data_15217_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15217
_Entry.PDB_ID 2JN9
_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 10
_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 13 . 1 1 1 A 2 2 VAL H H 2 8.440 8.888 -0.448 1
1 14 . 1 1 1 A 2 2 VAL HA H 2 3.790 4.024 -0.234 1
1 22 . 1 1 1 A 2 2 VAL CA C 2 62.900 62.659 0.241 1
1 23 . 1 1 1 A 2 2 VAL CB C 2 32.100 29.544 2.556 1
1 26 . 1 1 1 A 2 2 VAL N N 2 125.800 126.542 -0.742 1
1 27 . 1 1 1 A 3 3 LYS H H 3 8.980 8.890 0.090 1
1 28 . 1 1 1 A 3 3 LYS HA H 3 4.650 4.319 0.331 1
1 37 . 1 1 1 A 3 3 LYS CA C 3 57.100 57.580 -0.480 1
1 38 . 1 1 1 A 3 3 LYS CB C 3 36.400 33.673 2.727 1
1 42 . 1 1 1 A 3 3 LYS N N 3 124.600 128.122 -3.522 1
1 43 . 1 1 1 A 4 4 THR H H 4 7.740 7.963 -0.223 1
1 44 . 1 1 1 A 4 4 THR HA H 4 4.310 4.266 0.044 1
1 49 . 1 1 1 A 4 4 THR CA C 4 64.990 62.133 2.857 1
1 50 . 1 1 1 A 4 4 THR CB C 4 68.700 67.337 1.363 1
1 52 . 1 1 1 A 4 4 THR N N 4 117.900 114.857 3.043 1
1 53 . 1 1 1 A 5 5 LEU H H 5 8.460 8.548 -0.088 1
1 54 . 1 1 1 A 5 5 LEU HA H 5 4.850 5.202 -0.352 1
1 64 . 1 1 1 A 5 5 LEU CA C 5 52.700 53.309 -0.609 1
1 65 . 1 1 1 A 5 5 LEU CB C 5 45.190 45.596 -0.406 1
1 69 . 1 1 1 A 5 5 LEU N N 5 130.600 128.695 1.905 1
1 70 . 1 1 1 A 6 6 ARG H H 6 9.050 9.009 0.041 1
1 71 . 1 1 1 A 6 6 ARG HA H 6 5.500 5.188 0.312 1
1 79 . 1 1 1 A 6 6 ARG CA C 6 54.350 54.456 -0.106 1
1 80 . 1 1 1 A 6 6 ARG CB C 6 33.080 33.027 0.053 1
1 83 . 1 1 1 A 6 6 ARG N N 6 123.100 126.027 -2.927 1
1 85 . 1 1 1 A 7 7 LEU H H 7 8.290 9.277 -0.987 1
1 86 . 1 1 1 A 7 7 LEU HA H 7 4.870 5.002 -0.132 1
1 96 . 1 1 1 A 7 7 LEU CA C 7 52.270 53.829 -1.559 1
1 97 . 1 1 1 A 7 7 LEU CB C 7 43.800 41.335 2.465 1
1 101 . 1 1 1 A 7 7 LEU N N 7 121.300 125.175 -3.875 1
1 102 . 1 1 1 A 8 8 ASN H H 8 9.220 9.190 0.030 1
1 103 . 1 1 1 A 8 8 ASN HA H 8 4.580 4.334 0.246 1
1 108 . 1 1 1 A 8 8 ASN CA C 8 54.180 54.051 0.129 1
1 109 . 1 1 1 A 8 8 ASN CB C 8 36.400 37.350 -0.950 1
1 110 . 1 1 1 A 8 8 ASN N N 8 121.700 122.585 -0.885 1
1 112 . 1 1 1 A 9 9 ASN HA H 9 4.180 4.441 -0.261 1
1 117 . 1 1 1 A 9 9 ASN CA C 9 54.800 54.428 0.372 1
1 118 . 1 1 1 A 9 9 ASN CB C 9 38.200 37.253 0.947 1
1 120 . 1 1 1 A 10 10 VAL H H 10 8.220 7.397 0.823 1
1 121 . 1 1 1 A 10 10 VAL HA H 10 4.090 4.116 -0.026 1
1 129 . 1 1 1 A 10 10 VAL CA C 10 62.820 61.926 0.894 1
1 130 . 1 1 1 A 10 10 VAL CB C 10 32.450 31.694 0.756 1
1 133 . 1 1 1 A 10 10 VAL N N 10 124.500 121.243 3.257 1
1 134 . 1 1 1 A 11 11 THR H H 11 8.496 8.804 -0.308 1
1 135 . 1 1 1 A 11 11 THR HA H 11 4.670 4.493 0.177 1
1 140 . 1 1 1 A 11 11 THR CA C 11 63.830 63.164 0.666 1
1 141 . 1 1 1 A 11 11 THR CB C 11 68.980 69.434 -0.454 1
1 143 . 1 1 1 A 11 11 THR N N 11 123.600 123.678 -0.078 1
1 144 . 1 1 1 A 12 12 LEU H H 12 9.700 9.036 0.664 1
1 145 . 1 1 1 A 12 12 LEU HA H 12 4.670 5.016 -0.346 1
1 155 . 1 1 1 A 12 12 LEU CA C 12 53.480 53.607 -0.127 1
1 156 . 1 1 1 A 12 12 LEU CB C 12 46.060 46.675 -0.615 1
1 160 . 1 1 1 A 12 12 LEU N N 12 129.900 128.404 1.496 1
1 161 . 1 1 1 A 13 13 GLU H H 13 8.500 8.613 -0.113 1
1 162 . 1 1 1 A 13 13 GLU HA H 13 4.850 4.889 -0.039 1
1 167 . 1 1 1 A 13 13 GLU CA C 13 54.500 54.709 -0.209 1
1 168 . 1 1 1 A 13 13 GLU CB C 13 31.600 32.964 -1.364 1
1 170 . 1 1 1 A 13 13 GLU N N 13 121.100 124.994 -3.894 1
1 171 . 1 1 1 A 14 14 MET H H 14 9.340 8.596 0.744 1
1 172 . 1 1 1 A 14 14 MET HA H 14 4.750 4.854 -0.104 1
1 180 . 1 1 1 A 14 14 MET CA C 14 55.380 53.986 1.394 1
1 181 . 1 1 1 A 14 14 MET CB C 14 33.823 35.903 -2.080 1
1 184 . 1 1 1 A 14 14 MET N N 14 124.300 118.516 5.784 1
1 185 . 1 1 1 A 15 15 ALA H H 15 9.040 8.445 0.595 1
1 186 . 1 1 1 A 15 15 ALA HA H 15 4.490 4.507 -0.017 1
1 190 . 1 1 1 A 15 15 ALA CA C 15 52.570 53.389 -0.819 1
1 191 . 1 1 1 A 15 15 ALA CB C 15 19.870 21.506 -1.636 1
1 192 . 1 1 1 A 15 15 ALA N N 15 125.900 121.036 4.864 1
1 193 . 1 1 1 A 16 16 ALA H H 16 7.880 7.839 0.041 1
1 194 . 1 1 1 A 16 16 ALA HA H 16 4.526 4.597 -0.071 1
1 198 . 1 1 1 A 16 16 ALA CA C 16 52.580 50.661 1.919 1
1 199 . 1 1 1 A 16 16 ALA CB C 16 21.400 19.180 2.220 1
1 200 . 1 1 1 A 16 16 ALA N N 16 119.400 119.938 -0.538 1
1 201 . 1 1 1 A 17 17 TYR H H 17 8.270 9.202 -0.932 1
1 202 . 1 1 1 A 17 17 TYR HA H 17 5.290 4.845 0.445 1
1 209 . 1 1 1 A 17 17 TYR CA C 17 59.160 58.126 1.034 1
1 210 . 1 1 1 A 17 17 TYR CB C 17 41.700 38.592 3.108 1
1 215 . 1 1 1 A 17 17 TYR N N 17 120.300 126.555 -6.255 1
1 216 . 1 1 1 A 18 18 GLN H H 18 8.610 9.110 -0.500 1
1 217 . 1 1 1 A 18 18 GLN HA H 18 4.350 4.898 -0.548 1
1 224 . 1 1 1 A 18 18 GLN CA C 18 54.920 54.343 0.577 1
1 225 . 1 1 1 A 18 18 GLN CB C 18 32.570 31.800 0.770 1
1 227 . 1 1 1 A 18 18 GLN N N 18 128.000 127.434 0.566 1
1 229 . 1 1 1 A 19 19 GLU H H 19 8.370 8.892 -0.522 1
1 230 . 1 1 1 A 19 19 GLU HA H 19 5.015 5.342 -0.327 1
1 235 . 1 1 1 A 19 19 GLU CA C 19 54.700 55.098 -0.398 1
1 236 . 1 1 1 A 19 19 GLU CB C 19 34.800 31.488 3.312 1
1 238 . 1 1 1 A 19 19 GLU N N 19 122.900 125.155 -2.255 1
1 239 . 1 1 1 A 20 20 GLU H H 20 8.920 8.920 0.000 1
1 240 . 1 1 1 A 20 20 GLU HA H 20 4.740 4.464 0.276 1
1 245 . 1 1 1 A 20 20 GLU CA C 20 55.100 55.734 -0.634 1
1 246 . 1 1 1 A 20 20 GLU CB C 20 33.800 29.678 4.122 1
1 248 . 1 1 1 A 20 20 GLU N N 20 123.300 125.680 -2.380 1
1 249 . 1 1 1 A 21 21 SER H H 21 9.070 8.782 0.288 1
1 250 . 1 1 1 A 21 21 SER HA H 21 4.430 4.579 -0.149 1
1 253 . 1 1 1 A 21 21 SER CA C 21 59.300 59.118 0.182 1
1 254 . 1 1 1 A 21 21 SER CB C 21 65.000 63.820 1.180 1
1 255 . 1 1 1 A 21 21 SER N N 21 114.800 121.812 -7.012 1
1 256 . 1 1 1 A 22 22 GLU H H 22 7.670 7.652 0.018 1
1 257 . 1 1 1 A 22 22 GLU HA H 22 4.500 4.746 -0.246 1
1 262 . 1 1 1 A 22 22 GLU CA C 22 53.100 53.530 -0.430 1
1 263 . 1 1 1 A 22 22 GLU CB C 22 31.750 31.158 0.592 1
1 265 . 1 1 1 A 22 22 GLU N N 22 119.913 119.260 0.653 1
1 266 . 1 1 1 A 23 23 PRO HA H 23 4.636 4.206 0.430 1
1 273 . 1 1 1 A 23 23 PRO CA C 23 64.200 65.697 -1.497 1
1 274 . 1 1 1 A 23 23 PRO CB C 23 34.200 31.638 2.562 1
1 277 . 1 1 1 A 24 24 LYS H H 24 7.370 9.084 -1.714 1
1 278 . 1 1 1 A 24 24 LYS HA H 24 4.480 4.612 -0.132 1
1 287 . 1 1 1 A 24 24 LYS CA C 24 54.200 55.285 -1.085 1
1 288 . 1 1 1 A 24 24 LYS CB C 24 36.400 35.131 1.269 1
1 292 . 1 1 1 A 24 24 LYS N N 24 119.400 116.099 3.301 1
1 293 . 1 1 1 A 25 25 ARG H H 25 8.730 8.578 0.152 1
1 294 . 1 1 1 A 25 25 ARG HA H 25 4.470 5.600 -1.130 1
1 302 . 1 1 1 A 25 25 ARG CA C 25 57.000 55.926 1.074 1
1 303 . 1 1 1 A 25 25 ARG CB C 25 28.900 29.427 -0.527 1
1 306 . 1 1 1 A 25 25 ARG N N 25 121.900 124.716 -2.816 1
1 308 . 1 1 1 A 26 26 LYS H H 26 8.220 8.396 -0.176 1
1 309 . 1 1 1 A 26 26 LYS HA H 26 5.270 5.204 0.066 1
1 318 . 1 1 1 A 26 26 LYS CA C 26 55.000 54.708 0.292 1
1 319 . 1 1 1 A 26 26 LYS CB C 26 36.900 34.121 2.779 1
1 323 . 1 1 1 A 26 26 LYS N N 26 124.500 126.110 -1.610 1
1 324 . 1 1 1 A 27 27 ILE H H 27 9.100 9.394 -0.294 1
1 325 . 1 1 1 A 27 27 ILE HA H 27 5.320 4.357 0.963 1
1 335 . 1 1 1 A 27 27 ILE CA C 27 59.000 60.777 -1.777 1
1 336 . 1 1 1 A 27 27 ILE CB C 27 42.480 36.851 5.629 1
1 340 . 1 1 1 A 27 27 ILE N N 27 116.400 129.240 -12.840 1
1 341 . 1 1 1 A 28 28 ALA H H 28 8.730 8.797 -0.067 1
1 342 . 1 1 1 A 28 28 ALA HA H 28 5.460 4.683 0.777 1
1 346 . 1 1 1 A 28 28 ALA CA C 28 50.600 50.261 0.339 1
1 347 . 1 1 1 A 28 28 ALA CB C 28 21.960 19.788 2.172 1
1 348 . 1 1 1 A 28 28 ALA N N 28 124.900 131.066 -6.166 1
1 349 . 1 1 1 A 29 29 PHE H H 29 8.750 7.934 0.816 1
1 350 . 1 1 1 A 29 29 PHE HA H 29 5.420 5.657 -0.237 1
1 355 . 1 1 1 A 29 29 PHE CA C 29 55.680 55.611 0.069 1
1 356 . 1 1 1 A 29 29 PHE CB C 29 43.100 41.444 1.656 1
1 359 . 1 1 1 A 29 29 PHE N N 29 118.800 121.417 -2.617 1
1 360 . 1 1 1 A 30 30 THR H H 30 7.980 9.058 -1.078 1
1 361 . 1 1 1 A 30 30 THR HA H 30 5.690 4.988 0.702 1
1 366 . 1 1 1 A 30 30 THR CA C 30 59.900 62.843 -2.943 1
1 367 . 1 1 1 A 30 30 THR CB C 30 71.130 68.926 2.204 1
1 369 . 1 1 1 A 30 30 THR N N 30 114.100 119.666 -5.566 1
1 370 . 1 1 1 A 31 31 LEU H H 31 9.360 9.210 0.150 1
1 371 . 1 1 1 A 31 31 LEU HA H 31 5.020 5.050 -0.030 1
1 381 . 1 1 1 A 31 31 LEU CA C 31 52.990 53.889 -0.899 1
1 382 . 1 1 1 A 31 31 LEU CB C 31 45.400 44.277 1.123 1
1 386 . 1 1 1 A 31 31 LEU N N 31 125.300 129.545 -4.245 1
1 387 . 1 1 1 A 32 32 ASN H H 32 9.160 8.978 0.182 1
1 388 . 1 1 1 A 32 32 ASN HA H 32 5.210 5.856 -0.646 1
1 393 . 1 1 1 A 32 32 ASN CA C 32 52.660 52.415 0.245 1
1 394 . 1 1 1 A 32 32 ASN CB C 32 38.600 37.644 0.956 1
1 395 . 1 1 1 A 32 32 ASN N N 32 123.600 125.676 -2.076 1
1 397 . 1 1 1 A 33 33 VAL H H 33 8.880 8.247 0.633 1
1 398 . 1 1 1 A 33 33 VAL HA H 33 4.080 4.249 -0.169 1
1 406 . 1 1 1 A 33 33 VAL CA C 33 61.940 62.987 -1.047 1
1 407 . 1 1 1 A 33 33 VAL CB C 33 34.600 32.264 2.336 1
1 410 . 1 1 1 A 33 33 VAL N N 33 124.500 125.340 -0.840 1
1 411 . 1 1 1 A 34 34 THR H H 34 7.650 8.288 -0.638 1
1 412 . 1 1 1 A 34 34 THR HA H 34 5.130 4.769 0.361 1
1 417 . 1 1 1 A 34 34 THR CA C 34 59.200 60.136 -0.936 1
1 418 . 1 1 1 A 34 34 THR CB C 34 72.830 71.745 1.085 1
1 420 . 1 1 1 A 34 34 THR N N 34 114.300 116.491 -2.191 1
1 421 . 1 1 1 A 35 35 SER H H 35 9.330 8.983 0.347 1
1 422 . 1 1 1 A 35 35 SER HA H 35 4.020 4.307 -0.287 1
1 425 . 1 1 1 A 35 35 SER CA C 35 62.000 60.352 1.648 1
1 426 . 1 1 1 A 35 35 SER CB C 35 62.400 62.907 -0.507 1
1 427 . 1 1 1 A 35 35 SER N N 35 116.200 116.428 -0.228 1
1 428 . 1 1 1 A 36 36 GLU H H 36 8.360 7.779 0.581 1
1 429 . 1 1 1 A 36 36 GLU HA H 36 4.330 4.028 0.302 1
1 434 . 1 1 1 A 36 36 GLU CA C 36 58.900 59.212 -0.312 1
1 435 . 1 1 1 A 36 36 GLU CB C 36 30.200 29.621 0.579 1
1 437 . 1 1 1 A 36 36 GLU N N 36 119.200 121.718 -2.518 1
1 438 . 1 1 1 A 37 37 THR H H 37 7.580 7.691 -0.111 1
1 439 . 1 1 1 A 37 37 THR HA H 37 4.650 4.450 0.200 1
1 444 . 1 1 1 A 37 37 THR CA C 37 61.620 61.913 -0.293 1
1 445 . 1 1 1 A 37 37 THR CB C 37 70.630 69.658 0.972 1
1 447 . 1 1 1 A 37 37 THR N N 37 108.800 111.463 -2.663 1
1 448 . 1 1 1 A 38 38 TYR H H 38 7.990 7.802 0.188 1
1 449 . 1 1 1 A 38 38 TYR HA H 38 3.890 3.947 -0.057 1
1 456 . 1 1 1 A 38 38 TYR CA C 38 61.980 60.647 1.333 1
1 457 . 1 1 1 A 38 38 TYR CB C 38 38.600 38.700 -0.100 1
1 462 . 1 1 1 A 38 38 TYR N N 38 121.700 123.063 -1.363 1
1 463 . 1 1 1 A 39 39 HIS H H 39 8.770 7.776 0.994 1
1 464 . 1 1 1 A 39 39 HIS HA H 39 3.950 4.128 -0.178 1
1 468 . 1 1 1 A 39 39 HIS CA C 39 60.450 59.663 0.787 1
1 469 . 1 1 1 A 39 39 HIS CB C 39 28.350 29.927 -1.577 1
1 471 . 1 1 1 A 39 39 HIS N N 39 116.400 118.198 -1.798 1
1 472 . 1 1 1 A 40 40 ASP H H 40 8.180 8.062 0.118 1
1 473 . 1 1 1 A 40 40 ASP HA H 40 4.280 4.313 -0.033 1
1 476 . 1 1 1 A 40 40 ASP CA C 40 57.230 56.931 0.299 1
1 477 . 1 1 1 A 40 40 ASP CB C 40 39.980 40.769 -0.789 1
1 478 . 1 1 1 A 40 40 ASP N N 40 117.200 118.098 -0.898 1
1 479 . 1 1 1 A 41 41 ILE H H 41 7.700 7.377 0.323 1
1 480 . 1 1 1 A 41 41 ILE HA H 41 3.740 3.636 0.104 1
1 490 . 1 1 1 A 41 41 ILE CA C 41 63.400 64.703 -1.303 1
1 491 . 1 1 1 A 41 41 ILE CB C 41 37.000 36.633 0.367 1
1 495 . 1 1 1 A 41 41 ILE N N 41 120.600 121.292 -0.692 1
1 496 . 1 1 1 A 42 42 ALA H H 42 8.630 7.840 0.790 1
1 497 . 1 1 1 A 42 42 ALA HA H 42 3.790 3.691 0.099 1
1 501 . 1 1 1 A 42 42 ALA CA C 42 55.780 54.113 1.667 1
1 502 . 1 1 1 A 42 42 ALA CB C 42 17.400 17.772 -0.372 1
1 503 . 1 1 1 A 42 42 ALA N N 42 122.900 123.600 -0.700 1
1 504 . 1 1 1 A 43 43 VAL H H 43 7.650 7.146 0.504 1
1 505 . 1 1 1 A 43 43 VAL HA H 43 3.390 3.955 -0.565 1
1 513 . 1 1 1 A 43 43 VAL CA C 43 65.700 65.103 0.597 1
1 514 . 1 1 1 A 43 43 VAL CB C 43 31.740 32.556 -0.816 1
1 517 . 1 1 1 A 43 43 VAL N N 43 114.600 115.126 -0.526 1
