU CA C 92 57.930 59.675 -1.745 1
1 553 . 20 1 1 A 92 92 GLU CB C 92 30.980 30.678 0.302 1
1 555 . 20 1 1 A 92 92 GLU N N 92 113.770 118.330 -4.560 1
1 556 . 20 1 1 A 93 93 LEU H H 93 8.310 8.162 0.148 1
1 557 . 20 1 1 A 93 93 LEU HA H 93 4.620 4.088 0.532 1
1 567 . 20 1 1 A 93 93 LEU CA C 93 55.810 56.867 -1.057 1
1 568 . 20 1 1 A 93 93 LEU CB C 93 44.130 42.076 2.054 1
1 572 . 20 1 1 A 93 93 LEU N N 93 114.550 119.366 -4.816 1
1 573 . 20 1 1 A 94 94 ASN H H 94 7.910 7.617 0.293 1
1 574 . 20 1 1 A 94 94 ASN HA H 94 4.430 4.364 0.066 1
1 577 . 20 1 1 A 94 94 ASN CA C 94 56.690 54.642 2.048 1
1 578 . 20 1 1 A 94 94 ASN N N 94 116.840 117.641 -0.801 1
1 580 . 20 1 1 A 95 95 GLY H H 95 8.890 8.863 0.027 1
1 581 . 20 1 1 A 95 95 GLY HA2 H 95 3.960 3.948 0.012 1
1 582 . 20 1 1 A 95 95 GLY HA3 H 95 4.290 3.951 0.339 1
1 583 . 20 1 1 A 95 95 GLY CA C 95 46.090 45.734 0.356 1
1 584 . 20 1 1 A 95 95 GLY N N 95 116.350 113.841 2.509 1
1 585 . 20 1 1 A 96 96 THR H H 96 7.860 7.747 0.113 1
1 586 . 20 1 1 A 96 96 THR HA H 96 4.660 4.960 -0.300 1
1 591 . 20 1 1 A 96 96 THR CA C 96 60.880 59.311 1.569 1
1 592 . 20 1 1 A 96 96 THR CB C 96 71.090 72.094 -1.004 1
1 594 . 20 1 1 A 96 96 THR N N 96 113.920 111.003 2.917 1
1 595 . 20 1 1 A 97 97 GLN H H 97 8.360 8.723 -0.363 1
1 596 . 20 1 1 A 97 97 GLN HA H 97 5.210 5.083 0.127 1
1 602 . 20 1 1 A 97 97 GLN CA C 97 54.170 53.936 0.234 1
1 603 . 20 1 1 A 97 97 GLN CB C 97 30.470 32.461 -1.991 1
1 605 . 20 1 1 A 97 97 GLN N N 97 119.550 121.443 -1.893 1
1 607 . 20 1 1 A 98 98 VAL H H 98 8.900 9.305 -0.405 1
1 608 . 20 1 1 A 98 98 VAL HA H 98 4.200 4.468 -0.268 1
1 616 . 20 1 1 A 98 98 VAL CA C 98 61.350 60.796 0.554 1
1 617 . 20 1 1 A 98 98 VAL CB C 98 33.600 32.925 0.675 1
1 620 . 20 1 1 A 98 98 VAL N N 98 127.260 124.821 2.439 1
1 621 . 20 1 1 A 99 99 GLU H H 99 9.160 8.591 0.569 1
1 622 . 20 1 1 A 99 99 GLU HA H 99 3.820 4.071 -0.251 1
1 625 . 20 1 1 A 99 99 GLU CA C 99 57.950 59.391 -1.441 1
1 626 . 20 1 1 A 99 99 GLU CB C 99 27.110 29.863 -2.753 1
1 628 . 20 1 1 A 99 99 GLU N N 99 124.200 123.513 0.687 1
1 629 . 20 1 1 A 100 100 SER H H 100 8.330 7.875 0.455 1
1 630 . 20 1 1 A 100 100 SER HA H 100 4.280 4.683 -0.403 1
1 633 . 20 1 1 A 100 100 SER CA C 100 59.780 57.408 2.372 1
1 634 . 20 1 1 A 100 100 SER CB C 100 63.300 64.280 -0.980 1
1 635 . 20 1 1 A 100 100 SER N N 100 111.660 113.383 -1.723 1
1 636 . 20 1 1 A 101 101 VAL H H 101 8.410 7.610 0.800 1
1 637 . 20 1 1 A 101 101 VAL HA H 101 4.210 4.836 -0.626 1
1 645 . 20 1 1 A 101 101 VAL CA C 101 62.080 60.470 1.610 1
1 646 . 20 1 1 A 101 101 VAL CB C 101 33.200 36.452 -3.252 1
1 649 . 20 1 1 A 101 101 VAL N N 101 124.550 121.645 2.905 1
1 650 . 20 1 1 A 102 102 GLN H H 102 8.510 8.597 -0.087 1
1 651 . 20 1 1 A 102 102 GLN HA H 102 4.590 4.787 -0.197 1
1 658 . 20 1 1 A 102 102 GLN CA C 102 55.090 55.294 -0.204 1
1 659 . 20 1 1 A 102 102 GLN CB C 102 28.620 30.688 -2.068 1
1 661 . 20 1 1 A 102 102 GLN N N 102 127.320 125.330 1.990 1
1 663 . 20 1 1 A 103 103 LEU H H 103 8.710 8.793 -0.083 1
1 664 . 20 1 1 A 103 103 LEU HA H 103 5.050 5.106 -0.056 1
1 674 . 20 1 1 A 103 103 LEU CA C 103 54.740 53.282 1.458 1
1 675 . 20 1 1 A 103 103 LEU CB C 103 44.820 44.605 0.215 1
1 679 . 20 1 1 A 103 103 LEU N N 103 126.610 124.182 2.428 1
1 680 . 20 1 1 A 104 104 LYS H H 104 8.690 8.717 -0.027 1
1 681 . 20 1 1 A 104 104 LYS HA H 104 5.030 5.113 -0.083 1
1 688 . 20 1 1 A 104 104 LYS CA C 104 55.480 54.926 0.554 1
1 689 . 20 1 1 A 104 104 LYS CB C 104 34.520 35.257 -0.737 1
1 693 . 20 1 1 A 104 104 LYS N N 104 124.080 122.950 1.130 1
1 694 . 20 1 1 A 105 105 VAL H H 105 9.050 8.879 0.171 1
1 695 . 20 1 1 A 105 105 VAL HA H 105 5.190 5.214 -0.024 1
1 703 . 20 1 1 A 105 105 VAL CA C 105 60.840 60.687 0.153 1
1 704 . 20 1 1 A 105 105 VAL CB C 105 35.660 34.917 0.743 1
1 707 . 20 1 1 A 105 105 VAL N N 105 123.920 123.565 0.355 1
1 708 . 20 1 1 A 106 106 ASN H H 106 9.300 8.783 0.517 1
1 709 . 20 1 1 A 106 106 ASN HA H 106 5.220 5.275 -0.055 1
1 714 . 20 1 1 A 106 106 ASN CA C 106 51.630 51.972 -0.342 1
1 715 . 20 1 1 A 106 106 ASN CB C 106 43.840 42.597 1.243 1
1 716 . 20 1 1 A 106 106 ASN N N 106 122.780 122.687 0.093 1
1 718 . 20 1 1 A 107 107 ILE H H 107 9.050 8.913 0.137 1
1 719 . 20 1 1 A 107 107 ILE HA H 107 4.160 4.971 -0.811 1
1 729 . 20 1 1 A 107 107 ILE CA C 107 61.670 60.256 1.414 1
1 730 . 20 1 1 A 107 107 ILE CB C 107 36.140 39.584 -3.444 1
1 733 . 20 1 1 A 107 107 ILE N N 107 122.980 120.942 2.038 1
1 734 . 20 1 1 A 108 108 ALA H H 108 8.740 8.220 0.520 1
1 735 . 20 1 1 A 108 108 ALA HA H 108 4.780 4.626 0.154 1
1 739 . 20 1 1 A 108 108 ALA CA C 108 52.620 50.517 2.103 1
1 740 . 20 1 1 A 108 108 ALA CB C 108 19.570 20.446 -0.876 1
1 741 . 20 1 1 A 108 108 ALA N N 108 131.610 131.416 0.194 1
1 742 . 20 1 1 A 109 109 ARG HA H 109 4.390 4.235 0.155 1
1 746 . 20 1 1 A 109 109 ARG CA C 109 56.120 56.555 -0.435 1
1 747 . 20 1 1 A 109 109 ARG CB C 109 31.010 31.181 -0.171 1
1 749 . 20 1 1 A 111 111 GLN HA H 111 4.630 3.993 0.637 1
1 754 . 20 1 1 A 111 111 GLN CA C 111 55.160 56.595 -1.435 1
1 755 . 20 1 1 A 111 111 GLN CB C 111 32.900 27.369 5.531 1
1 757 . 20 1 1 A 112 112 PRO HA H 112 4.370 4.392 -0.022 1
1 761 . 20 1 1 A 112 112 PRO CA C 112 64.090 64.580 -0.490 1
1 762 . 20 1 1 A 112 112 PRO CB C 112 32.650 32.004 0.646 1
1 767 . 20 1 1 A 114 114 LEU H H 114 7.710 7.422 0.288 1
1 768 . 20 1 1 A 114 114 LEU HA H 114 4.440 4.574 -0.134 1
1 777 . 20 1 1 A 114 114 LEU CB C 114 42.640 43.364 -0.724 1
1 780 . 20 1 1 A 114 114 LEU N N 114 123.050 119.185 3.865 1
1 781 . 20 1 1 A 115 115 ASP H H 115 8.440 8.287 0.153 1
1 782 . 20 1 1 A 115 115 ASP HA H 115 4.610 4.301 0.309 1
1 785 . 20 1 1 A 115 115 ASP CA C 115 54.620 55.581 -0.961 1
1 786 . 20 1 1 A 115 115 ASP CB C 115 40.720 39.049 1.671 1
1 787 . 20 1 1 A 115 115 ASP N N 115 119.520 115.480 4.040 1
1 788 . 20 1 1 A 116 116 ALA H H 116 8.060 8.145 -0.085 1
1 789 . 20 1 1 A 116 116 ALA HA H 116 4.320 4.262 0.058 1
1 793 . 20 1 1 A 116 116 ALA CA C 116 53.080 54.841 -1.761 1
1 794 . 20 1 1 A 116 116 ALA CB C 116 19.000 17.968 1.032 1
1 795 . 20 1 1 A 116 116 ALA N N 116 123.460 113.489 9.971 1
1 796 . 20 1 1 A 117 117 ALA H H 117 8.110 8.043 0.067 1
1 797 . 20 1 1 A 117 117 ALA HA H 117 4.640 4.504 0.136 1
1 801 . 20 1 1 A 117 117 ALA CA C 117 52.600 51.863 0.737 1
1 802 . 20 1 1 A 117 117 ALA CB C 117 19.360 18.854 0.506 1
1 803 . 20 1 1 A 117 117 ALA N N 117 121.130 118.399 2.731 1
1 804 . 20 1 1 A 118 118 THR H H 118 8.060 8.412 -0.352 1
1 805 . 20 1 1 A 118 118 THR HA H 118 4.430 4.898 -0.468 1
1 810 . 20 1 1 A 118 118 THR CA C 118 62.130 59.571 2.559 1
1 811 . 20 1 1 A 118 118 THR CB C 118 69.840 71.658 -1.818 1
1 813 . 20 1 1 A 118 118 THR N N 118 112.100 110.177 1.923 1
1 814 . 20 1 1 A 119 119 GLY H H 119 8.430 8.810 -0.380 1
1 815 . 20 1 1 A 119 119 GLY N N 119 111.230 112.358 -1.128 1
1 816 . 20 1 1 A 120 120 LYS H H 120 8.200 8.355 -0.155 1
1 817 . 20 1 1 A 120 120 LYS HA H 120 4.510 4.097 0.413 1
1 821 . 20 1 1 A 120 120 LYS CA C 120 56.110 58.986 -2.876 1
1 822 . 20 1 1 A 120 120 LYS CB C 120 33.270 32.717 0.553 1
1 823 . 20 1 1 A 120 120 LYS N N 120 121.180 120.518 0.662 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 77 1.219 1
3 1 1 1 "RMS(OBS, PRED)" CB 71 1.499 1
4 1 1 1 "RMS(OBS, PRED)" H 74 0.606 1
5 1 1 1 "RMS(OBS, PRED)" HA 83 0.334 1
6 1 1 1 "RMS(OBS, PRED)" N 74 3.549 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 77 1.187 1
9 1 2 1 "RMS(OBS, PRED)" CB 71 1.507 1
10 1 2 1 "RMS(OBS, PRED)" H 74 0.591 1
11 1 2 1 "RMS(OBS, PRED)" HA 83 0.318 1
12 1 2 1 "RMS(OBS, PRED)" N 74 3.581 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 77 1.187 1
15 1 3 1 "RMS(OBS, PRED)" CB 71 1.353 1
16 1 3 1 "RMS(OBS, PRED)" H 74 0.563 1
17 1 3 1 "RMS(OBS, PRED)" HA 83 0.325 1
18 1 3 1 "RMS(OBS, PRED)" N 74 3.568 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 77 1.228 1
21 1 4 1 "RMS(OBS, PRED)" CB 71 1.487 1
22 1 4 1 "RMS(OBS, PRED)" H 74 0.593 1
23 1 4 1 "RMS(OBS, PRED)" HA 83 0.327 1
24 1 4 1 "RMS(OBS, PRED)" N 74 3.543 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 77 1.326 1