1 518 . 1 1 1 A 44 44 LEU H H 44 7.250 7.101 0.149 1
1 519 . 1 1 1 A 44 44 LEU HA H 44 4.300 4.109 0.191 1
1 529 . 1 1 1 A 44 44 LEU CA C 44 57.900 55.342 2.558 1
1 530 . 1 1 1 A 44 44 LEU CB C 44 42.250 42.583 -0.333 1
1 534 . 1 1 1 A 44 44 LEU N N 44 122.800 121.923 0.877 1
1 535 . 1 1 1 A 45 45 LEU H H 45 8.060 8.447 -0.387 1
1 536 . 1 1 1 A 45 45 LEU HA H 45 4.430 4.556 -0.126 1
1 546 . 1 1 1 A 45 45 LEU CA C 45 55.200 52.878 2.322 1
1 547 . 1 1 1 A 45 45 LEU CB C 45 41.600 43.800 -2.200 1
1 551 . 1 1 1 A 46 46 TYR H H 46 8.040 9.189 -1.149 1
1 552 . 1 1 1 A 46 46 TYR HA H 46 5.380 4.314 1.066 1
1 559 . 1 1 1 A 46 46 TYR CA C 46 56.900 61.594 -4.694 1
1 560 . 1 1 1 A 46 46 TYR CB C 46 40.500 36.656 3.844 1
1 565 . 1 1 1 A 46 46 TYR N N 46 122.700 120.372 2.328 1
1 566 . 1 1 1 A 47 47 GLU HA H 47 4.000 4.230 -0.230 1
1 571 . 1 1 1 A 47 47 GLU CA C 47 57.700 58.560 -0.860 1
1 572 . 1 1 1 A 47 47 GLU CB C 47 29.800 28.957 0.843 1
1 574 . 1 1 1 A 48 48 LYS HA H 48 4.660 4.625 0.035 1
1 583 . 1 1 1 A 48 48 LYS CA C 48 57.450 55.050 2.400 1
1 584 . 1 1 1 A 48 48 LYS CB C 48 36.800 34.675 2.125 1
1 588 . 1 1 1 A 49 49 THR H H 49 7.540 8.271 -0.731 1
1 589 . 1 1 1 A 49 49 THR HA H 49 4.830 4.554 0.276 1
1 594 . 1 1 1 A 49 49 THR CA C 49 60.360 61.927 -1.567 1
1 595 . 1 1 1 A 49 49 THR CB C 49 70.850 69.708 1.142 1
1 597 . 1 1 1 A 49 49 THR N N 49 115.800 114.694 1.106 1
1 598 . 1 1 1 A 50 50 PHE H H 50 9.030 8.969 0.061 1
1 599 . 1 1 1 A 50 50 PHE HA H 50 5.150 5.103 0.047 1
1 606 . 1 1 1 A 50 50 PHE CA C 50 55.680 55.948 -0.268 1
1 607 . 1 1 1 A 50 50 PHE CB C 50 44.220 42.395 1.825 1
1 612 . 1 1 1 A 50 50 PHE N N 50 118.300 125.408 -7.108 1
1 613 . 1 1 1 A 51 51 ASN H H 51 8.810 9.000 -0.190 1
1 614 . 1 1 1 A 51 51 ASN HA H 51 4.920 5.121 -0.201 1
1 619 . 1 1 1 A 51 51 ASN CA C 51 53.960 51.864 2.096 1
1 620 . 1 1 1 A 51 51 ASN CB C 51 37.900 38.410 -0.510 1
1 621 . 1 1 1 A 51 51 ASN N N 51 121.100 123.381 -2.281 1
1 623 . 1 1 1 A 52 52 VAL H H 52 9.140 8.452 0.688 1
1 624 . 1 1 1 A 52 52 VAL HA H 52 4.370 4.367 0.003 1
1 632 . 1 1 1 A 52 52 VAL CA C 52 61.660 62.584 -0.924 1
1 633 . 1 1 1 A 52 52 VAL CB C 52 32.590 31.579 1.011 1
1 636 . 1 1 1 A 52 52 VAL N N 52 129.300 125.855 3.445 1
1 637 . 1 1 1 A 53 53 GLU H H 53 9.020 9.440 -0.420 1
1 638 . 1 1 1 A 53 53 GLU HA H 53 5.090 5.834 -0.744 1
1 643 . 1 1 1 A 53 53 GLU CA C 53 55.500 54.697 0.803 1
1 644 . 1 1 1 A 53 53 GLU CB C 53 31.940 32.925 -0.985 1
1 646 . 1 1 1 A 53 53 GLU N N 53 125.400 129.470 -4.070 1
1 647 . 1 1 1 A 54 54 VAL H H 54 8.840 8.702 0.138 1
1 648 . 1 1 1 A 54 54 VAL HA H 54 4.680 4.618 0.062 1
1 656 . 1 1 1 A 54 54 VAL CA C 54 58.900 58.184 0.716 1
1 657 . 1 1 1 A 54 54 VAL CB C 54 31.900 34.710 -2.810 1
1 660 . 1 1 1 A 54 54 VAL N N 54 123.100 126.199 -3.099 1
1 661 . 1 1 1 A 55 55 PRO HA H 55 4.480 4.319 0.161 1
1 668 . 1 1 1 A 55 55 PRO CA C 55 65.720 64.853 0.867 1
1 669 . 1 1 1 A 55 55 PRO CB C 55 32.040 32.094 -0.054 1
1 672 . 1 1 1 A 56 56 GLU H H 56 10.050 8.245 1.805 1
1 673 . 1 1 1 A 56 56 GLU HA H 56 4.145 4.081 0.064 1
1 678 . 1 1 1 A 56 56 GLU CA C 56 58.580 59.464 -0.884 1
1 679 . 1 1 1 A 56 56 GLU CB C 56 30.000 29.415 0.585 1
1 681 . 1 1 1 A 56 56 GLU N N 56 118.000 117.922 0.078 1
1 682 . 1 1 1 A 57 57 ARG H H 57 7.550 7.797 -0.247 1
1 683 . 1 1 1 A 57 57 ARG HA H 57 4.480 4.374 0.106 1
1 691 . 1 1 1 A 57 57 ARG CA C 57 52.560 56.034 -3.474 1
1 692 . 1 1 1 A 57 57 ARG CB C 57 29.990 30.260 -0.270 1
1 695 . 1 1 1 A 57 57 ARG N N 57 116.400 116.934 -0.534 1
1 697 . 1 1 1 A 58 58 ASP H H 58 7.920 8.144 -0.224 1
1 698 . 1 1 1 A 58 58 ASP HA H 58 4.250 4.306 -0.056 1
1 701 . 1 1 1 A 58 58 ASP CA C 58 55.420 54.913 0.507 1
1 702 . 1 1 1 A 58 58 ASP CB C 58 39.860 39.283 0.577 1
1 703 . 1 1 1 A 58 58 ASP N N 58 118.400 119.109 -0.709 1
1 704 . 1 1 1 A 59 59 LEU H H 59 6.930 7.794 -0.864 1
1 705 . 1 1 1 A 59 59 LEU HA H 59 4.770 4.686 0.084 1
1 715 . 1 1 1 A 59 59 LEU CA C 59 53.830 54.395 -0.565 1
1 716 . 1 1 1 A 59 59 LEU CB C 59 45.800 43.702 2.098 1
1 720 . 1 1 1 A 59 59 LEU N N 59 116.500 120.659 -4.159 1
1 721 . 1 1 1 A 60 60 ALA H H 60 8.690 8.852 -0.162 1
1 722 . 1 1 1 A 60 60 ALA HA H 60 5.353 4.624 0.729 1
1 726 . 1 1 1 A 60 60 ALA CA C 60 52.020 51.294 0.726 1
1 727 . 1 1 1 A 60 60 ALA CB C 60 21.060 18.315 2.745 1
1 728 . 1 1 1 A 60 60 ALA N N 60 130.000 128.828 1.172 1
1 729 . 1 1 1 A 61 61 PHE H H 61 8.470 9.488 -1.018 1
1 730 . 1 1 1 A 61 61 PHE HA H 61 4.933 5.214 -0.281 1
1 737 . 1 1 1 A 61 61 PHE CA C 61 56.500 56.822 -0.322 1
1 738 . 1 1 1 A 61 61 PHE CB C 61 39.720 42.321 -2.601 1
1 743 . 1 1 1 A 61 61 PHE N N 61 117.500 125.791 -8.291 1
1 744 . 1 1 1 A 62 62 ARG H H 62 9.270 8.228 1.042 1
1 745 . 1 1 1 A 62 62 ARG HA H 62 5.290 4.924 0.366 1
1 753 . 1 1 1 A 62 62 ARG CA C 62 54.950 54.471 0.479 1
1 754 . 1 1 1 A 62 62 ARG CB C 62 30.800 31.963 -1.163 1
1 757 . 1 1 1 A 62 62 ARG N N 62 122.500 126.413 -3.913 1
1 759 . 1 1 1 A 63 63 GLY H H 63 9.370 8.605 0.765 1
1 760 . 1 1 1 A 63 63 GLY HA2 H 63 5.440 3.879 1.561 1
1 761 . 1 1 1 A 63 63 GLY HA3 H 63 3.460 4.187 -0.727 1
1 762 . 1 1 1 A 63 63 GLY CA C 63 45.000 44.299 0.701 1
1 763 . 1 1 1 A 63 63 GLY N N 63 112.700 113.495 -0.795 1
1 764 . 1 1 1 A 64 64 GLU H H 64 9.090 8.786 0.304 1
1 765 . 1 1 1 A 64 64 GLU HA H 64 5.410 5.076 0.334 1
1 770 . 1 1 1 A 64 64 GLU CA C 64 53.160 55.343 -2.183 1
1 771 . 1 1 1 A 64 64 GLU CB C 64 33.500 32.089 1.411 1
1 773 . 1 1 1 A 64 64 GLU N N 64 118.400 117.395 1.005 1
1 774 . 1 1 1 A 65 65 MET H H 65 9.320 8.762 0.558 1
1 775 . 1 1 1 A 65 65 MET HA H 65 5.070 4.755 0.315 1
1 783 . 1 1 1 A 65 65 MET CA C 65 56.700 54.712 1.988 1
1 784 . 1 1 1 A 65 65 MET CB C 65 34.500 34.439 0.061 1
1 787 . 1 1 1 A 65 65 MET N N 65 124.900 122.611 2.289 1
1 788 . 1 1 1 A 66 66 THR H H 66 8.970 8.424 0.546 1
1 789 . 1 1 1 A 66 66 THR HA H 66 4.480 3.932 0.548 1
1 794 . 1 1 1 A 66 66 THR CA C 66 61.970 63.487 -1.517 1
1 795 . 1 1 1 A 66 66 THR CB C 66 69.160 69.899 -0.739 1
1 797 . 1 1 1 A 66 66 THR N N 66 120.300 119.628 0.672 1
1 798 . 1 1 1 A 67 67 ASN H H 67 7.850 7.133 0.717 1
1 799 . 1 1 1 A 67 67 ASN HA H 67 4.850 3.361 1.489 1
1 804 . 1 1 1 A 67 67 ASN CA C 67 54.240 53.899 0.341 1
1 805 . 1 1 1 A 67 67 ASN CB C 67 41.900 36.625 5.275 1
1 806 . 1 1 1 A 67 67 ASN N N 67 119.200 114.682 4.518 1
1 808 . 1 1 1 A 68 68 TYR H H 68 8.720 7.703 1.017 1
1 809 . 1 1 1 A 68 68 TYR HA H 68 4.611 4.730 -0.119 1
1 812 . 1 1 1 A 68 68 TYR CA C 68 54.600 57.193 -2.593 1
1 813 . 1 1 1 A 68 68 TYR CB C 68 41.180 38.438 2.742 1
1 814 . 1 1 1 A 68 68 TYR N N 68 123.200 117.661 5.539 1
1 815 . 1 1 1 A 69 69 SER H H 69 8.160 7.438 0.722 1
1 816 . 1 1 1 A 69 69 SER HA H 69 4.450 4.412 0.038 1
1 819 . 1 1 1 A 69 69 SER CA C 69 58.913 59.861 -0.948 1
1 820 . 1 1 1 A 69 69 SER CB C 69 65.000 63.548 1.452 1
1 821 . 1 1 1 A 69 69 SER N N 69 115.000 116.660 -1.660 1
1 822 . 1 1 1 A 70 70 THR H H 70 8.250 7.722 0.528 1
1 823 . 1 1 1 A 70 70 THR HA H 70 4.200 4.082 0.118 1
1 828 . 1 1 1 A 70 70 THR CA C 70 62.200 63.923 -1.723 1
1 829 . 1 1 1 A 70 70 THR CB C 70 70.060 66.685 3.375 1
1 831 . 1 1 1 A 70 70 THR N N 70 111.000 113.154 -2.154 1
1 832 . 1 1 1 A 71 71 SER HA H 71 4.610 4.865 -0.255 1
1 835 . 1 1 1 A 71 71 SER CA C 71 58.100 58.051 0.049 1
1 836 . 1 1 1 A 71 71 SER CB C 71 63.600 65.931 -2.331 1
1 837 . 1 1 1 A 72 72 LEU H H 72 8.290 8.862 -0.572 1
1 838 . 1 1 1 A 72 72 LEU HA H 72 4.300 4.613 -0.313 1
1 847 . 1 1 1 A 72 72 LEU CA C 72 56.500 52.917 3.583 1
1 848 . 1 1 1 A 72 72 LEU CB C 72 40.600 45.347 -4.747 1
1 852 . 1 1 1 A 72 72 LEU N N 72 122.300 120.762 1.538 1
1 853 . 1 1 1 A 73 73 THR H H 73 8.000 8.386 -0.386 1
1 854 . 1 1 1 A 73 73 THR HA H 73 5.110 4.108 1.002 1
1 859 . 1 1 1 A 73 73 THR CA C 73 59.300 63.901 -4.601 1
1 860 . 1 1 1 A 73 73 THR CB C 73 71.950 67.276 4.674 1
1 862 . 1 1 1 A 74 74 ASN H H 74 8.370 8.703 -0.333 1
1 863 . 1 1 1 A 74 74 ASN HA H 74 4.660 4.999 -0.339 1
1 868 . 1 1 1 A 74 74 ASN CA C 74 52.780 54.890 -2.110 1
1 869 . 1 1 1 A 74 74 ASN CB C 74 38.360 40.848 -2.488 1
1 870 . 1 1 1 A 74 74 ASN N N 74 121.500 120.868 0.632 1
1 872 . 1 1 1 A 75 75 LEU H H 75 8.020 8.015 0.005 1
1 873 . 1 1 1 A 75 75 LEU HA H 75 3.970 4.898 -0.928 1
1 883 . 1 1 1 A 75 75 LEU CA C 75 55.500 53.500 2.000 1
1 884 . 1 1 1 A 75 75 LEU CB C 75 41.800 44.697 -2.897 1
1 888 . 1 1 1 A 75 75 LEU N N 75 123.200 117.324 5.876 1
1 889 . 1 1 1 A 76 76 TYR H H 76 7.930 8.522 -0.592 1
1 890 . 1 1 1 A 76 76 TYR HA H 76 4.450 4.700 -0.250 1
1 897 . 1 1 1 A 76 76 TYR CA C 76 58.000 58.870 -0.870 1
1 898 . 1 1 1 A 76 76 TYR CB C 76 37.700 37.329 0.371 1
1 903 . 1 1 1 A 76 76 TYR N N 76 116.100 117.366 -1.266 1
1 904 . 1 1 1 A 77 77 GLU H H 77 7.410 8.645 -1.235 1
1 905 . 1 1 1 A 77 77 GLU HA H 77 4.650 4.258 0.392 1
1 910 . 1 1 1 A 77 77 GLU CA C 77 53.700 54.706 -1.006 1
1 911 . 1 1 1 A 77 77 GLU CB C 77 30.200 30.230 -0.030 1
1 913 . 1 1 1 A 77 77 GLU N N 77 122.300 123.369 -1.069 1
1 914 . 1 1 1 A 78 78 PRO HA H 78 4.340 4.861 -0.521 1
1 921 . 1 1 1 A 78 78 PRO CA C 78 64.000 62.316 1.684 1
1 922 . 1 1 1 A 78 78 PRO CB C 78 31.740 31.917 -0.177 1
1 925 . 1 1 1 A 79 79 GLY H H 79 8.980 8.343 0.637 1
1 926 . 1 1 1 A 79 79 GLY HA2 H 79 3.822 4.031 -0.209 1
1 927 . 1 1 1 A 79 79 GLY HA3 H 79 4.090 4.032 0.058 1
1 928 . 1 1 1 A 79 79 GLY CA C 79 45.570 45.103 0.467 1
1 929 . 1 1 1 A 79 79 GLY N N 79 112.300 108.384 3.916 1
1 930 . 1 1 1 A 80 80 ALA H H 80 7.670 8.058 -0.388 1
1 931 . 1 1 1 A 80 80 ALA HA H 80 4.300 4.636 -0.336 1
1 935 . 1 1 1 A 80 80 ALA CA C 80 52.880 51.088 1.792 1
1 936 . 1 1 1 A 80 80 ALA CB C 80 20.670 19.406 1.264 1
1 937 . 1 1 1 A 80 80 ALA N N 80 123.200 123.033 0.167 1
1 938 . 1 1 1 A 81 81 VAL H H 81 8.280 7.833 0.447 1
1 939 . 1 1 1 A 81 81 VAL HA H 81 4.410 4.290 0.120 1
1 947 . 1 1 1 A 81 81 VAL CA C 81 61.540 63.098 -1.558 1
1 948 . 1 1 1 A 81 81 VAL CB C 81 34.000 32.681 1.319 1
1 951 . 1 1 1 A 82 82 SER H H 82 8.970 8.940 0.030 1
1 952 . 1 1 1 A 82 82 SER HA H 82 4.685 4.457 0.228 1
1 955 . 1 1 1 A 82 82 SER CA C 82 57.180 58.104 -0.924 1
1 956 . 1 1 1 A 82 82 SER CB C 82 65.200 62.462 2.738 1
1 957 . 1 1 1 A 82 82 SER N N 82 122.000 116.398 5.602 1
1 958 . 1 1 1 A 83 83 GLU H H 83 8.360 8.011 0.349 1
1 959 . 1 1 1 A 83 83 GLU HA H 83 4.500 4.277 0.223 1
1 964 . 1 1 1 A 83 83 GLU CA C 83 53.020 56.447 -3.427 1
1 965 . 1 1 1 A 83 83 GLU CB C 83 31.800 29.630 2.170 1
1 967 . 1 1 1 A 83 83 GLU N N 83 122.800 125.458 -2.658 1
1 968 . 1 1 1 A 84 84 PHE H H 84 9.160 9.292 -0.132 1
1 969 . 1 1 1 A 84 84 PHE HA H 84 4.920 5.027 -0.107 1
1 977 . 1 1 1 A 84 84 PHE CA C 84 54.840 56.235 -1.395 1
1 978 . 1 1 1 A 84 84 PHE CB C 84 40.690 43.319 -2.629 1
1 984 . 1 1 1 A 84 84 PHE N N 84 123.800 121.973 1.827 1
1 985 . 1 1 1 A 85 85 TYR H H 85 8.810 9.159 -0.349 1
1 986 . 1 1 1 A 85 85 TYR HA H 85 5.050 5.139 -0.089 1
1 993 . 1 1 1 A 85 85 TYR CA C 85 56.190 57.209 -1.019 1
1 994 . 1 1 1 A 85 85 TYR CB C 85 37.800 40.171 -2.371 1
1 999 . 1 1 1 A 85 85 TYR N N 85 123.600 118.771 4.829 1
1 1000 . 1 1 1 A 86 86 ILE H H 86 8.340 8.700 -0.360 1
1 1001 . 1 1 1 A 86 86 ILE HA H 86 4.520 4.532 -0.012 1
1 1011 . 1 1 1 A 86 86 ILE CA C 86 59.340 60.411 -1.071 1
1 1012 . 1 1 1 A 86 86 ILE CB C 86 40.300 38.183 2.117 1
1 1016 . 1 1 1 A 86 86 ILE N N 86 126.200 123.976 2.224 1
1 1017 . 1 1 1 A 87 87 GLU H H 87 8.200 8.477 -0.277 1
1 1018 . 1 1 1 A 87 87 GLU HA H 87 5.330 4.888 0.442 1
1 1023 . 1 1 1 A 87 87 GLU CA C 87 54.500 55.452 -0.952 1
1 1024 . 1 1 1 A 87 87 GLU CB C 87 34.100 30.570 3.530 1
1 1026 . 1 1 1 A 87 87 GLU N N 87 124.600 125.703 -1.103 1
1 1027 . 1 1 1 A 88 88 ILE H H 88 9.250 8.994 0.256 1