27 1 5 1 "RMS(OBS, PRED)" CB 71 1.647 1
28 1 5 1 "RMS(OBS, PRED)" H 74 0.588 1
29 1 5 1 "RMS(OBS, PRED)" HA 83 0.338 1
30 1 5 1 "RMS(OBS, PRED)" N 74 3.628 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 77 1.225 1
33 1 6 1 "RMS(OBS, PRED)" CB 71 1.557 1
34 1 6 1 "RMS(OBS, PRED)" H 74 0.567 1
35 1 6 1 "RMS(OBS, PRED)" HA 83 0.352 1
36 1 6 1 "RMS(OBS, PRED)" N 74 3.574 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 77 1.203 1
39 1 7 1 "RMS(OBS, PRED)" CB 71 1.673 1
40 1 7 1 "RMS(OBS, PRED)" H 74 0.575 1
41 1 7 1 "RMS(OBS, PRED)" HA 83 0.335 1
42 1 7 1 "RMS(OBS, PRED)" N 74 3.598 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 77 1.306 1
45 1 8 1 "RMS(OBS, PRED)" CB 71 1.490 1
46 1 8 1 "RMS(OBS, PRED)" H 74 0.615 1
47 1 8 1 "RMS(OBS, PRED)" HA 83 0.324 1
48 1 8 1 "RMS(OBS, PRED)" N 74 3.555 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 77 1.233 1
51 1 9 1 "RMS(OBS, PRED)" CB 71 1.383 1
52 1 9 1 "RMS(OBS, PRED)" H 74 0.568 1
53 1 9 1 "RMS(OBS, PRED)" HA 83 0.330 1
54 1 9 1 "RMS(OBS, PRED)" N 74 3.402 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 77 1.192 1
57 1 10 1 "RMS(OBS, PRED)" CB 71 1.516 1
58 1 10 1 "RMS(OBS, PRED)" H 74 0.557 1
59 1 10 1 "RMS(OBS, PRED)" HA 83 0.314 1
60 1 10 1 "RMS(OBS, PRED)" N 74 3.459 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 77 1.262 1
63 1 11 1 "RMS(OBS, PRED)" CB 71 1.606 1
64 1 11 1 "RMS(OBS, PRED)" H 74 0.581 1
65 1 11 1 "RMS(OBS, PRED)" HA 83 0.347 1
66 1 11 1 "RMS(OBS, PRED)" N 74 3.454 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 77 1.231 1
69 1 12 1 "RMS(OBS, PRED)" CB 71 1.493 1
70 1 12 1 "RMS(OBS, PRED)" H 74 0.621 1
71 1 12 1 "RMS(OBS, PRED)" HA 83 0.326 1
72 1 12 1 "RMS(OBS, PRED)" N 74 3.559 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 77 1.282 1
75 1 13 1 "RMS(OBS, PRED)" CB 71 1.515 1
76 1 13 1 "RMS(OBS, PRED)" H 74 0.576 1
77 1 13 1 "RMS(OBS, PRED)" HA 83 0.333 1
78 1 13 1 "RMS(OBS, PRED)" N 74 3.798 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 77 1.211 1
81 1 14 1 "RMS(OBS, PRED)" CB 71 1.632 1
82 1 14 1 "RMS(OBS, PRED)" H 74 0.515 1
83 1 14 1 "RMS(OBS, PRED)" HA 83 0.341 1
84 1 14 1 "RMS(OBS, PRED)" N 74 3.443 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 77 1.246 1
87 1 15 1 "RMS(OBS, PRED)" CB 71 1.513 1
88 1 15 1 "RMS(OBS, PRED)" H 74 0.600 1
89 1 15 1 "RMS(OBS, PRED)" HA 83 0.330 1
90 1 15 1 "RMS(OBS, PRED)" N 74 3.565 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 77 1.264 1
93 1 16 1 "RMS(OBS, PRED)" CB 71 1.525 1
94 1 16 1 "RMS(OBS, PRED)" H 74 0.583 1
95 1 16 1 "RMS(OBS, PRED)" HA 83 0.339 1
96 1 16 1 "RMS(OBS, PRED)" N 74 3.450 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 77 1.208 1
99 1 17 1 "RMS(OBS, PRED)" CB 71 1.479 1
100 1 17 1 "RMS(OBS, PRED)" H 74 0.562 1
101 1 17 1 "RMS(OBS, PRED)" HA 83 0.349 1
102 1 17 1 "RMS(OBS, PRED)" N 74 3.441 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 77 1.203 1
105 1 18 1 "RMS(OBS, PRED)" CB 71 1.438 1
106 1 18 1 "RMS(OBS, PRED)" H 74 0.550 1
107 1 18 1 "RMS(OBS, PRED)" HA 83 0.343 1
108 1 18 1 "RMS(OBS, PRED)" N 74 3.561 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 77 1.195 1
111 1 19 1 "RMS(OBS, PRED)" CB 71 1.454 1
112 1 19 1 "RMS(OBS, PRED)" H 74 0.558 1
113 1 19 1 "RMS(OBS, PRED)" HA 83 0.380 1
114 1 19 1 "RMS(OBS, PRED)" N 74 3.502 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 77 1.298 1
117 1 20 1 "RMS(OBS, PRED)" CB 71 1.428 1
118 1 20 1 "RMS(OBS, PRED)" H 74 0.585 1
119 1 20 1 "RMS(OBS, PRED)" HA 83 0.318 1
120 1 20 1 "RMS(OBS, PRED)" N 74 3.453 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 17 . 1 1 A 37 37 ARG H H 37 8.370 8.220 0.150 2
1 18 . 1 1 A 37 37 ARG N N 37 121.030 119.760 1.270 2
1 19 . 1 1 A 38 38 LYS H H 38 8.150 8.489 -0.339 2
1 20 . 1 1 A 38 38 LYS HA H 38 4.750 4.664 0.086 2
1 25 . 1 1 A 38 38 LYS CA C 38 54.190 55.810 -1.620 2
1 26 . 1 1 A 38 38 LYS CB C 38 35.040 33.838 1.202 2
1 27 . 1 1 A 38 38 LYS N N 38 119.860 121.334 -1.474 2
1 28 . 1 1 A 39 39 GLY H H 39 8.710 8.743 -0.033 2
1 29 . 1 1 A 39 39 GLY HA3 H 39 4.050 4.266 -0.216 2
1 30 . 1 1 A 39 39 GLY CA C 39 45.460 45.574 -0.114 2
1 31 . 1 1 A 39 39 GLY N N 39 107.990 108.534 -0.544 2
1 32 . 1 1 A 40 40 ASN H H 40 8.300 9.240 -0.940 2
1 33 . 1 1 A 40 40 ASN HA H 40 4.850 5.147 -0.297 2
1 38 . 1 1 A 40 40 ASN CA C 40 54.110 52.931 1.179 2
1 39 . 1 1 A 40 40 ASN CB C 40 37.840 40.355 -2.515 2
1 40 . 1 1 A 40 40 ASN N N 40 115.650 120.735 -5.085 2
1 42 . 1 1 A 41 41 THR HA H 41 5.400 4.975 0.425 2
1 47 . 1 1 A 41 41 THR CA C 41 63.410 63.004 0.406 2
1 48 . 1 1 A 41 41 THR CB C 41 69.930 69.927 0.003 2
1 50 . 1 1 A 42 42 LEU H H 42 9.900 9.099 0.801 2
1 51 . 1 1 A 42 42 LEU HA H 42 5.090 5.217 -0.127 2
1 61 . 1 1 A 42 42 LEU CA C 42 53.260 53.658 -0.398 2
1 62 . 1 1 A 42 42 LEU CB C 42 43.590 45.057 -1.467 2
1 66 . 1 1 A 42 42 LEU N N 42 127.870 125.743 2.127 2
1 67 . 1 1 A 43 43 TYR H H 43 9.190 8.940 0.250 2
1 68 . 1 1 A 43 43 TYR HA H 43 4.420 4.997 -0.577 2
1 71 . 1 1 A 43 43 TYR CB C 43 40.310 40.646 -0.336 2
1 72 . 1 1 A 43 43 TYR N N 43 124.140 124.942 -0.802 2
1 73 . 1 1 A 44 44 VAL H H 44 7.980 8.550 -0.570 2
1 74 . 1 1 A 44 44 VAL HA H 44 4.810 5.094 -0.284 2
1 82 . 1 1 A 44 44 VAL CA C 44 59.320 61.112 -1.792 2
1 83 . 1 1 A 44 44 VAL CB C 44 34.360 33.830 0.530 2
1 86 . 1 1 A 44 44 VAL N N 44 127.360 127.795 -0.435 2
1 87 . 1 1 A 45 45 TYR H H 45 9.020 8.847 0.173 2
1 88 . 1 1 A 45 45 TYR HA H 45 4.980 5.325 -0.345 2
1 94 . 1 1 A 45 45 TYR CA C 45 55.680 55.596 0.084 2
1 95 . 1 1 A 45 45 TYR CB C 45 42.210 41.837 0.373 2
1 96 . 1 1 A 45 45 TYR N N 45 126.390 128.285 -1.895 2
1 97 . 1 1 A 46 46 GLY H H 46 7.510 7.422 0.088 2
1 98 . 1 1 A 46 46 GLY HA2 H 46 3.830 4.005 -0.175 2
1 99 . 1 1 A 46 46 GLY HA3 H 46 3.830 4.035 -0.205 2
1 100 . 1 1 A 46 46 GLY CA C 46 45.360 45.837 -0.477 2
1 101 . 1 1 A 46 46 GLY N N 46 114.220 111.498 2.722 2
1 102 . 1 1 A 47 47 GLU H H 47 8.750 8.618 0.132 2
1 103 . 1 1 A 47 47 GLU HA H 47 3.990 4.635 -0.645 2
1 108 . 1 1 A 47 47 GLU CA C 47 56.720 54.658 2.062 2
1 109 . 1 1 A 47 47 GLU CB C 47 30.460 32.779 -2.319 2
1 111 . 1 1 A 47 47 GLU N N 47 123.880 119.917 3.963 2
1 112 . 1 1 A 48 48 ASP H H 48 8.540 8.741 -0.201 2
1 113 . 1 1 A 48 48 ASP HA H 48 4.250 4.093 0.157 2
1 116 . 1 1 A 48 48 ASP CA C 48 55.210 55.002 0.208 2
1 117 . 1 1 A 48 48 ASP CB C 48 39.150 39.422 -0.272 2
1 118 . 1 1 A 48 48 ASP N N 48 117.200 119.327 -2.127 2
1 119 . 1 1 A 49 49 MET H H 49 8.190 7.844 0.346 2
1 120 . 1 1 A 49 49 MET HA H 49 4.120 4.852 -0.732 2
1 126 . 1 1 A 49 49 MET CA C 49 57.510 54.198 3.312 2
1 127 . 1 1 A 49 49 MET CB C 49 34.620 33.864 0.756 2
1 129 . 1 1 A 49 49 MET N N 49 114.560 117.857 -3.297 2
1 130 . 1 1 A 50 50 THR H H 50 6.510 8.553 -2.043 2
1 131 . 1 1 A 50 50 THR HA H 50 5.020 4.923 0.097 2
1 136 . 1 1 A 50 50 THR CA C 50 57.960 58.492 -0.532 2
1 137 . 1 1 A 50 50 THR CB C 50 70.150 69.934 0.216 2
1 139 . 1 1 A 50 50 THR N N 50 108.060 114.481 -6.421 2
1 140 . 1 1 A 51 51 PRO HA H 51 4.340 4.260 0.080 2
1 146 . 1 1 A 51 51 PRO CA C 51 65.790 65.686 0.104 2
1 147 . 1 1 A 51 51 PRO CB C 51 31.780 31.745 0.035 2
1 150 . 1 1 A 52 52 THR H H 52 7.640 7.809 -0.169 2
1 151 . 1 1 A 52 52 THR HA H 52 3.980 3.995 -0.015 2
1 156 . 1 1 A 52 52 THR CA C 52 66.160 65.697 0.463 2
1 157 . 1 1 A 52 52 THR CB C 52 68.430 68.474 -0.044 2
1 159 . 1 1 A 52 52 THR N N 52 111.520 111.770 -0.250 2
1 160 . 1 1 A 53 53 LEU H H 53 7.810 8.062 -0.252 2
1 161 . 1 1 A 53 53 LEU HA H 53 4.130 4.057 0.073 2
1 171 . 1 1 A 53 53 LEU CA C 53 58.360 58.367 -0.007 2
1 172 . 1 1 A 53 53 LEU CB C 53 42.970 41.642 1.328 2
1 176 . 1 1 A 53 53 LEU N N 53 125.410 121.558 3.852 2
1 177 . 1 1 A 54 54 LEU H H 54 7.840 8.141 -0.301 2
1 178 . 1 1 A 54 54 LEU HA H 54 4.260 4.006 0.254 2
1 188 . 1 1 A 54 54 LEU CA C 54 57.580 58.290 -0.710 2
1 189 . 1 1 A 54 54 LEU CB C 54 42.330 41.528 0.802 2
1 193 . 1 1 A 54 54 LEU N N 54 117.150 118.840 -1.690 2
1 194 . 1 1 A 55 55 ARG H H 55 9.020 8.715 0.305 2
1 195 . 1 1 A 55 55 ARG HA H 55 3.880 4.107 -0.227 2
1 202 . 1 1 A 55 55 ARG CA C 55 60.890 59.410 1.480 2