1 1028 . 1 1 1 A 88 88 ILE HA H 88 5.080 4.751 0.329 1
1 1038 . 1 1 1 A 88 88 ILE CA C 88 59.900 60.076 -0.176 1
1 1039 . 1 1 1 A 88 88 ILE CB C 88 42.100 38.607 3.493 1
1 1043 . 1 1 1 A 88 88 ILE N N 88 124.900 126.659 -1.759 1
1 1044 . 1 1 1 A 89 89 THR H H 89 9.020 8.262 0.758 1
1 1045 . 1 1 1 A 89 89 THR HA H 89 4.960 4.732 0.228 1
1 1050 . 1 1 1 A 89 89 THR CA C 89 61.600 60.720 0.880 1
1 1051 . 1 1 1 A 89 89 THR CB C 89 70.000 70.252 -0.252 1
1 1053 . 1 1 1 A 89 89 THR N N 89 122.900 119.638 3.262 1
1 1054 . 1 1 1 A 90 90 GLU H H 90 8.910 8.243 0.667 1
1 1055 . 1 1 1 A 90 90 GLU HA H 90 4.730 4.644 0.086 1
1 1060 . 1 1 1 A 90 90 GLU CA C 90 57.300 57.559 -0.259 1
1 1061 . 1 1 1 A 90 90 GLU CB C 90 30.570 30.257 0.313 1
1 1063 . 1 1 1 A 90 90 GLU N N 90 128.600 123.483 5.117 1
1 1064 . 1 1 1 A 91 91 ILE H H 91 8.550 8.705 -0.155 1
1 1065 . 1 1 1 A 91 91 ILE HA H 91 4.230 4.182 0.048 1
1 1075 . 1 1 1 A 91 91 ILE CA C 91 61.400 62.382 -0.982 1
1 1076 . 1 1 1 A 91 91 ILE CB C 91 39.800 38.867 0.933 1
1 1080 . 1 1 1 A 91 91 ILE N N 91 124.600 128.624 -4.024 1
1 1081 . 1 1 1 A 92 92 ASP H H 92 8.550 8.858 -0.308 1
1 1082 . 1 1 1 A 92 92 ASP HA H 92 4.612 4.976 -0.364 1
1 1085 . 1 1 1 A 92 92 ASP CA C 92 54.370 52.827 1.543 1
1 1086 . 1 1 1 A 92 92 ASP CB C 92 41.570 44.169 -2.599 1
1 1087 . 1 1 1 A 92 92 ASP N N 92 124.100 128.305 -4.205 1
1 1088 . 1 1 1 A 93 93 LYS H H 93 8.530 8.781 -0.251 1
1 1089 . 1 1 1 A 93 93 LYS HA H 93 4.240 4.510 -0.270 1
1 1098 . 1 1 1 A 93 93 LYS CA C 93 57.100 55.870 1.230 1
1 1099 . 1 1 1 A 93 93 LYS CB C 93 32.900 32.813 0.087 1
1 1103 . 1 1 1 A 93 93 LYS N N 93 123.200 122.975 0.225 1
1 1104 . 1 1 1 A 94 94 ASN H H 94 8.590 8.164 0.426 1
1 1105 . 1 1 1 A 94 94 ASN HA H 94 4.680 4.442 0.238 1
1 1110 . 1 1 1 A 94 94 ASN CA C 94 53.300 56.990 -3.690 1
1 1111 . 1 1 1 A 94 94 ASN CB C 94 38.700 39.015 -0.315 1
1 1112 . 1 1 1 A 94 94 ASN N N 94 118.800 118.263 0.537 1
1 1114 . 1 1 1 A 95 95 ALA H H 95 8.110 7.660 0.450 1
1 1115 . 1 1 1 A 95 95 ALA HA H 95 4.270 4.380 -0.110 1
1 1119 . 1 1 1 A 95 95 ALA CA C 95 53.160 51.888 1.272 1
1 1120 . 1 1 1 A 95 95 ALA CB C 95 19.100 18.991 0.109 1
1 1121 . 1 1 1 A 95 95 ALA N N 95 123.990 119.785 4.205 1
1 1122 . 1 1 1 A 96 96 ASP H H 96 8.290 8.501 -0.211 1
1 1123 . 1 1 1 A 96 96 ASP HA H 96 4.610 4.559 0.051 1
1 1126 . 1 1 1 A 96 96 ASP CA C 96 54.400 54.520 -0.120 1
1 1127 . 1 1 1 A 96 96 ASP CB C 96 41.300 39.998 1.302 1
1 1128 . 1 1 1 A 96 96 ASP N N 96 119.100 125.366 -6.266 1
1 1129 . 1 1 1 A 97 97 SER H H 97 8.150 8.933 -0.783 1
1 1130 . 1 1 1 A 97 97 SER HA H 97 4.380 4.819 -0.439 1
1 1133 . 1 1 1 A 97 97 SER CA C 97 58.600 57.816 0.784 1
1 1134 . 1 1 1 A 97 97 SER CB C 97 63.600 64.482 -0.882 1
1 1135 . 1 1 1 A 97 97 SER N N 97 115.800 119.013 -3.213 1
1 1136 . 1 1 1 A 98 98 LEU H H 98 8.240 7.633 0.607 1
1 1137 . 1 1 1 A 98 98 LEU HA H 98 4.260 4.853 -0.593 1
1 1147 . 1 1 1 A 98 98 LEU CA C 98 55.650 54.030 1.620 1
1 1148 . 1 1 1 A 98 98 LEU CB C 98 42.190 44.770 -2.580 1
1 1152 . 1 1 1 A 98 98 LEU N N 98 123.500 123.773 -0.273 1
1 1153 . 1 1 1 A 99 99 GLU H H 99 8.190 8.671 -0.481 1
1 1154 . 1 1 1 A 99 99 GLU HA H 99 4.130 4.496 -0.366 1
1 1159 . 1 1 1 A 99 99 GLU CA C 99 56.850 56.319 0.531 1
1 1160 . 1 1 1 A 99 99 GLU CB C 99 29.900 28.440 1.460 1
1 1162 . 1 1 1 A 99 99 GLU N N 99 119.900 123.600 -3.700 1
1 1163 . 1 1 1 A 100 100 HIS H H 100 8.200 8.120 0.080 1
1 1164 . 1 1 1 A 100 100 HIS HA H 100 4.560 4.683 -0.123 1
1 1168 . 1 1 1 A 100 100 HIS CA C 100 55.835 55.302 0.533 1
1 1169 . 1 1 1 A 100 100 HIS CB C 100 30.370 28.953 1.417 1
1 13 . 2 1 1 A 2 2 VAL H H 2 8.440 8.883 -0.443 1
1 14 . 2 1 1 A 2 2 VAL HA H 2 3.790 4.068 -0.278 1
1 22 . 2 1 1 A 2 2 VAL CA C 2 62.900 62.748 0.152 1
1 23 . 2 1 1 A 2 2 VAL CB C 2 32.100 31.944 0.156 1
1 26 . 2 1 1 A 2 2 VAL N N 2 125.800 120.388 5.412 1
1 27 . 2 1 1 A 3 3 LYS H H 3 8.980 8.892 0.088 1
1 28 . 2 1 1 A 3 3 LYS HA H 3 4.650 4.324 0.326 1
1 37 . 2 1 1 A 3 3 LYS CA C 3 57.100 57.318 -0.218 1
1 38 . 2 1 1 A 3 3 LYS CB C 3 36.400 33.669 2.731 1
1 42 . 2 1 1 A 3 3 LYS N N 3 124.600 128.153 -3.553 1
1 43 . 2 1 1 A 4 4 THR H H 4 7.740 8.584 -0.844 1
1 44 . 2 1 1 A 4 4 THR HA H 4 4.310 4.397 -0.087 1
1 49 . 2 1 1 A 4 4 THR CA C 4 64.990 61.769 3.221 1
1 50 . 2 1 1 A 4 4 THR CB C 4 68.700 68.153 0.547 1
1 52 . 2 1 1 A 4 4 THR N N 4 117.900 114.838 3.062 1
1 53 . 2 1 1 A 5 5 LEU H H 5 8.460 8.893 -0.433 1
1 54 . 2 1 1 A 5 5 LEU HA H 5 4.850 5.152 -0.302 1
1 64 . 2 1 1 A 5 5 LEU CA C 5 52.700 53.354 -0.654 1
1 65 . 2 1 1 A 5 5 LEU CB C 5 45.190 46.013 -0.823 1
1 69 . 2 1 1 A 5 5 LEU N N 5 130.600 129.179 1.421 1
1 70 . 2 1 1 A 6 6 ARG H H 6 9.050 8.429 0.621 1
1 71 . 2 1 1 A 6 6 ARG HA H 6 5.500 5.021 0.479 1
1 79 . 2 1 1 A 6 6 ARG CA C 6 54.350 54.659 -0.309 1
1 80 . 2 1 1 A 6 6 ARG CB C 6 33.080 33.627 -0.547 1
1 83 . 2 1 1 A 6 6 ARG N N 6 123.100 125.341 -2.241 1
1 85 . 2 1 1 A 7 7 LEU H H 7 8.290 9.044 -0.754 1
1 86 . 2 1 1 A 7 7 LEU HA H 7 4.870 4.984 -0.114 1
1 96 . 2 1 1 A 7 7 LEU CA C 7 52.270 53.574 -1.304 1
1 97 . 2 1 1 A 7 7 LEU CB C 7 43.800 43.857 -0.057 1
1 101 . 2 1 1 A 7 7 LEU N N 7 121.300 126.260 -4.960 1
1 102 . 2 1 1 A 8 8 ASN H H 8 9.220 9.367 -0.147 1
1 103 . 2 1 1 A 8 8 ASN HA H 8 4.580 4.435 0.145 1
1 108 . 2 1 1 A 8 8 ASN CA C 8 54.180 54.705 -0.525 1
1 109 . 2 1 1 A 8 8 ASN CB C 8 36.400 36.871 -0.471 1
1 110 . 2 1 1 A 8 8 ASN N N 8 121.700 124.490 -2.790 1
1 112 . 2 1 1 A 9 9 ASN HA H 9 4.180 4.494 -0.314 1
1 117 . 2 1 1 A 9 9 ASN CA C 9 54.800 54.457 0.343 1
1 118 . 2 1 1 A 9 9 ASN CB C 9 38.200 37.225 0.975 1
1 120 . 2 1 1 A 10 10 VAL H H 10 8.220 7.572 0.648 1
1 121 . 2 1 1 A 10 10 VAL HA H 10 4.090 4.205 -0.115 1
1 129 . 2 1 1 A 10 10 VAL CA C 10 62.820 61.708 1.112 1
1 130 . 2 1 1 A 10 10 VAL CB C 10 32.450 32.751 -0.301 1
1 133 . 2 1 1 A 10 10 VAL N N 10 124.500 120.695 3.805 1
1 134 . 2 1 1 A 11 11 THR H H 11 8.496 8.778 -0.282 1
1 135 . 2 1 1 A 11 11 THR HA H 11 4.670 4.551 0.119 1
1 140 . 2 1 1 A 11 11 THR CA C 11 63.830 63.287 0.543 1
1 141 . 2 1 1 A 11 11 THR CB C 11 68.980 69.563 -0.583 1
1 143 . 2 1 1 A 11 11 THR N N 11 123.600 123.598 0.002 1
1 144 . 2 1 1 A 12 12 LEU H H 12 9.700 9.214 0.486 1
1 145 . 2 1 1 A 12 12 LEU HA H 12 4.670 5.024 -0.354 1
1 155 . 2 1 1 A 12 12 LEU CA C 12 53.480 53.510 -0.030 1
1 156 . 2 1 1 A 12 12 LEU CB C 12 46.060 46.571 -0.511 1
1 160 . 2 1 1 A 12 12 LEU N N 12 129.900 127.819 2.081 1
1 161 . 2 1 1 A 13 13 GLU H H 13 8.500 8.664 -0.164 1
1 162 . 2 1 1 A 13 13 GLU HA H 13 4.850 4.956 -0.106 1
1 167 . 2 1 1 A 13 13 GLU CA C 13 54.500 54.394 0.106 1
1 168 . 2 1 1 A 13 13 GLU CB C 13 31.600 33.096 -1.496 1
1 170 . 2 1 1 A 13 13 GLU N N 13 121.100 125.104 -4.004 1
1 171 . 2 1 1 A 14 14 MET H H 14 9.340 8.826 0.514 1
1 172 . 2 1 1 A 14 14 MET HA H 14 4.750 5.128 -0.378 1
1 180 . 2 1 1 A 14 14 MET CA C 14 55.380 53.823 1.557 1
1 181 . 2 1 1 A 14 14 MET CB C 14 33.823 37.129 -3.306 1
1 184 . 2 1 1 A 14 14 MET N N 14 124.300 121.045 3.255 1
1 185 . 2 1 1 A 15 15 ALA H H 15 9.040 8.776 0.264 1
1 186 . 2 1 1 A 15 15 ALA HA H 15 4.490 4.402 0.088 1
1 190 . 2 1 1 A 15 15 ALA CA C 15 52.570 54.117 -1.547 1
1 191 . 2 1 1 A 15 15 ALA CB C 15 19.870 20.116 -0.246 1
1 192 . 2 1 1 A 15 15 ALA N N 15 125.900 123.148 2.752 1
1 193 . 2 1 1 A 16 16 ALA H H 16 7.880 7.711 0.169 1
1 194 . 2 1 1 A 16 16 ALA HA H 16 4.526 4.628 -0.102 1
1 198 . 2 1 1 A 16 16 ALA CA C 16 52.580 50.565 2.015 1
1 199 . 2 1 1 A 16 16 ALA CB C 16 21.400 19.099 2.301 1
1 200 . 2 1 1 A 16 16 ALA N N 16 119.400 119.959 -0.559 1
1 201 . 2 1 1 A 17 17 TYR H H 17 8.270 9.164 -0.894 1
1 202 . 2 1 1 A 17 17 TYR HA H 17 5.290 4.825 0.465 1
1 209 . 2 1 1 A 17 17 TYR CA C 17 59.160 56.833 2.327 1
1 210 . 2 1 1 A 17 17 TYR CB C 17 41.700 38.642 3.058 1
1 215 . 2 1 1 A 17 17 TYR N N 17 120.300 126.809 -6.509 1
1 216 . 2 1 1 A 18 18 GLN H H 18 8.610 8.636 -0.026 1
1 217 . 2 1 1 A 18 18 GLN HA H 18 4.350 4.727 -0.377 1
1 224 . 2 1 1 A 18 18 GLN CA C 18 54.920 54.352 0.568 1
1 225 . 2 1 1 A 18 18 GLN CB C 18 32.570 29.694 2.876 1
1 227 . 2 1 1 A 18 18 GLN N N 18 128.000 128.496 -0.496 1
1 229 . 2 1 1 A 19 19 GLU H H 19 8.370 8.871 -0.501 1
1 230 . 2 1 1 A 19 19 GLU HA H 19 5.015 4.969 0.046 1
1 235 . 2 1 1 A 19 19 GLU CA C 19 54.700 54.990 -0.290 1
1 236 . 2 1 1 A 19 19 GLU CB C 19 34.800 32.218 2.582 1
1 238 . 2 1 1 A 19 19 GLU N N 19 122.900 128.114 -5.214 1
1 239 . 2 1 1 A 20 20 GLU H H 20 8.920 9.227 -0.307 1
1 240 . 2 1 1 A 20 20 GLU HA H 20 4.740 4.932 -0.192 1
1 245 . 2 1 1 A 20 20 GLU CA C 20 55.100 55.171 -0.071 1
1 246 . 2 1 1 A 20 20 GLU CB C 20 33.800 31.624 2.176 1
1 248 . 2 1 1 A 20 20 GLU N N 20 123.300 126.540 -3.240 1
1 249 . 2 1 1 A 21 21 SER H H 21 9.070 8.910 0.160 1
1 250 . 2 1 1 A 21 21 SER HA H 21 4.430 4.929 -0.499 1
1 253 . 2 1 1 A 21 21 SER CA C 21 59.300 58.245 1.055 1
1 254 . 2 1 1 A 21 21 SER CB C 21 65.000 63.782 1.218 1
1 255 . 2 1 1 A 21 21 SER N N 21 114.800 121.773 -6.973 1
1 256 . 2 1 1 A 22 22 GLU H H 22 7.670 8.193 -0.523 1
1 257 . 2 1 1 A 22 22 GLU HA H 22 4.500 4.278 0.222 1
1 262 . 2 1 1 A 22 22 GLU CA C 22 53.100 60.690 -7.590 1
1 263 . 2 1 1 A 22 22 GLU CB C 22 31.750 29.973 1.777 1
1 265 . 2 1 1 A 22 22 GLU N N 22 119.913 122.056 -2.143 1
1 266 . 2 1 1 A 23 23 PRO HA H 23 4.636 4.342 0.294 1
1 273 . 2 1 1 A 23 23 PRO CA C 23 64.200 64.305 -0.105 1
1 274 . 2 1 1 A 23 23 PRO CB C 23 34.200 32.115 2.085 1
1 277 . 2 1 1 A 24 24 LYS H H 24 7.370 7.574 -0.204 1
1 278 . 2 1 1 A 24 24 LYS HA H 24 4.480 4.635 -0.155 1
1 287 . 2 1 1 A 24 24 LYS CA C 24 54.200 55.642 -1.442 1
1 288 . 2 1 1 A 24 24 LYS CB C 24 36.400 35.772 0.628 1
1 292 . 2 1 1 A 24 24 LYS N N 24 119.400 115.678 3.722 1
1 293 . 2 1 1 A 25 25 ARG H H 25 8.730 8.267 0.463 1
1 294 . 2 1 1 A 25 25 ARG HA H 25 4.470 4.564 -0.094 1
1 302 . 2 1 1 A 25 25 ARG CA C 25 57.000 55.924 1.076 1
1 303 . 2 1 1 A 25 25 ARG CB C 25 28.900 30.790 -1.890 1
1 306 . 2 1 1 A 25 25 ARG N N 25 121.900 122.404 -0.504 1
1 308 . 2 1 1 A 26 26 LYS H H 26 8.220 8.987 -0.767 1
1 309 . 2 1 1 A 26 26 LYS HA H 26 5.270 5.079 0.191 1
1 318 . 2 1 1 A 26 26 LYS CA C 26 55.000 54.619 0.381 1
1 319 . 2 1 1 A 26 26 LYS CB C 26 36.900 35.071 1.829 1
1 323 . 2 1 1 A 26 26 LYS N N 26 124.500 125.897 -1.397 1
1 324 . 2 1 1 A 27 27 ILE H H 27 9.100 9.456 -0.356 1
1 325 . 2 1 1 A 27 27 ILE HA H 27 5.320 4.567 0.753 1
1 335 . 2 1 1 A 27 27 ILE CA C 27 59.000 60.515 -1.515 1
1 336 . 2 1 1 A 27 27 ILE CB C 27 42.480 37.501 4.979 1
1 340 . 2 1 1 A 27 27 ILE N N 27 116.400 128.612 -12.212 1
1 341 . 2 1 1 A 28 28 ALA H H 28 8.730 8.608 0.122 1
1 342 . 2 1 1 A 28 28 ALA HA H 28 5.460 4.936 0.524 1
1 346 . 2 1 1 A 28 28 ALA CA C 28 50.600 50.353 0.247 1
1 347 . 2 1 1 A 28 28 ALA CB C 28 21.960 19.761 2.199 1
1 348 . 2 1 1 A 28 28 ALA N N 28 124.900 130.998 -6.098 1
1 349 . 2 1 1 A 29 29 PHE H H 29 8.750 8.164 0.586 1
1 350 . 2 1 1 A 29 29 PHE HA H 29 5.420 5.439 -0.019 1
1 355 . 2 1 1 A 29 29 PHE CA C 29 55.680 55.486 0.194 1
1 356 . 2 1 1 A 29 29 PHE CB C 29 43.100 40.906 2.194 1
1 359 . 2 1 1 A 29 29 PHE N N 29 118.800 121.082 -2.282 1
1 360 . 2 1 1 A 30 30 THR H H 30 7.980 9.272 -1.292 1
1 361 . 2 1 1 A 30 30 THR HA H 30 5.690 5.020 0.670 1
1 366 . 2 1 1 A 30 30 THR CA C 30 59.900 62.218 -2.318 1
1 367 . 2 1 1 A 30 30 THR CB C 30 71.130 69.573 1.557 1
1 369 . 2 1 1 A 30 30 THR N N 30 114.100 118.481 -4.381 1
1 370 . 2 1 1 A 31 31 LEU H H 31 9.360 9.199 0.161 1
1 371 . 2 1 1 A 31 31 LEU HA H 31 5.020 5.027 -0.007 1
1 381 . 2 1 1 A 31 31 LEU CA C 31 52.990 54.122 -1.132 1
1 382 . 2 1 1 A 31 31 LEU CB C 31 45.400 44.182 1.218 1
1 386 . 2 1 1 A 31 31 LEU N N 31 125.300 130.045 -4.745 1
1 387 . 2 1 1 A 32 32 ASN H H 32 9.160 8.803 0.357 1
1 388 . 2 1 1 A 32 32 ASN HA H 32 5.210 5.202 0.008 1
1 393 . 2 1 1 A 32 32 ASN CA C 32 52.660 52.658 0.002 1
1 394 . 2 1 1 A 32 32 ASN CB C 32 38.600 38.669 -0.069 1
1 395 . 2 1 1 A 32 32 ASN N N 32 123.600 126.255 -2.655 1
1 397 . 2 1 1 A 33 33 VAL H H 33 8.880 9.353 -0.473 1
1 398 . 2 1 1 A 33 33 VAL HA H 33 4.080 4.357 -0.277 1
1 406 . 2 1 1 A 33 33 VAL CA C 33 61.940 62.873 -0.933 1
1 407 . 2 1 1 A 33 33 VAL CB C 33 34.600 31.534 3.066 1
1 410 . 2 1 1 A 33 33 VAL N N 33 124.500 127.403 -2.903 1
1 411 . 2 1 1 A 34 34 THR H H 34 7.650 8.174 -0.524 1
1 412 . 2 1 1 A 34 34 THR HA H 34 5.130 5.552 -0.422 1
1 417 . 2 1 1 A 34 34 THR CA C 34 59.200 59.658 -0.458 1
1 418 . 2 1 1 A 34 34 THR CB C 34 72.830 72.252 0.578 1
1 420 . 2 1 1 A 34 34 THR N N 34 114.300 117.620 -3.320 1
1 421 . 2 1 1 A 35 35 SER H H 35 9.330 9.238 0.092 1
1 422 . 2 1 1 A 35 35 SER HA H 35 4.020 4.038 -0.018 1
1 425 . 2 1 1 A 35 35 SER CA C 35 62.000 61.203 0.797 1
1 426 . 2 1 1 A 35 35 SER CB C 35 62.400 62.690 -0.290 1
1 427 . 2 1 1 A 35 35 SER N N 35 116.200 117.069 -0.869 1
1 428 . 2 1 1 A 36 36 GLU H H 36 8.360 8.060 0.300 1
1 429 . 2 1 1 A 36 36 GLU HA H 36 4.330 4.121 0.209 1
1 434 . 2 1 1 A 36 36 GLU CA C 36 58.900 59.264 -0.364 1
1 435 . 2 1 1 A 36 36 GLU CB C 36 30.200 29.634 0.566 1
1 437 . 2 1 1 A 36 36 GLU N N 36 119.200 121.415 -2.215 1
1 438 . 2 1 1 A 37 37 THR H H 37 7.580 7.563 0.017 1
1 439 . 2 1 1 A 37 37 THR HA H 37 4.650 4.186 0.464 1
1 444 . 2 1 1 A 37 37 THR CA C 37 61.620 64.849 -3.229 1
1 445 . 2 1 1 A 37 37 THR CB C 37 70.630 68.358 2.272 1
1 447 . 2 1 1 A 37 37 THR N N 37 108.800 114.505 -5.705 1
1 448 . 2 1 1 A 38 38 TYR H H 38 7.990 8.440 -0.450 1
1 449 . 2 1 1 A 38 38 TYR HA H 38 3.890 4.004 -0.114 1
1 456 . 2 1 1 A 38 38 TYR CA C 38 61.980 61.811 0.169 1
1 457 . 2 1 1 A 38 38 TYR CB C 38 38.600 38.515 0.085 1
1 462 . 2 1 1 A 38 38 TYR N N 38 121.700 124.472 -2.772 1
1 463 . 2 1 1 A 39 39 HIS H H 39 8.770 7.943 0.827 1
1 464 . 2 1 1 A 39 39 HIS HA H 39 3.950 4.149 -0.199 1
1 468 . 2 1 1 A 39 39 HIS CA C 39 60.450 58.974 1.476 1
1 469 . 2 1 1 A 39 39 HIS CB C 39 28.350 29.521 -1.171 1
1 471 . 2 1 1 A 39 39 HIS N N 39 116.400 117.325 -0.925 1
1 472 . 2 1 1 A 40 40 ASP H H 40 8.180 8.055 0.125 1
1 473 . 2 1 1 A 40 40 ASP HA H 40 4.280 4.603 -0.323 1
1 476 . 2 1 1 A 40 40 ASP CA C 40 57.230 56.061 1.169 1
1 477 . 2 1 1 A 40 40 ASP CB C 40 39.980 41.663 -1.683 1
1 478 . 2 1 1 A 40 40 ASP N N 40 117.200 119.826 -2.626 1
1 479 . 2 1 1 A 41 41 ILE H H 41 7.700 8.034 -0.334 1
1 480 . 2 1 1 A 41 41 ILE HA H 41 3.740 3.629 0.111 1
1 490 . 2 1 1 A 41 41 ILE CA C 41 63.400 64.814 -1.414 1
1 491 . 2 1 1 A 41 41 ILE CB C 41 37.000 36.690 0.310 1
1 495 . 2 1 1 A 41 41 ILE N N 41 120.600 119.494 1.106 1
1 496 . 2 1 1 A 42 42 ALA H H 42 8.630 7.528 1.102 1
1 497 . 2 1 1 A 42 42 ALA HA H 42 3.790 4.116 -0.326 1
1 501 . 2 1 1 A 42 42 ALA CA C 42 55.780 54.039 1.741 1
1 502 . 2 1 1 A 42 42 ALA CB C 42 17.400 18.017 -0.617 1
1 503 . 2 1 1 A 42 42 ALA N N 42 122.900 124.184 -1.284 1
1 504 . 2 1 1 A 43 43 VAL H H 43 7.650 7.549 0.101 1
1 505 . 2 1 1 A 43 43 VAL HA H 43 3.390 4.040 -0.650 1
1 513 . 2 1 1 A 43 43 VAL CA C 43 65.700 64.162 1.538 1
1 514 . 2 1 1 A 43 43 VAL CB C 43 31.740 32.753 -1.013 1
1 517 . 2 1 1 A 43 43 VAL N N 43 114.600 115.693 -1.093 1
1 518 . 2 1 1 A 44 44 LEU H H 44 7.250 7.114 0.136 1
1 519 . 2 1 1 A 44 44 LEU HA H 44 4.300 4.482 -0.182 1
1 529 . 2 1 1 A 44 44 LEU CA C 44 57.900 53.920 3.980 1
1 530 . 2 1 1 A 44 44 LEU CB C 44 42.250 41.121 1.129 1
1 534 . 2 1 1 A 44 44 LEU N N 44 122.800 122.592 0.208 1
1 535 . 2 1 1 A 45 45 LEU H H 45 8.060 8.271 -0.211 1
1 536 . 2 1 1 A 45 45 LEU HA H 45 4.430 5.275 -0.845 1
1 546 . 2 1 1 A 45 45 LEU CA C 45 55.200 53.413 1.787 1
1 547 . 2 1 1 A 45 45 LEU CB C 45 41.600 43.253 -1.653 1
1 551 . 2 1 1 A 46 46 TYR H H 46 8.040 8.731 -0.691 1
1 552 . 2 1 1 A 46 46 TYR HA H 46 5.380 4.351 1.029 1
1 559 . 2 1 1 A 46 46 TYR CA C 46 56.900 58.543 -1.643 1
1 560 . 2 1 1 A 46 46 TYR CB C 46 40.500 36.634 3.866 1
1 565 . 2 1 1 A 46 46 TYR N N 46 122.700 117.150 5.550 1
1 566 . 2 1 1 A 47 47 GLU HA H 47 4.000 4.640 -0.640 1
1 571 . 2 1 1 A 47 47 GLU CA C 47 57.700 55.134 2.566 1
1 572 . 2 1 1 A 47 47 GLU CB C 47 29.800 31.224 -1.424 1
1 574 . 2 1 1 A 48 48 LYS HA H 48 4.660 4.374 0.286 1
1 583 . 2 1 1 A 48 48 LYS CA C 48 57.450 57.372 0.078 1
1 584 . 2 1 1 A 48 48 LYS CB C 48 36.800 33.141 3.659 1
1 588 . 2 1 1 A 49 49 THR H H 49 7.540 7.689 -0.149 1
1 589 . 2 1 1 A 49 49 THR HA H 49 4.830 4.731 0.099 1
1 594 . 2 1 1 A 49 49 THR CA C 49 60.360 60.670 -0.310 1
1 595 . 2 1 1 A 49 49 THR CB C 49 70.850 70.756 0.094 1
1 597 . 2 1 1 A 49 49 THR N N 49 115.800 110.195 5.605 1
1 598 . 2 1 1 A 50 50 PHE H H 50 9.030 9.168 -0.138 1
1 599 . 2 1 1 A 50 50 PHE HA H 50 5.150 5.060 0.090 1
1 606 . 2 1 1 A 50 50 PHE CA C 50 55.680 56.541 -0.861 1
1 607 . 2 1 1 A 50 50 PHE CB C 50 44.220 40.058 4.162 1
1 612 . 2 1 1 A 50 50 PHE N N 50 118.300 124.584 -6.284 1
1 613 . 2 1 1 A 51 51 ASN H H 51 8.810 9.314 -0.504 1
1 614 . 2 1 1 A 51 51 ASN HA H 51 4.920 4.913 0.007 1
1 619 . 2 1 1 A 51 51 ASN CA C 51 53.960 53.330 0.630 1
1 620 . 2 1 1 A 51 51 ASN CB C 51 37.900 38.063 -0.163 1
1 621 . 2 1 1 A 51 51 ASN N N 51 121.100 123.426 -2.326 1
1 623 . 2 1 1 A 52 52 VAL H H 52 9.140 8.399 0.741 1
1 624 . 2 1 1 A 52 52 VAL HA H 52 4.370 4.187 0.183 1
1 632 . 2 1 1 A 52 52 VAL CA C 52 61.660 62.338 -0.678 1
1 633 . 2 1 1 A 52 52 VAL CB C 52 32.590 31.410 1.180 1
1 636 . 2 1 1 A 52 52 VAL N N 52 129.300 124.941 4.359 1
1 637 . 2 1 1 A 53 53 GLU H H 53 9.020 8.826 0.194 1
1 638 . 2 1 1 A 53 53 GLU HA H 53 5.090 5.582 -0.492 1
1 643 . 2 1 1 A 53 53 GLU CA C 53 55.500 54.857 0.643 1
1 644 . 2 1 1 A 53 53 GLU CB C 53 31.940 33.275 -1.335 1
1 646 . 2 1 1 A 53 53 GLU N N 53 125.400 128.401 -3.001 1
1 647 . 2 1 1 A 54 54 VAL H H 54 8.840 8.553 0.287 1
1 648 . 2 1 1 A 54 54 VAL HA H 54 4.680 4.719 -0.039 1
1 656 . 2 1 1 A 54 54 VAL CA C 54 58.900 58.286 0.614 1
1 657 . 2 1 1 A 54 54 VAL CB C 54 31.900 34.883 -2.983 1
1 660 . 2 1 1 A 54 54 VAL N N 54 123.100 124.765 -1.665 1
1 661 . 2 1 1 A 55 55 PRO HA H 55 4.480 4.235 0.245 1
1 668 . 2 1 1 A 55 55 PRO CA C 55 65.720 65.661 0.059 1
1 669 . 2 1 1 A 55 55 PRO CB C 55 32.040 31.788 0.252 1
1 672 . 2 1 1 A 56 56 GLU H H 56 10.050 9.104 0.946 1
1 673 . 2 1 1 A 56 56 GLU HA H 56 4.145 4.112 0.033 1
1 678 . 2 1 1 A 56 56 GLU CA C 56 58.580 59.187 -0.607 1
1 679 . 2 1 1 A 56 56 GLU CB C 56 30.000 28.607 1.393 1
1 681 . 2 1 1 A 56 56 GLU N N 56 118.000 117.305 0.695 1
1 682 . 2 1 1 A 57 57 ARG H H 57 7.550 7.745 -0.195 1
1 683 . 2 1 1 A 57 57 ARG HA H 57 4.480 4.447 0.033 1
1 691 . 2 1 1 A 57 57 ARG CA C 57 52.560 55.624 -3.064 1
1 692 . 2 1 1 A 57 57 ARG CB C 57 29.990 30.309 -0.319 1
1 695 . 2 1 1 A 57 57 ARG N N 57 116.400 117.594 -1.194 1
1 697 . 2 1 1 A 58 58 ASP H H 58 7.920 8.241 -0.321 1
1 698 . 2 1 1 A 58 58 ASP HA H 58 4.250 4.302 -0.052 1
1 701 . 2 1 1 A 58 58 ASP CA C 58 55.420 54.916 0.504 1
1 702 . 2 1 1 A 58 58 ASP CB C 58 39.860 39.371 0.489 1
1 703 . 2 1 1 A 58 58 ASP N N 58 118.400 119.285 -0.885 1
1 704 . 2 1 1 A 59 59 LEU H H 59 6.930 7.765 -0.835 1
1 705 . 2 1 1 A 59 59 LEU HA H 59 4.770 5.128 -0.358 1
1 715 . 2 1 1 A 59 59 LEU CA C 59 53.830 53.612 0.218 1
1 716 . 2 1 1 A 59 59 LEU CB C 59 45.800 45.206 0.594 1
1 720 . 2 1 1 A 59 59 LEU N N 59 116.500 120.889 -4.389 1
1 721 . 2 1 1 A 60 60 ALA H H 60 8.690 8.876 -0.186 1
1 722 . 2 1 1 A 60 60 ALA HA H 60 5.353 5.634 -0.281 1
1 726 . 2 1 1 A 60 60 ALA CA C 60 52.020 51.680 0.340 1
1 727 . 2 1 1 A 60 60 ALA CB C 60 21.060 21.540 -0.480 1
1 728 . 2 1 1 A 60 60 ALA N N 60 130.000 127.519 2.481 1
1 729 . 2 1 1 A 61 61 PHE H H 61 8.470 8.774 -0.304 1
1 730 . 2 1 1 A 61 61 PHE HA H 61 4.933 5.160 -0.227 1
1 737 . 2 1 1 A 61 61 PHE CA C 61 56.500 55.865 0.635 1
1 738 . 2 1 1 A 61 61 PHE CB C 61 39.720 41.220 -1.500 1
1 743 . 2 1 1 A 61 61 PHE N N 61 117.500 117.971 -0.471 1
1 744 . 2 1 1 A 62 62 ARG H H 62 9.270 8.635 0.635 1
1 745 . 2 1 1 A 62 62 ARG HA H 62 5.290 4.405 0.885 1
1 753 . 2 1 1 A 62 62 ARG CA C 62 54.950 55.059 -0.109 1
1 754 . 2 1 1 A 62 62 ARG CB C 62 30.800 30.245 0.555 1
1 757 . 2 1 1 A 62 62 ARG N N 62 122.500 120.959 1.541 1
1 759 . 2 1 1 A 63 63 GLY H H 63 9.370 8.203 1.167 1
1 760 . 2 1 1 A 63 63 GLY HA2 H 63 5.440 3.955 1.485 1
1 761 . 2 1 1 A 63 63 GLY HA3 H 63 3.460 4.165 -0.705 1
1 762 . 2 1 1 A 63 63 GLY CA C 63 45.000 45.421 -0.421 1
1 763 . 2 1 1 A 63 63 GLY N N 63 112.700 113.943 -1.243 1
1 764 . 2 1 1 A 64 64 GLU H H 64 9.090 8.428 0.662 1
1 765 . 2 1 1 A 64 64 GLU HA H 64 5.410 4.469 0.941 1
1 770 . 2 1 1 A 64 64 GLU CA C 64 53.160 56.319 -3.159 1
1 771 . 2 1 1 A 64 64 GLU CB C 64 33.500 30.549 2.951 1
1 773 . 2 1 1 A 64 64 GLU N N 64 118.400 122.014 -3.614 1
1 774 . 2 1 1 A 65 65 MET H H 65 9.320 9.454 -0.134 1
1 775 . 2 1 1 A 65 65 MET HA H 65 5.070 5.222 -0.152 1
1 783 . 2 1 1 A 65 65 MET CA C 65 56.700 53.971 2.729 1
1 784 . 2 1 1 A 65 65 MET CB C 65 34.500 35.322 -0.822 1
1 787 . 2 1 1 A 65 65 MET N N 65 124.900 122.181 2.719 1
1 788 . 2 1 1 A 66 66 THR H H 66 8.970 8.883 0.087 1
1 789 . 2 1 1 A 66 66 THR HA H 66 4.480 4.610 -0.130 1
1 794 . 2 1 1 A 66 66 THR CA C 66 61.970 60.971 0.999 1
1 795 . 2 1 1 A 66 66 THR CB C 66 69.160 70.226 -1.066 1
1 797 . 2 1 1 A 66 66 THR N N 66 120.300 121.686 -1.386 1
1 798 . 2 1 1 A 67 67 ASN H H 67 7.850 7.314 0.536 1
1 799 . 2 1 1 A 67 67 ASN HA H 67 4.850 5.212 -0.362 1
1 804 . 2 1 1 A 67 67 ASN CA C 67 54.240 51.862 2.378 1
1 805 . 2 1 1 A 67 67 ASN CB C 67 41.900 40.812 1.088 1
1 806 . 2 1 1 A 67 67 ASN N N 67 119.200 120.433 -1.233 1
1 808 . 2 1 1 A 68 68 TYR H H 68 8.720 8.769 -0.049 1
1 809 . 2 1 1 A 68 68 TYR HA H 68 4.611 5.117 -0.506 1
1 812 . 2 1 1 A 68 68 TYR CA C 68 54.600 55.696 -1.096 1
1 813 . 2 1 1 A 68 68 TYR CB C 68 41.180 40.060 1.120 1
1 814 . 2 1 1 A 68 68 TYR N N 68 123.200 123.420 -0.220 1
1 815 . 2 1 1 A 69 69 SER H H 69 8.160 8.807 -0.647 1
1 816 . 2 1 1 A 69 69 SER HA H 69 4.450 4.519 -0.069 1
1 819 . 2 1 1 A 69 69 SER CA C 69 58.913 57.418 1.495 1
1 820 . 2 1 1 A 69 69 SER CB C 69 65.000 63.310 1.690 1
1 821 . 2 1 1 A 69 69 SER N N 69 115.000 123.658 -8.658 1
1 822 . 2 1 1 A 70 70 THR H H 70 8.250 6.927 1.323 1
1 823 . 2 1 1 A 70 70 THR HA H 70 4.200 3.741 0.459 1
1 828 . 2 1 1 A 70 70 THR CA C 70 62.200 64.173 -1.973 1
1 829 . 2 1 1 A 70 70 THR CB C 70 70.060 68.661 1.399 1
1 831 . 2 1 1 A 70 70 THR N N 70 111.000 117.909 -6.909 1
1 832 . 2 1 1 A 71 71 SER HA H 71 4.610 4.546 0.064 1
1 835 . 2 1 1 A 71 71 SER CA C 71 58.100 58.920 -0.820 1
1 836 . 2 1 1 A 71 71 SER CB C 71 63.600 63.653 -0.053 1
1 837 . 2 1 1 A 72 72 LEU H H 72 8.290 7.970 0.320 1
1 838 . 2 1 1 A 72 72 LEU HA H 72 4.300 4.517 -0.217 1
1 847 . 2 1 1 A 72 72 LEU CA C 72 56.500 54.809 1.691 1
1 848 . 2 1 1 A 72 72 LEU CB C 72 40.600 43.401 -2.801 1
1 852 . 2 1 1 A 72 72 LEU N N 72 122.300 119.383 2.917 1
1 853 . 2 1 1 A 73 73 THR H H 73 8.000 7.648 0.352 1
1 854 . 2 1 1 A 73 73 THR HA H 73 5.110 4.068 1.042 1
1 859 . 2 1 1 A 73 73 THR CA C 73 59.300 64.044 -4.744 1
1 860 . 2 1 1 A 73 73 THR CB C 73 71.950 69.699 2.251 1
1 862 . 2 1 1 A 74 74 ASN H H 74 8.370 7.862 0.508 1
1 863 . 2 1 1 A 74 74 ASN HA H 74 4.660 4.215 0.445 1
1 868 . 2 1 1 A 74 74 ASN CA C 74 52.780 54.777 -1.997 1
1 869 . 2 1 1 A 74 74 ASN CB C 74 38.360 36.613 1.747 1
1 870 . 2 1 1 A 74 74 ASN N N 74 121.500 115.303 6.197 1
1 872 . 2 1 1 A 75 75 LEU H H 75 8.020 7.857 0.163 1
1 873 . 2 1 1 A 75 75 LEU HA H 75 3.970 4.199 -0.229 1