1 203 . 1 1 A 55 55 ARG CB C 55 29.580 29.872 -0.292 2
1 206 . 1 1 A 55 55 ARG N N 55 120.050 118.141 1.909 2
1 207 . 1 1 A 56 56 GLY H H 56 8.180 8.236 -0.056 2
1 208 . 1 1 A 56 56 GLY HA2 H 56 3.940 3.889 0.051 2
1 209 . 1 1 A 56 56 GLY HA3 H 56 4.100 3.906 0.194 2
1 210 . 1 1 A 56 56 GLY CA C 56 47.210 47.045 0.165 2
1 211 . 1 1 A 56 56 GLY N N 56 106.700 107.845 -1.145 2
1 212 . 1 1 A 57 57 ALA H H 57 7.830 7.980 -0.150 2
1 213 . 1 1 A 57 57 ALA HA H 57 4.360 4.103 0.257 2
1 217 . 1 1 A 57 57 ALA CA C 57 53.590 54.218 -0.628 2
1 218 . 1 1 A 57 57 ALA CB C 57 19.050 18.303 0.747 2
1 219 . 1 1 A 57 57 ALA N N 57 120.270 124.607 -4.337 2
1 220 . 1 1 A 58 58 PHE H H 58 8.600 8.227 0.373 2
1 221 . 1 1 A 58 58 PHE HA H 58 4.790 5.577 -0.787 2
1 227 . 1 1 A 58 58 PHE CA C 58 60.210 57.677 2.533 2
1 228 . 1 1 A 58 58 PHE CB C 58 38.390 39.613 -1.223 2
1 229 . 1 1 A 58 58 PHE N N 58 110.250 116.716 -6.466 2
1 230 . 1 1 A 59 59 SER H H 59 8.610 7.997 0.613 2
1 231 . 1 1 A 59 59 SER HA H 59 4.810 4.407 0.403 2
1 234 . 1 1 A 59 59 SER CA C 59 63.540 62.983 0.557 2
1 235 . 1 1 A 59 59 SER CB C 59 62.910 62.750 0.160 2
1 236 . 1 1 A 59 59 SER N N 59 122.860 116.558 6.302 2
1 237 . 1 1 A 60 60 PRO HA H 60 4.280 4.332 -0.052 2
1 244 . 1 1 A 60 60 PRO CA C 60 65.680 65.581 0.100 2
1 245 . 1 1 A 60 60 PRO CB C 60 31.420 30.694 0.726 2
1 248 . 1 1 A 61 61 PHE H H 61 6.850 8.639 -1.789 2
1 249 . 1 1 A 61 61 PHE HA H 61 4.510 4.246 0.264 2
1 257 . 1 1 A 61 61 PHE CA C 61 58.310 60.692 -2.382 2
1 258 . 1 1 A 61 61 PHE CB C 61 38.920 38.890 0.030 2
1 259 . 1 1 A 61 61 PHE N N 61 109.700 116.689 -6.989 2
1 260 . 1 1 A 62 62 GLY H H 62 7.800 7.429 0.371 2
1 261 . 1 1 A 62 62 GLY HA2 H 62 4.090 3.948 0.142 2
1 262 . 1 1 A 62 62 GLY HA3 H 62 4.290 4.093 0.197 2
1 263 . 1 1 A 62 62 GLY CA C 62 45.290 45.819 -0.529 2
1 264 . 1 1 A 62 62 GLY N N 62 106.520 104.013 2.507 2
1 265 . 1 1 A 63 63 ASN H H 63 8.520 8.581 -0.061 2
1 266 . 1 1 A 63 63 ASN HA H 63 4.920 5.307 -0.387 2
1 271 . 1 1 A 63 63 ASN CA C 63 52.930 52.863 0.067 2
1 272 . 1 1 A 63 63 ASN CB C 63 38.630 40.216 -1.586 2
1 273 . 1 1 A 63 63 ASN N N 63 117.020 118.698 -1.678 2
1 275 . 1 1 A 64 64 ILE H H 64 8.750 9.034 -0.284 2
1 276 . 1 1 A 64 64 ILE HA H 64 4.100 4.833 -0.733 2
1 286 . 1 1 A 64 64 ILE CA C 64 61.940 60.500 1.440 2
1 287 . 1 1 A 64 64 ILE CB C 64 38.780 39.160 -0.380 2
1 291 . 1 1 A 64 64 ILE N N 64 127.930 123.945 3.985 2
1 292 . 1 1 A 65 65 ILE H H 65 8.910 8.699 0.211 2
1 293 . 1 1 A 65 65 ILE HA H 65 4.490 4.384 0.106 2
1 303 . 1 1 A 65 65 ILE CA C 65 61.310 61.487 -0.177 2
1 304 . 1 1 A 65 65 ILE CB C 65 38.470 38.916 -0.446 2
1 308 . 1 1 A 65 65 ILE N N 65 124.530 122.220 2.310 2
1 309 . 1 1 A 66 66 ASP H H 66 7.520 7.820 -0.300 2
1 310 . 1 1 A 66 66 ASP HA H 66 4.700 5.056 -0.356 2
1 313 . 1 1 A 66 66 ASP CA C 66 55.520 53.746 1.774 2
1 314 . 1 1 A 66 66 ASP CB C 66 45.290 43.641 1.649 2
1 315 . 1 1 A 66 66 ASP N N 66 119.140 121.089 -1.949 2
1 316 . 1 1 A 67 67 LEU H H 67 8.230 8.920 -0.690 2
1 317 . 1 1 A 67 67 LEU HA H 67 4.980 5.039 -0.059 2
1 326 . 1 1 A 67 67 LEU CA C 67 54.980 53.559 1.421 2
1 327 . 1 1 A 67 67 LEU CB C 67 44.440 44.698 -0.258 2
1 330 . 1 1 A 67 67 LEU N N 67 127.890 128.222 -0.333 2
1 331 . 1 1 A 68 68 SER H H 68 8.810 9.136 -0.326 2
1 332 . 1 1 A 68 68 SER HA H 68 4.970 5.355 -0.385 2
1 335 . 1 1 A 68 68 SER CA C 68 57.170 56.896 0.274 2
1 336 . 1 1 A 68 68 SER CB C 68 65.320 65.812 -0.492 2
1 337 . 1 1 A 68 68 SER N N 68 122.560 122.978 -0.418 2
1 338 . 1 1 A 69 69 MET H H 69 9.050 8.911 0.139 2
1 339 . 1 1 A 69 69 MET HA H 69 4.740 5.232 -0.492 2
1 345 . 1 1 A 69 69 MET CA C 69 54.520 54.131 0.389 2
1 348 . 1 1 A 69 69 MET N N 69 122.420 123.381 -0.961 2
1 349 . 1 1 A 70 70 ASP H H 70 8.620 8.735 -0.115 2
1 350 . 1 1 A 70 70 ASP HA H 70 5.140 5.276 -0.136 2
1 353 . 1 1 A 70 70 ASP CA C 70 51.410 50.774 0.636 2
1 354 . 1 1 A 70 70 ASP CB C 70 40.930 42.385 -1.455 2
1 355 . 1 1 A 70 70 ASP N N 70 120.620 122.296 -1.676 2
1 356 . 1 1 A 71 71 PRO HA H 71 4.760 4.383 0.377 2