1 883 . 2 1 1 A 75 75 LEU CA C 75 55.500 56.042 -0.542 1
1 884 . 2 1 1 A 75 75 LEU CB C 75 41.800 40.594 1.206 1
1 888 . 2 1 1 A 75 75 LEU N N 75 123.200 116.272 6.928 1
1 889 . 2 1 1 A 76 76 TYR H H 76 7.930 8.737 -0.807 1
1 890 . 2 1 1 A 76 76 TYR HA H 76 4.450 4.408 0.042 1
1 897 . 2 1 1 A 76 76 TYR CA C 76 58.000 59.069 -1.069 1
1 898 . 2 1 1 A 76 76 TYR CB C 76 37.700 36.385 1.315 1
1 903 . 2 1 1 A 76 76 TYR N N 76 116.100 123.431 -7.331 1
1 904 . 2 1 1 A 77 77 GLU H H 77 7.410 7.865 -0.455 1
1 905 . 2 1 1 A 77 77 GLU HA H 77 4.650 4.774 -0.124 1
1 910 . 2 1 1 A 77 77 GLU CA C 77 53.700 52.766 0.934 1
1 911 . 2 1 1 A 77 77 GLU CB C 77 30.200 30.455 -0.255 1
1 913 . 2 1 1 A 77 77 GLU N N 77 122.300 120.460 1.840 1
1 914 . 2 1 1 A 78 78 PRO HA H 78 4.340 4.879 -0.539 1
1 921 . 2 1 1 A 78 78 PRO CA C 78 64.000 62.635 1.365 1
1 922 . 2 1 1 A 78 78 PRO CB C 78 31.740 31.733 0.007 1
1 925 . 2 1 1 A 79 79 GLY H H 79 8.980 8.266 0.714 1
1 926 . 2 1 1 A 79 79 GLY HA2 H 79 3.822 4.368 -0.546 1
1 927 . 2 1 1 A 79 79 GLY HA3 H 79 4.090 4.418 -0.328 1
1 928 . 2 1 1 A 79 79 GLY CA C 79 45.570 44.179 1.391 1
1 929 . 2 1 1 A 79 79 GLY N N 79 112.300 109.023 3.277 1
1 930 . 2 1 1 A 80 80 ALA H H 80 7.670 8.635 -0.965 1
1 931 . 2 1 1 A 80 80 ALA HA H 80 4.300 4.393 -0.093 1
1 935 . 2 1 1 A 80 80 ALA CA C 80 52.880 53.147 -0.267 1
1 936 . 2 1 1 A 80 80 ALA CB C 80 20.670 20.692 -0.022 1
1 937 . 2 1 1 A 80 80 ALA N N 80 123.200 121.668 1.532 1
1 938 . 2 1 1 A 81 81 VAL H H 81 8.280 7.758 0.522 1
1 939 . 2 1 1 A 81 81 VAL HA H 81 4.410 5.373 -0.963 1
1 947 . 2 1 1 A 81 81 VAL CA C 81 61.540 61.167 0.373 1
1 948 . 2 1 1 A 81 81 VAL CB C 81 34.000 34.406 -0.406 1
1 951 . 2 1 1 A 82 82 SER H H 82 8.970 8.994 -0.024 1
1 952 . 2 1 1 A 82 82 SER HA H 82 4.685 5.064 -0.379 1
1 955 . 2 1 1 A 82 82 SER CA C 82 57.180 57.634 -0.454 1
1 956 . 2 1 1 A 82 82 SER CB C 82 65.200 67.821 -2.621 1
1 957 . 2 1 1 A 82 82 SER N N 82 122.000 122.054 -0.054 1
1 958 . 2 1 1 A 83 83 GLU H H 83 8.360 8.679 -0.319 1
1 959 . 2 1 1 A 83 83 GLU HA H 83 4.500 5.161 -0.661 1
1 964 . 2 1 1 A 83 83 GLU CA C 83 53.020 55.025 -2.005 1
1 965 . 2 1 1 A 83 83 GLU CB C 83 31.800 31.893 -0.093 1
1 967 . 2 1 1 A 83 83 GLU N N 83 122.800 121.153 1.647 1
1 968 . 2 1 1 A 84 84 PHE H H 84 9.160 9.726 -0.566 1
1 969 . 2 1 1 A 84 84 PHE HA H 84 4.920 4.900 0.020 1
1 977 . 2 1 1 A 84 84 PHE CA C 84 54.840 56.975 -2.135 1
1 978 . 2 1 1 A 84 84 PHE CB C 84 40.690 38.993 1.697 1
1 984 . 2 1 1 A 84 84 PHE N N 84 123.800 124.418 -0.618 1
1 985 . 2 1 1 A 85 85 TYR H H 85 8.810 8.806 0.004 1
1 986 . 2 1 1 A 85 85 TYR HA H 85 5.050 4.804 0.246 1
1 993 . 2 1 1 A 85 85 TYR CA C 85 56.190 56.681 -0.491 1
1 994 . 2 1 1 A 85 85 TYR CB C 85 37.800 39.306 -1.506 1
1 999 . 2 1 1 A 85 85 TYR N N 85 123.600 125.606 -2.006 1
1 1000 . 2 1 1 A 86 86 ILE H H 86 8.340 8.751 -0.411 1
1 1001 . 2 1 1 A 86 86 ILE HA H 86 4.520 4.817 -0.297 1
1 1011 . 2 1 1 A 86 86 ILE CA C 86 59.340 60.185 -0.845 1
1 1012 . 2 1 1 A 86 86 ILE CB C 86 40.300 38.665 1.635 1
1 1016 . 2 1 1 A 86 86 ILE N N 86 126.200 129.406 -3.206 1
1 1017 . 2 1 1 A 87 87 GLU H H 87 8.200 9.034 -0.834 1
1 1018 . 2 1 1 A 87 87 GLU HA H 87 5.330 5.060 0.270 1
1 1023 . 2 1 1 A 87 87 GLU CA C 87 54.500 55.086 -0.586 1
1 1024 . 2 1 1 A 87 87 GLU CB C 87 34.100 31.338 2.762 1
1 1026 . 2 1 1 A 87 87 GLU N N 87 124.600 128.176 -3.576 1
1 1027 . 2 1 1 A 88 88 ILE H H 88 9.250 9.766 -0.516 1
1 1028 . 2 1 1 A 88 88 ILE HA H 88 5.080 4.914 0.166 1
1 1038 . 2 1 1 A 88 88 ILE CA C 88 59.900 60.036 -0.136 1
1 1039 . 2 1 1 A 88 88 ILE CB C 88 42.100 39.272 2.828 1
1 1043 . 2 1 1 A 88 88 ILE N N 88 124.900 128.909 -4.009 1
1 1044 . 2 1 1 A 89 89 THR H H 89 9.020 8.879 0.141 1
1 1045 . 2 1 1 A 89 89 THR HA H 89 4.960 4.986 -0.026 1
1 1050 . 2 1 1 A 89 89 THR CA C 89 61.600 60.597 1.003 1
1 1051 . 2 1 1 A 89 89 THR CB C 89 70.000 70.143 -0.143 1
1 1053 . 2 1 1 A 89 89 THR N N 89 122.900 119.995 2.905 1
1 1054 . 2 1 1 A 90 90 GLU H H 90 8.910 8.383 0.527 1
1 1055 . 2 1 1 A 90 90 GLU HA H 90 4.730 4.615 0.115 1
1 1060 . 2 1 1 A 90 90 GLU CA C 90 57.300 57.123 0.177 1
1 1061 . 2 1 1 A 90 90 GLU CB C 90 30.570 30.255 0.315 1
1 1063 . 2 1 1 A 90 90 GLU N N 90 128.600 124.984 3.616 1
1 1064 . 2 1 1 A 91 91 ILE H H 91 8.550 8.598 -0.048 1
1 1065 . 2 1 1 A 91 91 ILE HA H 91 4.230 4.424 -0.194 1
1 1075 . 2 1 1 A 91 91 ILE CA C 91 61.400 60.069 1.331 1
1 1076 . 2 1 1 A 91 91 ILE CB C 91 39.800 39.185 0.615 1
1 1080 . 2 1 1 A 91 91 ILE N N 91 124.600 122.486 2.114 1
1 1081 . 2 1 1 A 92 92 ASP H H 92 8.550 8.937 -0.387 1
1 1082 . 2 1 1 A 92 92 ASP HA H 92 4.612 4.976 -0.364 1
1 1085 . 2 1 1 A 92 92 ASP CA C 92 54.370 52.943 1.427 1
1 1086 . 2 1 1 A 92 92 ASP CB C 92 41.570 42.910 -1.340 1
1 1087 . 2 1 1 A 92 92 ASP N N 92 124.100 122.056 2.044 1
1 1088 . 2 1 1 A 93 93 LYS H H 93 8.530 8.765 -0.235 1
1 1089 . 2 1 1 A 93 93 LYS HA H 93 4.240 4.366 -0.126 1
1 1098 . 2 1 1 A 93 93 LYS CA C 93 57.100 56.645 0.455 1
1 1099 . 2 1 1 A 93 93 LYS CB C 93 32.900 32.463 0.437 1
1 1103 . 2 1 1 A 93 93 LYS N N 93 123.200 123.400 -0.200 1
1 1104 . 2 1 1 A 94 94 ASN H H 94 8.590 8.640 -0.050 1
1 1105 . 2 1 1 A 94 94 ASN HA H 94 4.680 4.448 0.232 1
1 1110 . 2 1 1 A 94 94 ASN CA C 94 53.300 55.970 -2.670 1
1 1111 . 2 1 1 A 94 94 ASN CB C 94 38.700 37.206 1.494 1
1 1112 . 2 1 1 A 94 94 ASN N N 94 118.800 117.558 1.242 1
1 1114 . 2 1 1 A 95 95 ALA H H 95 8.110 7.677 0.433 1
1 1115 . 2 1 1 A 95 95 ALA HA H 95 4.270 4.045 0.225 1
1 1119 . 2 1 1 A 95 95 ALA CA C 95 53.160 55.248 -2.088 1
1 1120 . 2 1 1 A 95 95 ALA CB C 95 19.100 19.264 -0.164 1
1 1121 . 2 1 1 A 95 95 ALA N N 95 123.990 121.458 2.532 1
1 1122 . 2 1 1 A 96 96 ASP H H 96 8.290 8.048 0.242 1
1 1123 . 2 1 1 A 96 96 ASP HA H 96 4.610 4.691 -0.081 1
1 1126 . 2 1 1 A 96 96 ASP CA C 96 54.400 54.732 -0.332 1
1 1127 . 2 1 1 A 96 96 ASP CB C 96 41.300 40.356 0.944 1
1 1128 . 2 1 1 A 96 96 ASP N N 96 119.100 118.500 0.600 1
1 1129 . 2 1 1 A 97 97 SER H H 97 8.150 8.614 -0.464 1
1 1130 . 2 1 1 A 97 97 SER HA H 97 4.380 4.905 -0.525 1
1 1133 . 2 1 1 A 97 97 SER CA C 97 58.600 57.133 1.467 1
1 1134 . 2 1 1 A 97 97 SER CB C 97 63.600 64.203 -0.603 1
1 1135 . 2 1 1 A 97 97 SER N N 97 115.800 115.320 0.480 1
1 1136 . 2 1 1 A 98 98 LEU H H 98 8.240 7.315 0.925 1
1 1137 . 2 1 1 A 98 98 LEU HA H 98 4.260 4.242 0.018 1
1 1147 . 2 1 1 A 98 98 LEU CA C 98 55.650 55.457 0.193 1
1 1148 . 2 1 1 A 98 98 LEU CB C 98 42.190 43.239 -1.049 1
1 1152 . 2 1 1 A 98 98 LEU N N 98 123.500 124.333 -0.833 1
1 1153 . 2 1 1 A 99 99 GLU H H 99 8.190 8.724 -0.534 1
1 1154 . 2 1 1 A 99 99 GLU HA H 99 4.130 4.361 -0.231 1
1 1159 . 2 1 1 A 99 99 GLU CA C 99 56.850 56.911 -0.061 1
1 1160 . 2 1 1 A 99 99 GLU CB C 99 29.900 30.762 -0.862 1
1 1162 . 2 1 1 A 99 99 GLU N N 99 119.900 127.005 -7.105 1
1 1163 . 2 1 1 A 100 100 HIS H H 100 8.200 8.102 0.098 1
1 1164 . 2 1 1 A 100 100 HIS HA H 100 4.560 5.149 -0.589 1
1 1168 . 2 1 1 A 100 100 HIS CA C 100 55.835 54.418 1.417 1
1 1169 . 2 1 1 A 100 100 HIS CB C 100 30.370 31.971 -1.601 1
1 13 . 3 1 1 A 2 2 VAL H H 2 8.440 7.805 0.635 1
1 14 . 3 1 1 A 2 2 VAL HA H 2 3.790 3.805 -0.015 1
1 22 . 3 1 1 A 2 2 VAL CA C 2 62.900 62.786 0.114 1
1 23 . 3 1 1 A 2 2 VAL CB C 2 32.100 30.117 1.983 1
1 26 . 3 1 1 A 2 2 VAL N N 2 125.800 116.858 8.942 1
1 27 . 3 1 1 A 3 3 LYS H H 3 8.980 8.537 0.443 1
1 28 . 3 1 1 A 3 3 LYS HA H 3 4.650 4.382 0.268 1
1 37 . 3 1 1 A 3 3 LYS CA C 3 57.100 57.366 -0.266 1
1 38 . 3 1 1 A 3 3 LYS CB C 3 36.400 35.072 1.328 1
1 42 . 3 1 1 A 3 3 LYS N N 3 124.600 128.425 -3.825 1
1 43 . 3 1 1 A 4 4 THR H H 4 7.740 8.403 -0.663 1
1 44 . 3 1 1 A 4 4 THR HA H 4 4.310 4.236 0.074 1
1 49 . 3 1 1 A 4 4 THR CA C 4 64.990 62.472 2.518 1
1 50 . 3 1 1 A 4 4 THR CB C 4 68.700 67.665 1.035 1
1 52 . 3 1 1 A 4 4 THR N N 4 117.900 114.723 3.177 1
1 53 . 3 1 1 A 5 5 LEU H H 5 8.460 8.539 -0.079 1
1 54 . 3 1 1 A 5 5 LEU HA H 5 4.850 5.249 -0.399 1
1 64 . 3 1 1 A 5 5 LEU CA C 5 52.700 53.444 -0.744 1
1 65 . 3 1 1 A 5 5 LEU CB C 5 45.190 46.069 -0.879 1
1 69 . 3 1 1 A 5 5 LEU N N 5 130.600 128.859 1.741 1
1 70 . 3 1 1 A 6 6 ARG H H 6 9.050 8.311 0.739 1
1 71 . 3 1 1 A 6 6 ARG HA H 6 5.500 5.000 0.500 1
1 79 . 3 1 1 A 6 6 ARG CA C 6 54.350 55.146 -0.796 1
1 80 . 3 1 1 A 6 6 ARG CB C 6 33.080 33.404 -0.324 1
1 83 . 3 1 1 A 6 6 ARG N N 6 123.100 125.944 -2.844 1
1 85 . 3 1 1 A 7 7 LEU H H 7 8.290 8.569 -0.279 1
1 86 . 3 1 1 A 7 7 LEU HA H 7 4.870 4.701 0.169 1
1 96 . 3 1 1 A 7 7 LEU CA C 7 52.270 53.886 -1.616 1
1 97 . 3 1 1 A 7 7 LEU CB C 7 43.800 41.113 2.687 1
1 101 . 3 1 1 A 7 7 LEU N N 7 121.300 128.200 -6.900 1
1 102 . 3 1 1 A 8 8 ASN H H 8 9.220 9.184 0.036 1
1 103 . 3 1 1 A 8 8 ASN HA H 8 4.580 4.378 0.202 1
1 108 . 3 1 1 A 8 8 ASN CA C 8 54.180 54.180 0.000 1
1 109 . 3 1 1 A 8 8 ASN CB C 8 36.400 37.409 -1.009 1
1 110 . 3 1 1 A 8 8 ASN N N 8 121.700 123.471 -1.771 1
1 112 . 3 1 1 A 9 9 ASN HA H 9 4.180 4.499 -0.319 1
1 117 . 3 1 1 A 9 9 ASN CA C 9 54.800 54.705 0.095 1
1 118 . 3 1 1 A 9 9 ASN CB C 9 38.200 38.317 -0.117 1
1 120 . 3 1 1 A 10 10 VAL H H 10 8.220 7.591 0.629 1
1 121 . 3 1 1 A 10 10 VAL HA H 10 4.090 4.178 -0.088 1
1 129 . 3 1 1 A 10 10 VAL CA C 10 62.820 61.852 0.968 1
1 130 . 3 1 1 A 10 10 VAL CB C 10 32.450 31.894 0.556 1
1 133 . 3 1 1 A 10 10 VAL N N 10 124.500 122.217 2.283 1
1 134 . 3 1 1 A 11 11 THR H H 11 8.496 8.575 -0.079 1
1 135 . 3 1 1 A 11 11 THR HA H 11 4.670 4.389 0.281 1
1 140 . 3 1 1 A 11 11 THR CA C 11 63.830 61.893 1.937 1
1 141 . 3 1 1 A 11 11 THR CB C 11 68.980 69.351 -0.371 1
1 143 . 3 1 1 A 11 11 THR N N 11 123.600 119.829 3.771 1
1 144 . 3 1 1 A 12 12 LEU H H 12 9.700 9.026 0.674 1
1 145 . 3 1 1 A 12 12 LEU HA H 12 4.670 5.078 -0.408 1
1 155 . 3 1 1 A 12 12 LEU CA C 12 53.480 53.647 -0.167 1
1 156 . 3 1 1 A 12 12 LEU CB C 12 46.060 46.667 -0.607 1
1 160 . 3 1 1 A 12 12 LEU N N 12 129.900 125.803 4.097 1
1 161 . 3 1 1 A 13 13 GLU H H 13 8.500 8.815 -0.315 1
1 162 . 3 1 1 A 13 13 GLU HA H 13 4.850 4.977 -0.127 1
1 167 . 3 1 1 A 13 13 GLU CA C 13 54.500 54.559 -0.059 1
1 168 . 3 1 1 A 13 13 GLU CB C 13 31.600 33.495 -1.895 1
1 170 . 3 1 1 A 13 13 GLU N N 13 121.100 124.933 -3.833 1
1 171 . 3 1 1 A 14 14 MET H H 14 9.340 8.801 0.539 1
1 172 . 3 1 1 A 14 14 MET HA H 14 4.750 5.078 -0.328 1
1 180 . 3 1 1 A 14 14 MET CA C 14 55.380 53.243 2.137 1
1 181 . 3 1 1 A 14 14 MET CB C 14 33.823 36.191 -2.368 1
1 184 . 3 1 1 A 14 14 MET N N 14 124.300 118.280 6.020 1
1 185 . 3 1 1 A 15 15 ALA H H 15 9.040 8.246 0.794 1
1 186 . 3 1 1 A 15 15 ALA HA H 15 4.490 4.459 0.031 1
1 190 . 3 1 1 A 15 15 ALA CA C 15 52.570 53.545 -0.975 1
1 191 . 3 1 1 A 15 15 ALA CB C 15 19.870 21.568 -1.698 1
1 192 . 3 1 1 A 15 15 ALA N N 15 125.900 120.937 4.963 1
1 193 . 3 1 1 A 16 16 ALA H H 16 7.880 7.855 0.025 1
1 194 . 3 1 1 A 16 16 ALA HA H 16 4.526 4.550 -0.024 1
1 198 . 3 1 1 A 16 16 ALA CA C 16 52.580 50.465 2.115 1
1 199 . 3 1 1 A 16 16 ALA CB C 16 21.400 19.218 2.182 1
1 200 . 3 1 1 A 16 16 ALA N N 16 119.400 120.407 -1.007 1
1 201 . 3 1 1 A 17 17 TYR H H 17 8.270 9.161 -0.891 1
1 202 . 3 1 1 A 17 17 TYR HA H 17 5.290 4.893 0.397 1
1 209 . 3 1 1 A 17 17 TYR CA C 17 59.160 56.701 2.459 1
1 210 . 3 1 1 A 17 17 TYR CB C 17 41.700 38.767 2.933 1
1 215 . 3 1 1 A 17 17 TYR N N 17 120.300 126.643 -6.343 1
1 216 . 3 1 1 A 18 18 GLN H H 18 8.610 8.953 -0.343 1
1 217 . 3 1 1 A 18 18 GLN HA H 18 4.350 4.811 -0.461 1
1 224 . 3 1 1 A 18 18 GLN CA C 18 54.920 55.142 -0.222 1
1 225 . 3 1 1 A 18 18 GLN CB C 18 32.570 30.115 2.455 1
1 227 . 3 1 1 A 18 18 GLN N N 18 128.000 128.804 -0.804 1
1 229 . 3 1 1 A 19 19 GLU H H 19 8.370 9.047 -0.677 1
1 230 . 3 1 1 A 19 19 GLU HA H 19 5.015 5.152 -0.137 1
1 235 . 3 1 1 A 19 19 GLU CA C 19 54.700 55.374 -0.674 1
1 236 . 3 1 1 A 19 19 GLU CB C 19 34.800 31.561 3.239 1
1 238 . 3 1 1 A 19 19 GLU N N 19 122.900 124.772 -1.872 1
1 239 . 3 1 1 A 20 20 GLU H H 20 8.920 9.584 -0.664 1
1 240 . 3 1 1 A 20 20 GLU HA H 20 4.740 4.676 0.064 1
1 245 . 3 1 1 A 20 20 GLU CA C 20 55.100 55.482 -0.382 1
1 246 . 3 1 1 A 20 20 GLU CB C 20 33.800 29.807 3.993 1
1 248 . 3 1 1 A 20 20 GLU N N 20 123.300 125.378 -2.078 1
1 249 . 3 1 1 A 21 21 SER H H 21 9.070 8.945 0.125 1
1 250 . 3 1 1 A 21 21 SER HA H 21 4.430 4.918 -0.488 1
1 253 . 3 1 1 A 21 21 SER CA C 21 59.300 57.352 1.948 1
1 254 . 3 1 1 A 21 21 SER CB C 21 65.000 63.458 1.542 1
1 255 . 3 1 1 A 21 21 SER N N 21 114.800 121.762 -6.962 1
1 256 . 3 1 1 A 22 22 GLU H H 22 7.670 8.236 -0.566 1
1 257 . 3 1 1 A 22 22 GLU HA H 22 4.500 4.332 0.168 1
1 262 . 3 1 1 A 22 22 GLU CA C 22 53.100 59.819 -6.719 1
1 263 . 3 1 1 A 22 22 GLU CB C 22 31.750 30.414 1.336 1
1 265 . 3 1 1 A 22 22 GLU N N 22 119.913 121.851 -1.938 1
1 266 . 3 1 1 A 23 23 PRO HA H 23 4.636 4.367 0.269 1
1 273 . 3 1 1 A 23 23 PRO CA C 23 64.200 64.254 -0.054 1
1 274 . 3 1 1 A 23 23 PRO CB C 23 34.200 31.958 2.242 1
1 277 . 3 1 1 A 24 24 LYS H H 24 7.370 7.500 -0.130 1
1 278 . 3 1 1 A 24 24 LYS HA H 24 4.480 4.615 -0.135 1
1 287 . 3 1 1 A 24 24 LYS CA C 24 54.200 55.488 -1.288 1
1 288 . 3 1 1 A 24 24 LYS CB C 24 36.400 34.830 1.570 1
1 292 . 3 1 1 A 24 24 LYS N N 24 119.400 118.231 1.169 1
1 293 . 3 1 1 A 25 25 ARG H H 25 8.730 8.067 0.663 1
1 294 . 3 1 1 A 25 25 ARG HA H 25 4.470 4.897 -0.427 1
1 302 . 3 1 1 A 25 25 ARG CA C 25 57.000 55.108 1.892 1
1 303 . 3 1 1 A 25 25 ARG CB C 25 28.900 30.876 -1.976 1
1 306 . 3 1 1 A 25 25 ARG N N 25 121.900 121.914 -0.014 1
1 308 . 3 1 1 A 26 26 LYS H H 26 8.220 9.354 -1.134 1
1 309 . 3 1 1 A 26 26 LYS HA H 26 5.270 5.217 0.053 1
1 318 . 3 1 1 A 26 26 LYS CA C 26 55.000 54.718 0.282 1
1 319 . 3 1 1 A 26 26 LYS CB C 26 36.900 35.270 1.630 1
1 323 . 3 1 1 A 26 26 LYS N N 26 124.500 126.331 -1.831 1
1 324 . 3 1 1 A 27 27 ILE H H 27 9.100 9.150 -0.050 1
1 325 . 3 1 1 A 27 27 ILE HA H 27 5.320 4.866 0.454 1
1 335 . 3 1 1 A 27 27 ILE CA C 27 59.000 60.129 -1.129 1
1 336 . 3 1 1 A 27 27 ILE CB C 27 42.480 39.399 3.081 1
1 340 . 3 1 1 A 27 27 ILE N N 27 116.400 123.766 -7.366 1
1 341 . 3 1 1 A 28 28 ALA H H 28 8.730 9.284 -0.554 1
1 342 . 3 1 1 A 28 28 ALA HA H 28 5.460 4.667 0.793 1
1 346 . 3 1 1 A 28 28 ALA CA C 28 50.600 50.144 0.456 1
1 347 . 3 1 1 A 28 28 ALA CB C 28 21.960 19.635 2.325 1
1 348 . 3 1 1 A 28 28 ALA N N 28 124.900 130.103 -5.203 1
1 349 . 3 1 1 A 29 29 PHE H H 29 8.750 7.894 0.856 1
1 350 . 3 1 1 A 29 29 PHE HA H 29 5.420 5.274 0.146 1
1 355 . 3 1 1 A 29 29 PHE CA C 29 55.680 55.299 0.381 1
1 356 . 3 1 1 A 29 29 PHE CB C 29 43.100 40.393 2.707 1
1 359 . 3 1 1 A 29 29 PHE N N 29 118.800 120.705 -1.905 1
1 360 . 3 1 1 A 30 30 THR H H 30 7.980 9.477 -1.497 1
1 361 . 3 1 1 A 30 30 THR HA H 30 5.690 5.183 0.507 1
1 366 . 3 1 1 A 30 30 THR CA C 30 59.900 62.166 -2.266 1
1 367 . 3 1 1 A 30 30 THR CB C 30 71.130 69.759 1.371 1
1 369 . 3 1 1 A 30 30 THR N N 30 114.100 119.463 -5.363 1
1 370 . 3 1 1 A 31 31 LEU H H 31 9.360 8.927 0.433 1
1 371 . 3 1 1 A 31 31 LEU HA H 31 5.020 5.346 -0.326 1
1 381 . 3 1 1 A 31 31 LEU CA C 31 52.990 53.553 -0.563 1
1 382 . 3 1 1 A 31 31 LEU CB C 31 45.400 45.997 -0.597 1
1 386 . 3 1 1 A 31 31 LEU N N 31 125.300 130.090 -4.790 1
1 387 . 3 1 1 A 32 32 ASN H H 32 9.160 8.829 0.331 1
1 388 . 3 1 1 A 32 32 ASN HA H 32 5.210 5.055 0.155 1
1 393 . 3 1 1 A 32 32 ASN CA C 32 52.660 53.604 -0.944 1
1 394 . 3 1 1 A 32 32 ASN CB C 32 38.600 38.658 -0.058 1
1 395 . 3 1 1 A 32 32 ASN N N 32 123.600 124.630 -1.030 1
1 397 . 3 1 1 A 33 33 VAL H H 33 8.880 9.175 -0.295 1
1 398 . 3 1 1 A 33 33 VAL HA H 33 4.080 4.394 -0.314 1
1 406 . 3 1 1 A 33 33 VAL CA C 33 61.940 62.765 -0.825 1
1 407 . 3 1 1 A 33 33 VAL CB C 33 34.600 30.916 3.684 1
1 410 . 3 1 1 A 33 33 VAL N N 33 124.500 125.279 -0.779 1
1 411 . 3 1 1 A 34 34 THR H H 34 7.650 8.715 -1.065 1
1 412 . 3 1 1 A 34 34 THR HA H 34 5.130 4.857 0.273 1
1 417 . 3 1 1 A 34 34 THR CA C 34 59.200 60.305 -1.105 1
1 418 . 3 1 1 A 34 34 THR CB C 34 72.830 69.622 3.208 1
1 420 . 3 1 1 A 34 34 THR N N 34 114.300 119.540 -5.240 1
1 421 . 3 1 1 A 35 35 SER H H 35 9.330 8.998 0.332 1
1 422 . 3 1 1 A 35 35 SER HA H 35 4.020 4.066 -0.046 1
1 425 . 3 1 1 A 35 35 SER CA C 35 62.000 61.758 0.242 1
1 426 . 3 1 1 A 35 35 SER CB C 35 62.400 62.889 -0.489 1
1 427 . 3 1 1 A 35 35 SER N N 35 116.200 116.431 -0.231 1
1 428 . 3 1 1 A 36 36 GLU H H 36 8.360 7.927 0.433 1
1 429 . 3 1 1 A 36 36 GLU HA H 36 4.330 4.370 -0.040 1
1 434 . 3 1 1 A 36 36 GLU CA C 36 58.900 58.469 0.431 1
1 435 . 3 1 1 A 36 36 GLU CB C 36 30.200 30.421 -0.221 1
1 437 . 3 1 1 A 36 36 GLU N N 36 119.200 120.966 -1.766 1
1 438 . 3 1 1 A 37 37 THR H H 37 7.580 7.819 -0.239 1
1 439 . 3 1 1 A 37 37 THR HA H 37 4.650 4.358 0.292 1
1 444 . 3 1 1 A 37 37 THR CA C 37 61.620 64.164 -2.544 1
1 445 . 3 1 1 A 37 37 THR CB C 37 70.630 68.930 1.700 1
1 447 . 3 1 1 A 37 37 THR N N 37 108.800 114.743 -5.943 1
1 448 . 3 1 1 A 38 38 TYR H H 38 7.990 7.657 0.333 1
1 449 . 3 1 1 A 38 38 TYR HA H 38 3.890 4.064 -0.174 1
1 456 . 3 1 1 A 38 38 TYR CA C 38 61.980 61.523 0.457 1
1 457 . 3 1 1 A 38 38 TYR CB C 38 38.600 38.168 0.432 1
1 462 . 3 1 1 A 38 38 TYR N N 38 121.700 123.519 -1.819 1
1 463 . 3 1 1 A 39 39 HIS H H 39 8.770 8.025 0.745 1
1 464 . 3 1 1 A 39 39 HIS HA H 39 3.950 4.120 -0.170 1
1 468 . 3 1 1 A 39 39 HIS CA C 39 60.450 58.978 1.472 1
1 469 . 3 1 1 A 39 39 HIS CB C 39 28.350 29.760 -1.410 1
1 471 . 3 1 1 A 39 39 HIS N N 39 116.400 117.908 -1.508 1
1 472 . 3 1 1 A 40 40 ASP H H 40 8.180 8.118 0.062 1
1 473 . 3 1 1 A 40 40 ASP HA H 40 4.280 4.348 -0.068 1
1 476 . 3 1 1 A 40 40 ASP CA C 40 57.230 57.020 0.210 1
1 477 . 3 1 1 A 40 40 ASP CB C 40 39.980 40.903 -0.923 1
1 478 . 3 1 1 A 40 40 ASP N N 40 117.200 117.856 -0.656 1
1 479 . 3 1 1 A 41 41 ILE H H 41 7.700 8.049 -0.349 1
1 480 . 3 1 1 A 41 41 ILE HA H 41 3.740 3.665 0.075 1
1 490 . 3 1 1 A 41 41 ILE CA C 41 63.400 63.541 -0.141 1
1 491 . 3 1 1 A 41 41 ILE CB C 41 37.000 36.976 0.024 1
1 495 . 3 1 1 A 41 41 ILE N N 41 120.600 120.719 -0.119 1
1 496 . 3 1 1 A 42 42 ALA H H 42 8.630 7.289 1.341 1
1 497 . 3 1 1 A 42 42 ALA HA H 42 3.790 3.937 -0.147 1
1 501 . 3 1 1 A 42 42 ALA CA C 42 55.780 53.790 1.990 1
1 502 . 3 1 1 A 42 42 ALA CB C 42 17.400 17.916 -0.516 1
1 503 . 3 1 1 A 42 42 ALA N N 42 122.900 123.427 -0.527 1
1 504 . 3 1 1 A 43 43 VAL H H 43 7.650 7.248 0.402 1
1 505 . 3 1 1 A 43 43 VAL HA H 43 3.390 3.985 -0.595 1
1 513 . 3 1 1 A 43 43 VAL CA C 43 65.700 64.403 1.297 1
1 514 . 3 1 1 A 43 43 VAL CB C 43 31.740 32.650 -0.910 1
1 517 . 3 1 1 A 43 43 VAL N N 43 114.600 115.149 -0.549 1
1 518 . 3 1 1 A 44 44 LEU H H 44 7.250 7.161 0.089 1
1 519 . 3 1 1 A 44 44 LEU HA H 44 4.300 4.338 -0.038 1
1 529 . 3 1 1 A 44 44 LEU CA C 44 57.900 54.315 3.585 1
1 530 . 3 1 1 A 44 44 LEU CB C 44 42.250 42.298 -0.048 1
1 534 . 3 1 1 A 44 44 LEU N N 44 122.800 119.893 2.907 1
1 535 . 3 1 1 A 45 45 LEU H H 45 8.060 8.781 -0.721 1
1 536 . 3 1 1 A 45 45 LEU HA H 45 4.430 4.648 -0.218 1
1 546 . 3 1 1 A 45 45 LEU CA C 45 55.200 53.294 1.906 1
1 547 . 3 1 1 A 45 45 LEU CB C 45 41.600 43.087 -1.487 1
1 551 . 3 1 1 A 46 46 TYR H H 46 8.040 9.533 -1.493 1
1 552 . 3 1 1 A 46 46 TYR HA H 46 5.380 4.409 0.971 1
1 559 . 3 1 1 A 46 46 TYR CA C 46 56.900 61.487 -4.587 1
1 560 . 3 1 1 A 46 46 TYR CB C 46 40.500 37.019 3.481 1
1 565 . 3 1 1 A 46 46 TYR N N 46 122.700 126.670 -3.970 1
1 566 . 3 1 1 A 47 47 GLU HA H 47 4.000 4.016 -0.016 1
1 571 . 3 1 1 A 47 47 GLU CA C 47 57.700 58.964 -1.264 1
1 572 . 3 1 1 A 47 47 GLU CB C 47 29.800 28.147 1.653 1
1 574 . 3 1 1 A 48 48 LYS HA H 48 4.660 4.389 0.271 1
1 583 . 3 1 1 A 48 48 LYS CA C 48 57.450 56.587 0.863 1
1 584 . 3 1 1 A 48 48 LYS CB C 48 36.800 32.861 3.939 1
1 588 . 3 1 1 A 49 49 THR H H 49 7.540 7.920 -0.380 1
1 589 . 3 1 1 A 49 49 THR HA H 49 4.830 4.922 -0.092 1
1 594 . 3 1 1 A 49 49 THR CA C 49 60.360 61.060 -0.700 1
1 595 . 3 1 1 A 49 49 THR CB C 49 70.850 70.027 0.823 1
1 597 . 3 1 1 A 49 49 THR N N 49 115.800 113.509 2.291 1
1 598 . 3 1 1 A 50 50 PHE H H 50 9.030 8.944 0.086 1
1 599 . 3 1 1 A 50 50 PHE HA H 50 5.150 5.132 0.018 1
1 606 . 3 1 1 A 50 50 PHE CA C 50 55.680 56.709 -1.029 1
1 607 . 3 1 1 A 50 50 PHE CB C 50 44.220 40.987 3.233 1
1 612 . 3 1 1 A 50 50 PHE N N 50 118.300 123.955 -5.655 1
1 613 . 3 1 1 A 51 51 ASN H H 51 8.810 8.883 -0.073 1
1 614 . 3 1 1 A 51 51 ASN HA H 51 4.920 4.805 0.115 1
1 619 . 3 1 1 A 51 51 ASN CA C 51 53.960 52.477 1.483 1
1 620 . 3 1 1 A 51 51 ASN CB C 51 37.900 38.255 -0.355 1
1 621 . 3 1 1 A 51 51 ASN N N 51 121.100 123.293 -2.193 1
1 623 . 3 1 1 A 52 52 VAL H H 52 9.140 8.655 0.485 1
1 624 . 3 1 1 A 52 52 VAL HA H 52 4.370 4.446 -0.076 1
1 632 . 3 1 1 A 52 52 VAL CA C 52 61.660 62.656 -0.996 1
1 633 . 3 1 1 A 52 52 VAL CB C 52 32.590 30.806 1.784 1
1 636 . 3 1 1 A 52 52 VAL N N 52 129.300 126.376 2.924 1
1 637 . 3 1 1 A 53 53 GLU H H 53 9.020 8.732 0.288 1
1 638 . 3 1 1 A 53 53 GLU HA H 53 5.090 5.302 -0.212 1
1 643 . 3 1 1 A 53 53 GLU CA C 53 55.500 55.206 0.294 1
1 644 . 3 1 1 A 53 53 GLU CB C 53 31.940 31.033 0.907 1
1 646 . 3 1 1 A 53 53 GLU N N 53 125.400 127.062 -1.662 1
1 647 . 3 1 1 A 54 54 VAL H H 54 8.840 9.063 -0.223 1
1 648 . 3 1 1 A 54 54 VAL HA H 54 4.680 4.748 -0.068 1
1 656 . 3 1 1 A 54 54 VAL CA C 54 58.900 58.916 -0.016 1
1 657 . 3 1 1 A 54 54 VAL CB C 54 31.900 33.466 -1.566 1
1 660 . 3 1 1 A 54 54 VAL N N 54 123.100 125.069 -1.969 1
1 661 . 3 1 1 A 55 55 PRO HA H 55 4.480 4.426 0.054 1
1 668 . 3 1 1 A 55 55 PRO CA C 55 65.720 64.571 1.149 1
1 669 . 3 1 1 A 55 55 PRO CB C 55 32.040 31.877 0.163 1
1 672 . 3 1 1 A 56 56 GLU H H 56 10.050 7.861 2.189 1
1 673 . 3 1 1 A 56 56 GLU HA H 56 4.145 4.073 0.072 1
1 678 . 3 1 1 A 56 56 GLU CA C 56 58.580 59.589 -1.009 1
1 679 . 3 1 1 A 56 56 GLU CB C 56 30.000 29.430 0.570 1
1 681 . 3 1 1 A 56 56 GLU N N 56 118.000 118.091 -0.091 1
1 682 . 3 1 1 A 57 57 ARG H H 57 7.550 7.660 -0.110 1
1 683 . 3 1 1 A 57 57 ARG HA H 57 4.480 4.445 0.035 1
1 691 . 3 1 1 A 57 57 ARG CA C 57 52.560 55.017 -2.457 1
1 692 . 3 1 1 A 57 57 ARG CB C 57 29.990 30.777 -0.787 1
1 695 . 3 1 1 A 57 57 ARG N N 57 116.400 116.599 -0.199 1
1 697 . 3 1 1 A 58 58 ASP H H 58 7.920 8.157 -0.237 1
1 698 . 3 1 1 A 58 58 ASP HA H 58 4.250 4.290 -0.040 1
1 701 . 3 1 1 A 58 58 ASP CA C 58 55.420 54.940 0.480 1
1 702 . 3 1 1 A 58 58 ASP CB C 58 39.860 39.274 0.586 1
1 703 . 3 1 1 A 58 58 ASP N N 58 118.400 119.127 -0.727 1
1 704 . 3 1 1 A 59 59 LEU H H 59 6.930 7.897 -0.967 1
1 705 . 3 1 1 A 59 59 LEU HA H 59 4.770 5.022 -0.252 1
1 715 . 3 1 1 A 59 59 LEU CA C 59 53.830 54.170 -0.340 1
1 716 . 3 1 1 A 59 59 LEU CB C 59 45.800 45.368 0.432 1
1 720 . 3 1 1 A 59 59 LEU N N 59 116.500 122.381 -5.881 1
1 721 . 3 1 1 A 60 60 ALA H H 60 8.690 8.935 -0.245 1
1 722 . 3 1 1 A 60 60 ALA HA H 60 5.353 4.954 0.399 1
1 726 . 3 1 1 A 60 60 ALA CA C 60 52.020 50.736 1.284 1
1 727 . 3 1 1 A 60 60 ALA CB C 60 21.060 19.622 1.438 1
1 728 . 3 1 1 A 60 60 ALA N N 60 130.000 129.911 0.089 1
1 729 . 3 1 1 A 61 61 PHE H H 61 8.470 9.037 -0.567 1
1 730 . 3 1 1 A 61 61 PHE HA H 61 4.933 5.180 -0.247 1
1 737 . 3 1 1 A 61 61 PHE CA C 61 56.500 57.093 -0.593 1
1 738 . 3 1 1 A 61 61 PHE CB C 61 39.720 42.790 -3.070 1
1 743 . 3 1 1 A 61 61 PHE N N 61 117.500 124.818 -7.318 1
1 744 . 3 1 1 A 62 62 ARG H H 62 9.270 8.352 0.918 1
1 745 . 3 1 1 A 62 62 ARG HA H 62 5.290 4.908 0.382 1
1 753 . 3 1 1 A 62 62 ARG CA C 62 54.950 55.067 -0.117 1