1 359 . 1 1 A 71 71 PRO CA C 71 66.380 64.386 1.994 2
1 361 . 1 1 A 72 72 PRO HA H 72 4.520 4.363 0.157 2
1 368 . 1 1 A 72 72 PRO CA C 72 65.750 65.176 0.574 2
1 369 . 1 1 A 72 72 PRO CB C 72 31.570 31.304 0.266 2
1 371 . 1 1 A 73 73 ARG H H 73 7.360 7.641 -0.281 2
1 372 . 1 1 A 73 73 ARG HA H 73 4.570 4.535 0.035 2
1 378 . 1 1 A 73 73 ARG CA C 73 55.160 55.594 -0.434 2
1 379 . 1 1 A 73 73 ARG CB C 73 29.000 30.896 -1.896 2
1 382 . 1 1 A 73 73 ARG N N 73 114.560 116.708 -2.148 2
1 383 . 1 1 A 74 74 ASN H H 74 8.440 7.932 0.508 2
1 384 . 1 1 A 74 74 ASN HA H 74 4.270 4.131 0.139 2
1 389 . 1 1 A 74 74 ASN CA C 74 53.830 54.518 -0.688 2
1 390 . 1 1 A 74 74 ASN CB C 74 37.500 36.471 1.029 2
1 391 . 1 1 A 74 74 ASN N N 74 115.460 115.144 0.316 2
1 393 . 1 1 A 75 75 CYS H H 75 7.270 7.488 -0.218 2
1 394 . 1 1 A 75 75 CYS HA H 75 5.730 5.186 0.544 2
1 396 . 1 1 A 75 75 CYS CA C 75 55.420 57.023 -1.603 2
1 397 . 1 1 A 75 75 CYS CB C 75 32.640 30.795 1.845 2
1 398 . 1 1 A 75 75 CYS N N 75 127.180 113.370 13.810 2
1 399 . 1 1 A 76 76 ALA H H 76 8.590 8.509 0.081 2
1 403 . 1 1 A 76 76 ALA CB C 76 24.400 22.494 1.906 2
1 404 . 1 1 A 76 76 ALA N N 76 122.120 124.468 -2.348 2
1 405 . 1 1 A 77 77 PHE H H 77 8.780 9.523 -0.743 2
1 406 . 1 1 A 77 77 PHE HA H 77 5.620 5.592 0.028 2
1 407 . 1 1 A 77 77 PHE CA C 77 55.850 56.555 -0.705 2
1 408 . 1 1 A 77 77 PHE N N 77 115.390 118.212 -2.822 2
1 409 . 1 1 A 78 78 VAL H H 78 8.580 8.690 -0.110 2
1 410 . 1 1 A 78 78 VAL HA H 78 4.300 4.617 -0.317 2
1 418 . 1 1 A 78 78 VAL CA C 78 60.960 60.332 0.628 2
1 419 . 1 1 A 78 78 VAL CB C 78 34.360 34.186 0.174 2
1 422 . 1 1 A 78 78 VAL N N 78 126.440 122.533 3.907 2
1 423 . 1 1 A 79 79 THR H H 79 8.960 8.431 0.529 2
1 424 . 1 1 A 79 79 THR HA H 79 5.330 5.330 -0.000 2
1 429 . 1 1 A 79 79 THR CA C 79 61.940 61.866 0.074 2
1 430 . 1 1 A 79 79 THR CB C 79 69.910 70.287 -0.377 2
1 432 . 1 1 A 79 79 THR N N 79 123.990 123.391 0.599 2
1 433 . 1 1 A 80 80 TYR H H 80 8.880 9.371 -0.491 2
1 434 . 1 1 A 80 80 TYR HA H 80 5.400 4.989 0.411 2
1 437 . 1 1 A 80 80 TYR CA C 80 57.660 56.811 0.849 2
1 438 . 1 1 A 80 80 TYR CB C 80 42.220 40.891 1.329 2
1 439 . 1 1 A 80 80 TYR N N 80 126.670 125.379 1.291 2
1 440 . 1 1 A 81 81 GLU H H 81 8.490 8.840 -0.350 2
1 441 . 1 1 A 81 81 GLU HA H 81 4.110 4.205 -0.095 2
1 446 . 1 1 A 81 81 GLU CA C 81 59.290 59.371 -0.081 2
1 447 . 1 1 A 81 81 GLU CB C 81 31.210 29.923 1.287 2
1 449 . 1 1 A 81 81 GLU N N 81 119.690 124.594 -4.904 2
1 450 . 1 1 A 82 82 LYS H H 82 8.460 7.843 0.617 2
1 451 . 1 1 A 82 82 LYS HA H 82 5.020 4.727 0.293 2
1 457 . 1 1 A 82 82 LYS CA C 82 54.140 54.732 -0.592 2
1 458 . 1 1 A 82 82 LYS CB C 82 34.420 35.811 -1.391 2
1 462 . 1 1 A 82 82 LYS N N 82 113.920 117.238 -3.318 2
1 463 . 1 1 A 83 83 MET H H 83 9.100 9.020 0.080 2
1 464 . 1 1 A 83 83 MET HA H 83 4.070 4.298 -0.228 2
1 468 . 1 1 A 83 83 MET CA C 83 59.570 57.777 1.793 2
1 469 . 1 1 A 83 83 MET CB C 83 32.420 31.729 0.691 2
1 471 . 1 1 A 83 83 MET N N 83 122.530 121.985 0.545 2
1 472 . 1 1 A 84 84 GLU H H 84 9.690 7.878 1.812 2
1 473 . 1 1 A 84 84 GLU HA H 84 4.240 4.077 0.163 2
1 477 . 1 1 A 84 84 GLU CA C 84 60.040 59.192 0.848 2
1 478 . 1 1 A 84 84 GLU CB C 84 28.640 29.420 -0.780 2
1 480 . 1 1 A 84 84 GLU N N 84 117.940 120.082 -2.142 2
1 481 . 1 1 A 85 85 SER H H 85 7.110 7.909 -0.799 2
1 482 . 1 1 A 85 85 SER HA H 85 4.130 3.965 0.165 2
1 485 . 1 1 A 85 85 SER CA C 85 61.840 61.361 0.479 2
1 486 . 1 1 A 85 85 SER CB C 85 62.400 62.419 -0.019 2
1 487 . 1 1 A 85 85 SER N N 85 115.500 116.295 -0.795 2
1 488 . 1 1 A 86 86 ALA H H 86 6.860 7.739 -0.879 2
1 489 . 1 1 A 86 86 ALA HA H 86 4.080 4.411 -0.331 2
1 493 . 1 1 A 86 86 ALA CA C 86 55.210 55.037 0.173 2
1 494 . 1 1 A 86 86 ALA CB C 86 18.070 18.448 -0.378 2
1 495 . 1 1 A 86 86 ALA N N 86 122.760 123.086 -0.326 2
1 496 . 1 1 A 87 87 ASP H H 87 7.680 8.062 -0.382 2
1 497 . 1 1 A 87 87 ASP HA H 87 4.390 4.376 0.014 2
1 500 . 1 1 A 87 87 ASP CA C 87 57.470 57.502 -0.032 2
1 501 . 1 1 A 87 87 ASP CB C 87 40.850 41.261 -0.411 2