1 754 . 3 1 1 A 62 62 ARG CB C 62 30.800 31.422 -0.622 1
1 757 . 3 1 1 A 62 62 ARG N N 62 122.500 128.315 -5.815 1
1 759 . 3 1 1 A 63 63 GLY H H 63 9.370 8.924 0.446 1
1 760 . 3 1 1 A 63 63 GLY HA2 H 63 5.440 4.229 1.211 1
1 761 . 3 1 1 A 63 63 GLY HA3 H 63 3.460 4.347 -0.887 1
1 762 . 3 1 1 A 63 63 GLY CA C 63 45.000 44.345 0.655 1
1 763 . 3 1 1 A 63 63 GLY N N 63 112.700 113.005 -0.305 1
1 764 . 3 1 1 A 64 64 GLU H H 64 9.090 9.057 0.033 1
1 765 . 3 1 1 A 64 64 GLU HA H 64 5.410 5.325 0.085 1
1 770 . 3 1 1 A 64 64 GLU CA C 64 53.160 54.441 -1.281 1
1 771 . 3 1 1 A 64 64 GLU CB C 64 33.500 33.485 0.015 1
1 773 . 3 1 1 A 64 64 GLU N N 64 118.400 117.091 1.309 1
1 774 . 3 1 1 A 65 65 MET H H 65 9.320 9.575 -0.255 1
1 775 . 3 1 1 A 65 65 MET HA H 65 5.070 4.584 0.486 1
1 783 . 3 1 1 A 65 65 MET CA C 65 56.700 54.004 2.696 1
1 784 . 3 1 1 A 65 65 MET CB C 65 34.500 32.438 2.062 1
1 787 . 3 1 1 A 65 65 MET N N 65 124.900 122.352 2.548 1
1 788 . 3 1 1 A 66 66 THR H H 66 8.970 8.671 0.299 1
1 789 . 3 1 1 A 66 66 THR HA H 66 4.480 4.390 0.090 1
1 794 . 3 1 1 A 66 66 THR CA C 66 61.970 62.534 -0.564 1
1 795 . 3 1 1 A 66 66 THR CB C 66 69.160 68.920 0.240 1
1 797 . 3 1 1 A 66 66 THR N N 66 120.300 116.471 3.829 1
1 798 . 3 1 1 A 67 67 ASN H H 67 7.850 7.677 0.173 1
1 799 . 3 1 1 A 67 67 ASN HA H 67 4.850 4.891 -0.041 1
1 804 . 3 1 1 A 67 67 ASN CA C 67 54.240 51.837 2.403 1
1 805 . 3 1 1 A 67 67 ASN CB C 67 41.900 40.302 1.598 1
1 806 . 3 1 1 A 67 67 ASN N N 67 119.200 117.324 1.876 1
1 808 . 3 1 1 A 68 68 TYR H H 68 8.720 8.280 0.440 1
1 809 . 3 1 1 A 68 68 TYR HA H 68 4.611 5.287 -0.676 1
1 812 . 3 1 1 A 68 68 TYR CA C 68 54.600 55.154 -0.554 1
1 813 . 3 1 1 A 68 68 TYR CB C 68 41.180 41.714 -0.534 1
1 814 . 3 1 1 A 68 68 TYR N N 68 123.200 117.477 5.723 1
1 815 . 3 1 1 A 69 69 SER H H 69 8.160 9.003 -0.843 1
1 816 . 3 1 1 A 69 69 SER HA H 69 4.450 4.931 -0.481 1
1 819 . 3 1 1 A 69 69 SER CA C 69 58.913 57.465 1.448 1
1 820 . 3 1 1 A 69 69 SER CB C 69 65.000 65.628 -0.628 1
1 821 . 3 1 1 A 69 69 SER N N 69 115.000 117.981 -2.981 1
1 822 . 3 1 1 A 70 70 THR H H 70 8.250 8.500 -0.250 1
1 823 . 3 1 1 A 70 70 THR HA H 70 4.200 4.812 -0.612 1
1 828 . 3 1 1 A 70 70 THR CA C 70 62.200 60.612 1.588 1
1 829 . 3 1 1 A 70 70 THR CB C 70 70.060 69.323 0.737 1
1 831 . 3 1 1 A 70 70 THR N N 70 111.000 117.324 -6.324 1
1 832 . 3 1 1 A 71 71 SER HA H 71 4.610 4.455 0.155 1
1 835 . 3 1 1 A 71 71 SER CA C 71 58.100 59.952 -1.852 1
1 836 . 3 1 1 A 71 71 SER CB C 71 63.600 63.663 -0.063 1
1 837 . 3 1 1 A 72 72 LEU H H 72 8.290 7.984 0.306 1
1 838 . 3 1 1 A 72 72 LEU HA H 72 4.300 4.665 -0.365 1
1 847 . 3 1 1 A 72 72 LEU CA C 72 56.500 56.343 0.157 1
1 848 . 3 1 1 A 72 72 LEU CB C 72 40.600 44.314 -3.714 1
1 852 . 3 1 1 A 72 72 LEU N N 72 122.300 119.686 2.614 1
1 853 . 3 1 1 A 73 73 THR H H 73 8.000 7.346 0.654 1
1 854 . 3 1 1 A 73 73 THR HA H 73 5.110 4.246 0.864 1
1 859 . 3 1 1 A 73 73 THR CA C 73 59.300 61.526 -2.226 1
1 860 . 3 1 1 A 73 73 THR CB C 73 71.950 69.803 2.147 1
1 862 . 3 1 1 A 74 74 ASN H H 74 8.370 8.460 -0.090 1
1 863 . 3 1 1 A 74 74 ASN HA H 74 4.660 4.816 -0.156 1
1 868 . 3 1 1 A 74 74 ASN CA C 74 52.780 52.310 0.470 1
1 869 . 3 1 1 A 74 74 ASN CB C 74 38.360 38.451 -0.091 1
1 870 . 3 1 1 A 74 74 ASN N N 74 121.500 118.576 2.924 1
1 872 . 3 1 1 A 75 75 LEU H H 75 8.020 7.801 0.219 1
1 873 . 3 1 1 A 75 75 LEU HA H 75 3.970 3.809 0.161 1
1 883 . 3 1 1 A 75 75 LEU CA C 75 55.500 55.954 -0.454 1
1 884 . 3 1 1 A 75 75 LEU CB C 75 41.800 39.888 1.912 1
1 888 . 3 1 1 A 75 75 LEU N N 75 123.200 117.101 6.099 1
1 889 . 3 1 1 A 76 76 TYR H H 76 7.930 8.004 -0.074 1
1 890 . 3 1 1 A 76 76 TYR HA H 76 4.450 4.845 -0.395 1
1 897 . 3 1 1 A 76 76 TYR CA C 76 58.000 58.925 -0.925 1
1 898 . 3 1 1 A 76 76 TYR CB C 76 37.700 40.688 -2.988 1
1 903 . 3 1 1 A 76 76 TYR N N 76 116.100 118.831 -2.731 1
1 904 . 3 1 1 A 77 77 GLU H H 77 7.410 7.648 -0.238 1
1 905 . 3 1 1 A 77 77 GLU HA H 77 4.650 4.675 -0.025 1
1 910 . 3 1 1 A 77 77 GLU CA C 77 53.700 54.101 -0.401 1
1 911 . 3 1 1 A 77 77 GLU CB C 77 30.200 30.811 -0.611 1
1 913 . 3 1 1 A 77 77 GLU N N 77 122.300 118.432 3.868 1
1 914 . 3 1 1 A 78 78 PRO HA H 78 4.340 4.814 -0.474 1
1 921 . 3 1 1 A 78 78 PRO CA C 78 64.000 62.536 1.464 1
1 922 . 3 1 1 A 78 78 PRO CB C 78 31.740 33.633 -1.893 1
1 925 . 3 1 1 A 79 79 GLY H H 79 8.980 7.995 0.985 1
1 926 . 3 1 1 A 79 79 GLY HA2 H 79 3.822 3.975 -0.153 1
1 927 . 3 1 1 A 79 79 GLY HA3 H 79 4.090 4.071 0.019 1
1 928 . 3 1 1 A 79 79 GLY CA C 79 45.570 46.122 -0.552 1
1 929 . 3 1 1 A 79 79 GLY N N 79 112.300 106.099 6.201 1
1 930 . 3 1 1 A 80 80 ALA H H 80 7.670 8.169 -0.499 1
1 931 . 3 1 1 A 80 80 ALA HA H 80 4.300 4.720 -0.420 1
1 935 . 3 1 1 A 80 80 ALA CA C 80 52.880 51.565 1.315 1
1 936 . 3 1 1 A 80 80 ALA CB C 80 20.670 22.021 -1.351 1
1 937 . 3 1 1 A 80 80 ALA N N 80 123.200 121.016 2.184 1
1 938 . 3 1 1 A 81 81 VAL H H 81 8.280 8.453 -0.173 1
1 939 . 3 1 1 A 81 81 VAL HA H 81 4.410 3.603 0.807 1
1 947 . 3 1 1 A 81 81 VAL CA C 81 61.540 63.125 -1.585 1
1 948 . 3 1 1 A 81 81 VAL CB C 81 34.000 29.884 4.116 1
1 951 . 3 1 1 A 82 82 SER H H 82 8.970 8.615 0.355 1
1 952 . 3 1 1 A 82 82 SER HA H 82 4.685 4.781 -0.096 1
1 955 . 3 1 1 A 82 82 SER CA C 82 57.180 57.992 -0.812 1
1 956 . 3 1 1 A 82 82 SER CB C 82 65.200 63.496 1.704 1
1 957 . 3 1 1 A 82 82 SER N N 82 122.000 117.486 4.514 1
1 958 . 3 1 1 A 83 83 GLU H H 83 8.360 8.713 -0.353 1
1 959 . 3 1 1 A 83 83 GLU HA H 83 4.500 5.142 -0.642 1
1 964 . 3 1 1 A 83 83 GLU CA C 83 53.020 56.460 -3.440 1
1 965 . 3 1 1 A 83 83 GLU CB C 83 31.800 30.497 1.303 1
1 967 . 3 1 1 A 83 83 GLU N N 83 122.800 125.931 -3.131 1
1 968 . 3 1 1 A 84 84 PHE H H 84 9.160 9.767 -0.607 1
1 969 . 3 1 1 A 84 84 PHE HA H 84 4.920 5.400 -0.480 1
1 977 . 3 1 1 A 84 84 PHE CA C 84 54.840 58.916 -4.076 1
1 978 . 3 1 1 A 84 84 PHE CB C 84 40.690 40.190 0.500 1
1 984 . 3 1 1 A 84 84 PHE N N 84 123.800 125.154 -1.354 1
1 985 . 3 1 1 A 85 85 TYR H H 85 8.810 8.702 0.108 1
1 986 . 3 1 1 A 85 85 TYR HA H 85 5.050 5.257 -0.207 1
1 993 . 3 1 1 A 85 85 TYR CA C 85 56.190 56.452 -0.262 1
1 994 . 3 1 1 A 85 85 TYR CB C 85 37.800 40.602 -2.802 1
1 999 . 3 1 1 A 85 85 TYR N N 85 123.600 124.523 -0.923 1
1 1000 . 3 1 1 A 86 86 ILE H H 86 8.340 8.413 -0.073 1
1 1001 . 3 1 1 A 86 86 ILE HA H 86 4.520 4.711 -0.191 1
1 1011 . 3 1 1 A 86 86 ILE CA C 86 59.340 60.497 -1.157 1
1 1012 . 3 1 1 A 86 86 ILE CB C 86 40.300 39.236 1.064 1
1 1016 . 3 1 1 A 86 86 ILE N N 86 126.200 128.902 -2.702 1
1 1017 . 3 1 1 A 87 87 GLU H H 87 8.200 8.880 -0.680 1
1 1018 . 3 1 1 A 87 87 GLU HA H 87 5.330 5.202 0.128 1
1 1023 . 3 1 1 A 87 87 GLU CA C 87 54.500 54.810 -0.310 1
1 1024 . 3 1 1 A 87 87 GLU CB C 87 34.100 30.709 3.391 1
1 1026 . 3 1 1 A 87 87 GLU N N 87 124.600 125.613 -1.013 1
1 1027 . 3 1 1 A 88 88 ILE H H 88 9.250 8.642 0.608 1
1 1028 . 3 1 1 A 88 88 ILE HA H 88 5.080 4.565 0.515 1
1 1038 . 3 1 1 A 88 88 ILE CA C 88 59.900 60.788 -0.888 1
1 1039 . 3 1 1 A 88 88 ILE CB C 88 42.100 37.951 4.149 1
1 1043 . 3 1 1 A 88 88 ILE N N 88 124.900 126.673 -1.773 1
1 1044 . 3 1 1 A 89 89 THR H H 89 9.020 8.408 0.612 1
1 1045 . 3 1 1 A 89 89 THR HA H 89 4.960 4.827 0.133 1
1 1050 . 3 1 1 A 89 89 THR CA C 89 61.600 60.321 1.279 1
1 1051 . 3 1 1 A 89 89 THR CB C 89 70.000 70.745 -0.745 1
1 1053 . 3 1 1 A 89 89 THR N N 89 122.900 119.528 3.372 1
1 1054 . 3 1 1 A 90 90 GLU H H 90 8.910 8.211 0.699 1
1 1055 . 3 1 1 A 90 90 GLU HA H 90 4.730 4.566 0.164 1
1 1060 . 3 1 1 A 90 90 GLU CA C 90 57.300 57.055 0.245 1
1 1061 . 3 1 1 A 90 90 GLU CB C 90 30.570 30.116 0.454 1
1 1063 . 3 1 1 A 90 90 GLU N N 90 128.600 122.616 5.984 1
1 1064 . 3 1 1 A 91 91 ILE H H 91 8.550 8.541 0.009 1
1 1065 . 3 1 1 A 91 91 ILE HA H 91 4.230 4.134 0.096 1
1 1075 . 3 1 1 A 91 91 ILE CA C 91 61.400 62.204 -0.804 1
1 1076 . 3 1 1 A 91 91 ILE CB C 91 39.800 38.959 0.841 1
1 1080 . 3 1 1 A 91 91 ILE N N 91 124.600 127.037 -2.437 1
1 1081 . 3 1 1 A 92 92 ASP H H 92 8.550 9.061 -0.511 1
1 1082 . 3 1 1 A 92 92 ASP HA H 92 4.612 5.084 -0.472 1
1 1085 . 3 1 1 A 92 92 ASP CA C 92 54.370 52.800 1.570 1
1 1086 . 3 1 1 A 92 92 ASP CB C 92 41.570 43.001 -1.431 1
1 1087 . 3 1 1 A 92 92 ASP N N 92 124.100 128.963 -4.863 1
1 1088 . 3 1 1 A 93 93 LYS H H 93 8.530 8.507 0.023 1
1 1089 . 3 1 1 A 93 93 LYS HA H 93 4.240 4.525 -0.285 1
1 1098 . 3 1 1 A 93 93 LYS CA C 93 57.100 56.410 0.690 1
1 1099 . 3 1 1 A 93 93 LYS CB C 93 32.900 32.083 0.817 1
1 1103 . 3 1 1 A 93 93 LYS N N 93 123.200 120.647 2.553 1
1 1104 . 3 1 1 A 94 94 ASN H H 94 8.590 7.914 0.676 1
1 1105 . 3 1 1 A 94 94 ASN HA H 94 4.680 4.408 0.272 1
1 1110 . 3 1 1 A 94 94 ASN CA C 94 53.300 56.030 -2.730 1
1 1111 . 3 1 1 A 94 94 ASN CB C 94 38.700 38.479 0.221 1
1 1112 . 3 1 1 A 94 94 ASN N N 94 118.800 117.174 1.626 1
1 1114 . 3 1 1 A 95 95 ALA H H 95 8.110 7.410 0.700 1
1 1115 . 3 1 1 A 95 95 ALA HA H 95 4.270 4.087 0.183 1
1 1119 . 3 1 1 A 95 95 ALA CA C 95 53.160 54.944 -1.784 1
1 1120 . 3 1 1 A 95 95 ALA CB C 95 19.100 18.682 0.418 1
1 1121 . 3 1 1 A 95 95 ALA N N 95 123.990 120.569 3.421 1
1 1122 . 3 1 1 A 96 96 ASP H H 96 8.290 8.076 0.214 1
1 1123 . 3 1 1 A 96 96 ASP HA H 96 4.610 5.116 -0.506 1
1 1126 . 3 1 1 A 96 96 ASP CA C 96 54.400 52.961 1.439 1
1 1127 . 3 1 1 A 96 96 ASP CB C 96 41.300 44.429 -3.129 1
1 1128 . 3 1 1 A 96 96 ASP N N 96 119.100 117.552 1.548 1
1 1129 . 3 1 1 A 97 97 SER H H 97 8.150 8.802 -0.652 1
1 1130 . 3 1 1 A 97 97 SER HA H 97 4.380 4.695 -0.315 1
1 1133 . 3 1 1 A 97 97 SER CA C 97 58.600 57.397 1.203 1
1 1134 . 3 1 1 A 97 97 SER CB C 97 63.600 64.826 -1.226 1
1 1135 . 3 1 1 A 97 97 SER N N 97 115.800 119.276 -3.476 1
1 1136 . 3 1 1 A 98 98 LEU H H 98 8.240 8.093 0.147 1
1 1137 . 3 1 1 A 98 98 LEU HA H 98 4.260 4.014 0.246 1
1 1147 . 3 1 1 A 98 98 LEU CA C 98 55.650 55.651 -0.001 1
1 1148 . 3 1 1 A 98 98 LEU CB C 98 42.190 40.671 1.519 1
1 1152 . 3 1 1 A 98 98 LEU N N 98 123.500 121.890 1.610 1
1 1153 . 3 1 1 A 99 99 GLU H H 99 8.190 7.990 0.200 1
1 1154 . 3 1 1 A 99 99 GLU HA H 99 4.130 4.100 0.030 1
1 1159 . 3 1 1 A 99 99 GLU CA C 99 56.850 56.981 -0.131 1
1 1160 . 3 1 1 A 99 99 GLU CB C 99 29.900 29.419 0.481 1
1 1162 . 3 1 1 A 99 99 GLU N N 99 119.900 117.262 2.638 1
1 1163 . 3 1 1 A 100 100 HIS H H 100 8.200 8.524 -0.324 1
1 1164 . 3 1 1 A 100 100 HIS HA H 100 4.560 4.240 0.320 1
1 1168 . 3 1 1 A 100 100 HIS CA C 100 55.835 56.542 -0.707 1
1 1169 . 3 1 1 A 100 100 HIS CB C 100 30.370 27.583 2.787 1
1 13 . 4 1 1 A 2 2 VAL H H 2 8.440 8.109 0.331 1
1 14 . 4 1 1 A 2 2 VAL HA H 2 3.790 3.666 0.124 1
1 22 . 4 1 1 A 2 2 VAL CA C 2 62.900 62.158 0.742 1
1 23 . 4 1 1 A 2 2 VAL CB C 2 32.100 29.651 2.449 1
1 26 . 4 1 1 A 2 2 VAL N N 2 125.800 117.064 8.736 1
1 27 . 4 1 1 A 3 3 LYS H H 3 8.980 8.253 0.727 1
1 28 . 4 1 1 A 3 3 LYS HA H 3 4.650 4.120 0.530 1
1 37 . 4 1 1 A 3 3 LYS CA C 3 57.100 58.156 -1.056 1
1 38 . 4 1 1 A 3 3 LYS CB C 3 36.400 32.906 3.494 1
1 42 . 4 1 1 A 3 3 LYS N N 3 124.600 122.085 2.515 1
1 43 . 4 1 1 A 4 4 THR H H 4 7.740 7.775 -0.035 1
1 44 . 4 1 1 A 4 4 THR HA H 4 4.310 4.652 -0.342 1
1 49 . 4 1 1 A 4 4 THR CA C 4 64.990 61.895 3.095 1
1 50 . 4 1 1 A 4 4 THR CB C 4 68.700 69.001 -0.301 1
1 52 . 4 1 1 A 4 4 THR N N 4 117.900 113.786 4.114 1
1 53 . 4 1 1 A 5 5 LEU H H 5 8.460 8.999 -0.539 1
1 54 . 4 1 1 A 5 5 LEU HA H 5 4.850 5.293 -0.443 1
1 64 . 4 1 1 A 5 5 LEU CA C 5 52.700 53.428 -0.728 1
1 65 . 4 1 1 A 5 5 LEU CB C 5 45.190 45.899 -0.709 1
1 69 . 4 1 1 A 5 5 LEU N N 5 130.600 129.088 1.512 1
1 70 . 4 1 1 A 6 6 ARG H H 6 9.050 8.952 0.098 1
1 71 . 4 1 1 A 6 6 ARG HA H 6 5.500 5.152 0.348 1
1 79 . 4 1 1 A 6 6 ARG CA C 6 54.350 54.442 -0.092 1