1 502 . 1 1 A 87 87 ASP N N 87 115.980 118.644 -2.664 2
1 503 . 1 1 A 88 88 GLN H H 88 7.670 7.968 -0.298 2
1 504 . 1 1 A 88 88 GLN HA H 88 4.040 4.111 -0.071 2
1 511 . 1 1 A 88 88 GLN CA C 88 58.500 58.867 -0.367 2
1 512 . 1 1 A 88 88 GLN CB C 88 28.270 28.849 -0.579 2
1 514 . 1 1 A 88 88 GLN N N 88 119.920 119.356 0.564 2
1 516 . 1 1 A 89 89 ALA H H 89 7.950 7.668 0.282 2
1 517 . 1 1 A 89 89 ALA HA H 89 2.800 2.359 0.441 2
1 521 . 1 1 A 89 89 ALA CA C 89 54.930 54.340 0.590 2
1 522 . 1 1 A 89 89 ALA CB C 89 19.340 17.950 1.390 2
1 523 . 1 1 A 89 89 ALA N N 89 121.330 121.721 -0.391 2
1 524 . 1 1 A 90 90 VAL H H 90 8.030 8.606 -0.576 2
1 525 . 1 1 A 90 90 VAL HA H 90 3.370 3.556 -0.186 2
1 533 . 1 1 A 90 90 VAL CA C 90 67.090 66.428 0.662 2
1 534 . 1 1 A 90 90 VAL CB C 90 32.180 31.544 0.636 2
1 537 . 1 1 A 90 90 VAL N N 90 116.630 118.500 -1.870 2
1 538 . 1 1 A 91 91 ALA H H 91 7.350 7.947 -0.597 2
1 539 . 1 1 A 91 91 ALA HA H 91 4.130 4.094 0.036 2
1 543 . 1 1 A 91 91 ALA CA C 91 54.810 55.234 -0.424 2
1 544 . 1 1 A 91 91 ALA CB C 91 18.330 18.490 -0.160 2
1 545 . 1 1 A 91 91 ALA N N 91 119.620 121.819 -2.199 2
1 546 . 1 1 A 92 92 GLU H H 92 7.960 7.963 -0.003 2
1 547 . 1 1 A 92 92 GLU HA H 92 4.360 4.116 0.244 2
1 552 . 1 1 A 92 92 GLU CA C 92 57.930 59.128 -1.198 2
1 553 . 1 1 A 92 92 GLU CB C 92 30.980 30.143 0.837 2
1 555 . 1 1 A 92 92 GLU N N 92 113.770 118.366 -4.596 2
1 556 . 1 1 A 93 93 LEU H H 93 8.310 8.361 -0.051 2
1 557 . 1 1 A 93 93 LEU HA H 93 4.620 4.054 0.566 2
1 567 . 1 1 A 93 93 LEU CA C 93 55.810 57.297 -1.487 2
1 568 . 1 1 A 93 93 LEU CB C 93 44.130 41.594 2.536 2
1 572 . 1 1 A 93 93 LEU N N 93 114.550 119.269 -4.719 2
1 573 . 1 1 A 94 94 ASN H H 94 7.910 7.818 0.092 2
1 574 . 1 1 A 94 94 ASN HA H 94 4.430 4.351 0.079 2
1 577 . 1 1 A 94 94 ASN CA C 94 56.690 54.912 1.778 2
1 578 . 1 1 A 94 94 ASN N N 94 116.840 117.668 -0.828 2
1 580 . 1 1 A 95 95 GLY H H 95 8.890 8.809 0.081 2
1 581 . 1 1 A 95 95 GLY HA2 H 95 3.960 3.930 0.030 2
1 582 . 1 1 A 95 95 GLY HA3 H 95 4.290 3.932 0.358 2
1 583 . 1 1 A 95 95 GLY CA C 95 46.090 45.871 0.219 2
1 584 . 1 1 A 95 95 GLY N N 95 116.350 113.661 2.689 2
1 585 . 1 1 A 96 96 THR H H 96 7.860 7.612 0.248 2
1 586 . 1 1 A 96 96 THR HA H 96 4.660 4.974 -0.314 2
1 591 . 1 1 A 96 96 THR CA C 96 60.880 59.361 1.519 2
1 592 . 1 1 A 96 96 THR CB C 96 71.090 72.180 -1.090 2
1 594 . 1 1 A 96 96 THR N N 96 113.920 110.902 3.018 2
1 595 . 1 1 A 97 97 GLN H H 97 8.360 8.778 -0.418 2
1 596 . 1 1 A 97 97 GLN HA H 97 5.210 5.103 0.107 2
1 602 . 1 1 A 97 97 GLN CA C 97 54.170 54.066 0.104 2
1 603 . 1 1 A 97 97 GLN CB C 97 30.470 32.395 -1.925 2
1 605 . 1 1 A 97 97 GLN N N 97 119.550 121.416 -1.866 2
1 607 . 1 1 A 98 98 VAL H H 98 8.900 9.414 -0.514 2
1 608 . 1 1 A 98 98 VAL HA H 98 4.200 4.441 -0.241 2
1 616 . 1 1 A 98 98 VAL CA C 98 61.350 61.024 0.326 2
1 617 . 1 1 A 98 98 VAL CB C 98 33.600 32.682 0.918 2
1 620 . 1 1 A 98 98 VAL N N 98 127.260 125.297 1.963 2
1 621 . 1 1 A 99 99 GLU H H 99 9.160 8.574 0.586 2
1 622 . 1 1 A 99 99 GLU HA H 99 3.820 4.070 -0.250 2
1 625 . 1 1 A 99 99 GLU CA C 99 57.950 59.325 -1.375 2
1 626 . 1 1 A 99 99 GLU CB C 99 27.110 29.904 -2.794 2
1 628 . 1 1 A 99 99 GLU N N 99 124.200 123.449 0.751 2
1 629 . 1 1 A 100 100 SER H H 100 8.330 7.907 0.423 2
1 630 . 1 1 A 100 100 SER HA H 100 4.280 4.664 -0.384 2
1 633 . 1 1 A 100 100 SER CA C 100 59.780 57.543 2.237 2
1 634 . 1 1 A 100 100 SER CB C 100 63.300 64.415 -1.115 2
1 635 . 1 1 A 100 100 SER N N 100 111.660 112.389 -0.729 2
1 636 . 1 1 A 101 101 VAL H H 101 8.410 7.590 0.820 2
1 637 . 1 1 A 101 101 VAL HA H 101 4.210 4.813 -0.603 2
1 645 . 1 1 A 101 101 VAL CA C 101 62.080 60.135 1.945 2
1 646 . 1 1 A 101 101 VAL CB C 101 33.200 36.474 -3.274 2
1 649 . 1 1 A 101 101 VAL N N 101 124.550 120.884 3.666 2
1 650 . 1 1 A 102 102 GLN H H 102 8.510 8.699 -0.189 2
1 651 . 1 1 A 102 102 GLN HA H 102 4.590 4.965 -0.375 2
1 658 . 1 1 A 102 102 GLN CA C 102 55.090 54.766 0.324 2
1 659 . 1 1 A 102 102 GLN CB C 102 28.620 31.244 -2.624 2
1 661 . 1 1 A 102 102 GLN N N 102 127.320 124.618 2.702 2
1 663 . 1 1 A 103 103 LEU H H 103 8.710 8.790 -0.080 2
1 664 . 1 1 A 103 103 LEU HA H 103 5.050 5.220 -0.170 2
1 674 . 1 1 A 103 103 LEU CA C 103 54.740 53.359 1.381 2
1 675 . 1 1 A 103 103 LEU CB C 103 44.820 44.826 -0.006 2
1 679 . 1 1 A 103 103 LEU N N 103 126.610 124.292 2.318 2
1 680 . 1 1 A 104 104 LYS H H 104 8.690 8.870 -0.180 2
1 681 . 1 1 A 104 104 LYS HA H 104 5.030 5.075 -0.045 2
1 688 . 1 1 A 104 104 LYS CA C 104 55.480 54.923 0.557 2
1 689 . 1 1 A 104 104 LYS CB C 104 34.520 35.344 -0.824 2
1 693 . 1 1 A 104 104 LYS N N 104 124.080 123.004 1.076 2
1 694 . 1 1 A 105 105 VAL H H 105 9.050 8.825 0.225 2
1 695 . 1 1 A 105 105 VAL HA H 105 5.190 5.262 -0.072 2
1 703 . 1 1 A 105 105 VAL CA C 105 60.840 60.761 0.079 2
1 704 . 1 1 A 105 105 VAL CB C 105 35.660 34.459 1.201 2
1 707 . 1 1 A 105 105 VAL N N 105 123.920 123.780 0.140 2
1 708 . 1 1 A 106 106 ASN H H 106 9.300 9.166 0.134 2
1 709 . 1 1 A 106 106 ASN HA H 106 5.220 5.317 -0.097 2
1 714 . 1 1 A 106 106 ASN CA C 106 51.630 51.705 -0.075 2
1 715 . 1 1 A 106 106 ASN CB C 106 43.840 42.947 0.894 2
1 716 . 1 1 A 106 106 ASN N N 106 122.780 123.234 -0.454 2
1 718 . 1 1 A 107 107 ILE H H 107 9.050 8.714 0.336 2
1 719 . 1 1 A 107 107 ILE HA H 107 4.160 4.903 -0.743 2
1 729 . 1 1 A 107 107 ILE CA C 107 61.670 60.154 1.516 2
1 730 . 1 1 A 107 107 ILE CB C 107 36.140 39.790 -3.650 2
1 733 . 1 1 A 107 107 ILE N N 107 122.980 120.723 2.257 2
1 734 . 1 1 A 108 108 ALA H H 108 8.740 8.770 -0.030 2
1 735 . 1 1 A 108 108 ALA HA H 108 4.780 4.959 -0.179 2
1 739 . 1 1 A 108 108 ALA CA C 108 52.620 50.459 2.161 2
1 740 . 1 1 A 108 108 ALA CB C 108 19.570 22.203 -2.633 2
1 741 . 1 1 A 108 108 ALA N N 108 131.610 130.020 1.590 2
1 742 . 1 1 A 109 109 ARG HA H 109 4.390 4.440 -0.050 2
1 746 . 1 1 A 109 109 ARG CA C 109 56.120 56.324 -0.204 2
1 747 . 1 1 A 109 109 ARG CB C 109 31.010 30.600 0.410 2
1 749 . 1 1 A 111 111 GLN HA H 111 4.630 4.410 0.220 2
1 754 . 1 1 A 111 111 GLN CA C 111 55.160 54.562 0.598 2
1 755 . 1 1 A 111 111 GLN CB C 111 32.900 28.639 4.261 2
1 757 . 1 1 A 112 112 PRO HA H 112 4.370 4.461 -0.091 2
1 761 . 1 1 A 112 112 PRO CA C 112 64.090 64.463 -0.373 2
1 762 . 1 1 A 112 112 PRO CB C 112 32.650 31.995 0.655 2
1 767 . 1 1 A 114 114 LEU H H 114 7.710 7.645 0.065 2
1 768 . 1 1 A 114 114 LEU HA H 114 4.440 4.567 -0.127 2
1 777 . 1 1 A 114 114 LEU CB C 114 42.640 43.261 -0.621 2
1 780 . 1 1 A 114 114 LEU N N 114 123.050 119.363 3.687 2
1 781 . 1 1 A 115 115 ASP H H 115 8.440 8.363 0.077 2
1 782 . 1 1 A 115 115 ASP HA H 115 4.610 4.358 0.252 2
1 785 . 1 1 A 115 115 ASP CA C 115 54.620 55.592 -0.972 2
1 786 . 1 1 A 115 115 ASP CB C 115 40.720 39.069 1.651 2
1 787 . 1 1 A 115 115 ASP N N 115 119.520 115.795 3.725 2
1 788 . 1 1 A 116 116 ALA H H 116 8.060 8.206 -0.146 2
1 789 . 1 1 A 116 116 ALA HA H 116 4.320 4.257 0.063 2
1 793 . 1 1 A 116 116 ALA CA C 116 53.080 54.792 -1.712 2
1 794 . 1 1 A 116 116 ALA CB C 116 19.000 17.971 1.029 2
1 795 . 1 1 A 116 116 ALA N N 116 123.460 113.456 10.004 2
1 796 . 1 1 A 117 117 ALA H H 117 8.110 7.988 0.122 2
1 797 . 1 1 A 117 117 ALA HA H 117 4.640 4.536 0.104 2
1 801 . 1 1 A 117 117 ALA CA C 117 52.600 51.895 0.705 2
1 802 . 1 1 A 117 117 ALA CB C 117 19.360 20.840 -1.480 2
1 803 . 1 1 A 117 117 ALA N N 117 121.130 117.360 3.770 2
1 804 . 1 1 A 118 118 THR H H 118 8.060 8.224 -0.164 2
1 805 . 1 1 A 118 118 THR HA H 118 4.430 4.815 -0.385 2
1 810 . 1 1 A 118 118 THR CA C 118 62.130 61.042 1.088 2
1 811 . 1 1 A 118 118 THR CB C 118 69.840 71.053 -1.213 2
1 813 . 1 1 A 118 118 THR N N 118 112.100 111.775 0.325 2
1 814 . 1 1 A 119 119 GLY H H 119 8.430 8.410 0.020 2
1 815 . 1 1 A 119 119 GLY N N 119 111.230 110.496 0.735 2
1 816 . 1 1 A 120 120 LYS H H 120 8.200 8.438 -0.238 2
1 817 . 1 1 A 120 120 LYS HA H 120 4.510 4.175 0.336 2
1 821 . 1 1 A 120 120 LYS CA C 120 56.110 57.503 -1.393 2
1 822 . 1 1 A 120 120 LYS CB C 120 33.270 32.617 0.652 2
1 823 . 1 1 A 120 120 LYS N N 120 121.180 120.750 0.430 2
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