1 80 . 4 1 1 A 6 6 ARG CB C 6 33.080 33.779 -0.699 1
1 83 . 4 1 1 A 6 6 ARG N N 6 123.100 124.540 -1.440 1
1 85 . 4 1 1 A 7 7 LEU H H 7 8.290 9.018 -0.728 1
1 86 . 4 1 1 A 7 7 LEU HA H 7 4.870 4.959 -0.089 1
1 96 . 4 1 1 A 7 7 LEU CA C 7 52.270 53.797 -1.527 1
1 97 . 4 1 1 A 7 7 LEU CB C 7 43.800 42.012 1.788 1
1 101 . 4 1 1 A 7 7 LEU N N 7 121.300 123.906 -2.606 1
1 102 . 4 1 1 A 8 8 ASN H H 8 9.220 9.687 -0.467 1
1 103 . 4 1 1 A 8 8 ASN HA H 8 4.580 4.346 0.234 1
1 108 . 4 1 1 A 8 8 ASN CA C 8 54.180 54.133 0.047 1
1 109 . 4 1 1 A 8 8 ASN CB C 8 36.400 37.323 -0.923 1
1 110 . 4 1 1 A 8 8 ASN N N 8 121.700 123.453 -1.753 1
1 112 . 4 1 1 A 9 9 ASN HA H 9 4.180 4.528 -0.348 1
1 117 . 4 1 1 A 9 9 ASN CA C 9 54.800 54.638 0.162 1
1 118 . 4 1 1 A 9 9 ASN CB C 9 38.200 38.231 -0.031 1
1 120 . 4 1 1 A 10 10 VAL H H 10 8.220 7.383 0.837 1
1 121 . 4 1 1 A 10 10 VAL HA H 10 4.090 4.070 0.020 1
1 129 . 4 1 1 A 10 10 VAL CA C 10 62.820 62.487 0.333 1
1 130 . 4 1 1 A 10 10 VAL CB C 10 32.450 31.657 0.793 1
1 133 . 4 1 1 A 10 10 VAL N N 10 124.500 121.776 2.724 1
1 134 . 4 1 1 A 11 11 THR H H 11 8.496 8.741 -0.245 1
1 135 . 4 1 1 A 11 11 THR HA H 11 4.670 4.413 0.257 1
1 140 . 4 1 1 A 11 11 THR CA C 11 63.830 63.245 0.585 1
1 141 . 4 1 1 A 11 11 THR CB C 11 68.980 69.399 -0.419 1
1 143 . 4 1 1 A 11 11 THR N N 11 123.600 123.485 0.115 1
1 144 . 4 1 1 A 12 12 LEU H H 12 9.700 9.007 0.693 1
1 145 . 4 1 1 A 12 12 LEU HA H 12 4.670 5.067 -0.397 1
1 155 . 4 1 1 A 12 12 LEU CA C 12 53.480 53.337 0.143 1
1 156 . 4 1 1 A 12 12 LEU CB C 12 46.060 46.382 -0.322 1
1 160 . 4 1 1 A 12 12 LEU N N 12 129.900 127.375 2.525 1
1 161 . 4 1 1 A 13 13 GLU H H 13 8.500 8.588 -0.088 1
1 162 . 4 1 1 A 13 13 GLU HA H 13 4.850 5.014 -0.164 1
1 167 . 4 1 1 A 13 13 GLU CA C 13 54.500 54.433 0.067 1
1 168 . 4 1 1 A 13 13 GLU CB C 13 31.600 33.372 -1.772 1
1 170 . 4 1 1 A 13 13 GLU N N 13 121.100 123.491 -2.391 1
1 171 . 4 1 1 A 14 14 MET H H 14 9.340 8.757 0.583 1
1 172 . 4 1 1 A 14 14 MET HA H 14 4.750 5.183 -0.433 1
1 180 . 4 1 1 A 14 14 MET CA C 14 55.380 54.217 1.163 1
1 181 . 4 1 1 A 14 14 MET CB C 14 33.823 37.005 -3.182 1
1 184 . 4 1 1 A 14 14 MET N N 14 124.300 121.053 3.247 1
1 185 . 4 1 1 A 15 15 ALA H H 15 9.040 8.606 0.434 1
1 186 . 4 1 1 A 15 15 ALA HA H 15 4.490 4.436 0.054 1
1 190 . 4 1 1 A 15 15 ALA CA C 15 52.570 54.079 -1.509 1
1 191 . 4 1 1 A 15 15 ALA CB C 15 19.870 19.951 -0.081 1
1 192 . 4 1 1 A 15 15 ALA N N 15 125.900 123.712 2.188 1
1 193 . 4 1 1 A 16 16 ALA H H 16 7.880 7.649 0.231 1
1 194 . 4 1 1 A 16 16 ALA HA H 16 4.526 4.650 -0.124 1
1 198 . 4 1 1 A 16 16 ALA CA C 16 52.580 50.600 1.980 1
1 199 . 4 1 1 A 16 16 ALA CB C 16 21.400 19.489 1.911 1
1 200 . 4 1 1 A 16 16 ALA N N 16 119.400 119.959 -0.559 1
1 201 . 4 1 1 A 17 17 TYR H H 17 8.270 9.216 -0.946 1
1 202 . 4 1 1 A 17 17 TYR HA H 17 5.290 4.837 0.453 1
1 209 . 4 1 1 A 17 17 TYR CA C 17 59.160 57.166 1.994 1
1 210 . 4 1 1 A 17 17 TYR CB C 17 41.700 38.654 3.046 1
1 215 . 4 1 1 A 17 17 TYR N N 17 120.300 127.016 -6.716 1
1 216 . 4 1 1 A 18 18 GLN H H 18 8.610 8.526 0.084 1
1 217 . 4 1 1 A 18 18 GLN HA H 18 4.350 4.748 -0.398 1
1 224 . 4 1 1 A 18 18 GLN CA C 18 54.920 54.292 0.628 1
1 225 . 4 1 1 A 18 18 GLN CB C 18 32.570 29.936 2.634 1
1 227 . 4 1 1 A 18 18 GLN N N 18 128.000 128.377 -0.377 1
1 229 . 4 1 1 A 19 19 GLU H H 19 8.370 8.850 -0.480 1
1 230 . 4 1 1 A 19 19 GLU HA H 19 5.015 5.067 -0.052 1
1 235 . 4 1 1 A 19 19 GLU CA C 19 54.700 54.723 -0.023 1
1 236 . 4 1 1 A 19 19 GLU CB C 19 34.800 33.297 1.503 1
1 238 . 4 1 1 A 19 19 GLU N N 19 122.900 127.509 -4.609 1
1 239 . 4 1 1 A 20 20 GLU H H 20 8.920 9.382 -0.462 1
1 240 . 4 1 1 A 20 20 GLU HA H 20 4.740 4.805 -0.065 1
1 245 . 4 1 1 A 20 20 GLU CA C 20 55.100 55.188 -0.088 1
1 246 . 4 1 1 A 20 20 GLU CB C 20 33.800 30.754 3.046 1
1 248 . 4 1 1 A 20 20 GLU N N 20 123.300 126.064 -2.764 1
1 249 . 4 1 1 A 21 21 SER H H 21 9.070 8.806 0.264 1
1 250 . 4 1 1 A 21 21 SER HA H 21 4.430 4.505 -0.075 1
1 253 . 4 1 1 A 21 21 SER CA C 21 59.300 59.133 0.167 1
1 254 . 4 1 1 A 21 21 SER CB C 21 65.000 63.797 1.203 1
1 255 . 4 1 1 A 21 21 SER N N 21 114.800 120.948 -6.148 1
1 256 . 4 1 1 A 22 22 GLU H H 22 7.670 7.924 -0.254 1
1 257 . 4 1 1 A 22 22 GLU HA H 22 4.500 4.443 0.057 1
1 262 . 4 1 1 A 22 22 GLU CA C 22 53.100 56.633 -3.533 1
1 263 . 4 1 1 A 22 22 GLU CB C 22 31.750 30.668 1.082 1
1 265 . 4 1 1 A 22 22 GLU N N 22 119.913 118.417 1.496 1
1 266 . 4 1 1 A 23 23 PRO HA H 23 4.636 4.453 0.183 1
1 273 . 4 1 1 A 23 23 PRO CA C 23 64.200 64.202 -0.002 1
1 274 . 4 1 1 A 23 23 PRO CB C 23 34.200 31.862 2.338 1
1 277 . 4 1 1 A 24 24 LYS H H 24 7.370 7.463 -0.093 1
1 278 . 4 1 1 A 24 24 LYS HA H 24 4.480 4.629 -0.149 1
1 287 . 4 1 1 A 24 24 LYS CA C 24 54.200 54.928 -0.728 1
1 288 . 4 1 1 A 24 24 LYS CB C 24 36.400 36.301 0.099 1
1 292 . 4 1 1 A 24 24 LYS N N 24 119.400 117.151 2.249 1
1 293 . 4 1 1 A 25 25 ARG H H 25 8.730 8.404 0.326 1
1 294 . 4 1 1 A 25 25 ARG HA H 25 4.470 4.428 0.042 1
1 302 . 4 1 1 A 25 25 ARG CA C 25 57.000 55.200 1.800 1
1 303 . 4 1 1 A 25 25 ARG CB C 25 28.900 29.359 -0.459 1
1 306 . 4 1 1 A 25 25 ARG N N 25 121.900 121.118 0.782 1
1 308 . 4 1 1 A 26 26 LYS H H 26 8.220 8.997 -0.777 1
1 309 . 4 1 1 A 26 26 LYS HA H 26 5.270 5.098 0.172 1
1 318 . 4 1 1 A 26 26 LYS CA C 26 55.000 54.843 0.157 1
1 319 . 4 1 1 A 26 26 LYS CB C 26 36.900 33.823 3.077 1
1 323 . 4 1 1 A 26 26 LYS N N 26 124.500 125.761 -1.261 1
1 324 . 4 1 1 A 27 27 ILE H H 27 9.100 8.635 0.465 1
1 325 . 4 1 1 A 27 27 ILE HA H 27 5.320 4.687 0.633 1
1 335 . 4 1 1 A 27 27 ILE CA C 27 59.000 60.189 -1.189 1
1 336 . 4 1 1 A 27 27 ILE CB C 27 42.480 40.516 1.964 1
1 340 . 4 1 1 A 27 27 ILE N N 27 116.400 128.272 -11.872 1
1 341 . 4 1 1 A 28 28 ALA H H 28 8.730 9.351 -0.621 1
1 342 . 4 1 1 A 28 28 ALA HA H 28 5.460 5.105 0.355 1
1 346 . 4 1 1 A 28 28 ALA CA C 28 50.600 50.225 0.375 1
1 347 . 4 1 1 A 28 28 ALA CB C 28 21.960 20.050 1.910 1
1 348 . 4 1 1 A 28 28 ALA N N 28 124.900 132.793 -7.893 1
1 349 . 4 1 1 A 29 29 PHE H H 29 8.750 8.101 0.649 1
1 350 . 4 1 1 A 29 29 PHE HA H 29 5.420 5.621 -0.201 1
1 355 . 4 1 1 A 29 29 PHE CA C 29 55.680 55.627 0.053 1
1 356 . 4 1 1 A 29 29 PHE CB C 29 43.100 41.159 1.941 1
1 359 . 4 1 1 A 29 29 PHE N N 29 118.800 121.319 -2.519 1
1 360 . 4 1 1 A 30 30 THR H H 30 7.980 9.187 -1.207 1
1 361 . 4 1 1 A 30 30 THR HA H 30 5.690 5.337 0.353 1
1 366 . 4 1 1 A 30 30 THR CA C 30 59.900 62.630 -2.730 1
1 367 . 4 1 1 A 30 30 THR CB C 30 71.130 69.440 1.690 1
1 369 . 4 1 1 A 30 30 THR N N 30 114.100 119.042 -4.942 1
1 370 . 4 1 1 A 31 31 LEU H H 31 9.360 9.119 0.241 1
1 371 . 4 1 1 A 31 31 LEU HA H 31 5.020 5.030 -0.010 1
1 381 . 4 1 1 A 31 31 LEU CA C 31 52.990 54.423 -1.433 1
1 382 . 4 1 1 A 31 31 LEU CB C 31 45.400 44.631 0.769 1
1 386 . 4 1 1 A 31 31 LEU N N 31 125.300 129.923 -4.623 1
1 387 . 4 1 1 A 32 32 ASN H H 32 9.160 8.903 0.257 1
1 388 . 4 1 1 A 32 32 ASN HA H 32 5.210 5.043 0.167 1
1 393 . 4 1 1 A 32 32 ASN CA C 32 52.660 52.778 -0.118 1
1 394 . 4 1 1 A 32 32 ASN CB C 32 38.600 38.861 -0.261 1
1 395 . 4 1 1 A 32 32 ASN N N 32 123.600 125.238 -1.638 1
1 397 . 4 1 1 A 33 33 VAL H H 33 8.880 9.442 -0.562 1
1 398 . 4 1 1 A 33 33 VAL HA H 33 4.080 4.583 -0.503 1
1 406 . 4 1 1 A 33 33 VAL CA C 33 61.940 61.615 0.325 1
1 407 . 4 1 1 A 33 33 VAL CB C 33 34.600 32.322 2.278 1
1 410 . 4 1 1 A 33 33 VAL N N 33 124.500 126.955 -2.455 1
1 411 . 4 1 1 A 34 34 THR H H 34 7.650 8.832 -1.182 1
1 412 . 4 1 1 A 34 34 THR HA H 34 5.130 4.847 0.283 1
1 417 . 4 1 1 A 34 34 THR CA C 34 59.200 60.403 -1.203 1
1 418 . 4 1 1 A 34 34 THR CB C 34 72.830 71.628 1.202 1
1 420 . 4 1 1 A 34 34 THR N N 34 114.300 120.419 -6.119 1
1 421 . 4 1 1 A 35 35 SER H H 35 9.330 8.961 0.369 1
1 422 . 4 1 1 A 35 35 SER HA H 35 4.020 4.290 -0.270 1
1 425 . 4 1 1 A 35 35 SER CA C 35 62.000 60.774 1.226 1
1 426 . 4 1 1 A 35 35 SER CB C 35 62.400 62.974 -0.574 1
1 427 . 4 1 1 A 35 35 SER N N 35 116.200 116.483 -0.283 1
1 428 . 4 1 1 A 36 36 GLU H H 36 8.360 7.495 0.865 1
1 429 . 4 1 1 A 36 36 GLU HA H 36 4.330 4.362 -0.032 1
1 434 . 4 1 1 A 36 36 GLU CA C 36 58.900 57.652 1.248 1
1 435 . 4 1 1 A 36 36 GLU CB C 36 30.200 30.708 -0.508 1
1 437 . 4 1 1 A 36 36 GLU N N 36 119.200 120.055 -0.855 1
1 438 . 4 1 1 A 37 37 THR H H 37 7.580 7.941 -0.361 1
1 439 . 4 1 1 A 37 37 THR HA H 37 4.650 4.686 -0.036 1
1 444 . 4 1 1 A 37 37 THR CA C 37 61.620 60.975 0.645 1
1 445 . 4 1 1 A 37 37 THR CB C 37 70.630 70.529 0.101 1
1 447 . 4 1 1 A 37 37 THR N N 37 108.800 114.863 -6.063 1
1 448 . 4 1 1 A 38 38 TYR H H 38 7.990 8.675 -0.685 1
1 449 . 4 1 1 A 38 38 TYR HA H 38 3.890 4.456 -0.566 1
1 456 . 4 1 1 A 38 38 TYR CA C 38 61.980 59.473 2.507 1
1 457 . 4 1 1 A 38 38 TYR CB C 38 38.600 37.487 1.113 1
1 462 . 4 1 1 A 38 38 TYR N N 38 121.700 120.469 1.231 1
1 463 . 4 1 1 A 39 39 HIS H H 39 8.770 7.883 0.887 1
1 464 . 4 1 1 A 39 39 HIS HA H 39 3.950 3.512 0.438 1
1 468 . 4 1 1 A 39 39 HIS CA C 39 60.450 59.686 0.764 1
1 469 . 4 1 1 A 39 39 HIS CB C 39 28.350 29.344 -0.994 1
1 471 . 4 1 1 A 39 39 HIS N N 39 116.400 121.225 -4.825 1
1 472 . 4 1 1 A 40 40 ASP H H 40 8.180 8.272 -0.092 1
1 473 . 4 1 1 A 40 40 ASP HA H 40 4.280 4.205 0.075 1
1 476 . 4 1 1 A 40 40 ASP CA C 40 57.230 57.451 -0.221 1
1 477 . 4 1 1 A 40 40 ASP CB C 40 39.980 41.019 -1.039 1
1 478 . 4 1 1 A 40 40 ASP N N 40 117.200 118.032 -0.832 1
1 479 . 4 1 1 A 41 41 ILE H H 41 7.700 7.785 -0.085 1
1 480 . 4 1 1 A 41 41 ILE HA H 41 3.740 3.707 0.033 1
1 490 . 4 1 1 A 41 41 ILE CA C 41 63.400 63.800 -0.400 1
1 491 . 4 1 1 A 41 41 ILE CB C 41 37.000 36.555 0.445 1
1 495 . 4 1 1 A 41 41 ILE N N 41 120.600 118.911 1.689 1
1 496 . 4 1 1 A 42 42 ALA H H 42 8.630 7.925 0.705 1
1 497 . 4 1 1 A 42 42 ALA HA H 42 3.790 4.275 -0.485 1
1 501 . 4 1 1 A 42 42 ALA CA C 42 55.780 54.823 0.957 1
1 502 . 4 1 1 A 42 42 ALA CB C 42 17.400 18.169 -0.769 1
1 503 . 4 1 1 A 42 42 ALA N N 42 122.900 124.925 -2.025 1
1 504 . 4 1 1 A 43 43 VAL H H 43 7.650 7.052 0.598 1
1 505 . 4 1 1 A 43 43 VAL HA H 43 3.390 3.711 -0.321 1
1 513 . 4 1 1 A 43 43 VAL CA C 43 65.700 65.785 -0.085 1
1 514 . 4 1 1 A 43 43 VAL CB C 43 31.740 32.064 -0.324 1
1 517 . 4 1 1 A 43 43 VAL N N 43 114.600 117.236 -2.636 1
1 518 . 4 1 1 A 44 44 LEU H H 44 7.250 7.391 -0.141 1
1 519 . 4 1 1 A 44 44 LEU HA H 44 4.300 4.322 -0.022 1
1 529 . 4 1 1 A 44 44 LEU CA C 44 57.900 54.134 3.766 1
1 530 . 4 1 1 A 44 44 LEU CB C 44 42.250 40.807 1.443 1
1 534 . 4 1 1 A 44 44 LEU N N 44 122.800 121.571 1.229 1
1 535 . 4 1 1 A 45 45 LEU H H 45 8.060 8.218 -0.158 1
1 536 . 4 1 1 A 45 45 LEU HA H 45 4.430 4.907 -0.477 1
1 546 . 4 1 1 A 45 45 LEU CA C 45 55.200 53.213 1.987 1
1 547 . 4 1 1 A 45 45 LEU CB C 45 41.600 42.614 -1.014 1
1 551 . 4 1 1 A 46 46 TYR H H 46 8.040 8.557 -0.517 1
1 552 . 4 1 1 A 46 46 TYR HA H 46 5.380 4.601 0.779 1
1 559 . 4 1 1 A 46 46 TYR CA C 46 56.900 58.984 -2.084 1
1 560 . 4 1 1 A 46 46 TYR CB C 46 40.500 36.111 4.389 1
1 565 . 4 1 1 A 46 46 TYR N N 46 122.700 124.701 -2.001 1
1 566 . 4 1 1 A 47 47 GLU HA H 47 4.000 4.292 -0.292 1
1 571 . 4 1 1 A 47 47 GLU CA C 47 57.700 55.791 1.909 1
1 572 . 4 1 1 A 47 47 GLU CB C 47 29.800 30.342 -0.542 1
1 574 . 4 1 1 A 48 48 LYS HA H 48 4.660 4.125 0.535 1
1 583 . 4 1 1 A 48 48 LYS CA C 48 57.450 58.938 -1.488 1
1 584 . 4 1 1 A 48 48 LYS CB C 48 36.800 32.209 4.591 1
1 588 . 4 1 1 A 49 49 THR H H 49 7.540 7.873 -0.333 1
1 589 . 4 1 1 A 49 49 THR HA H 49 4.830 4.894 -0.064 1
1 594 . 4 1 1 A 49 49 THR CA C 49 60.360 60.512 -0.152 1
1 595 . 4 1 1 A 49 49 THR CB C 49 70.850 71.286 -0.436 1
1 597 . 4 1 1 A 49 49 THR N N 49 115.800 109.951 5.849 1
1 598 . 4 1 1 A 50 50 PHE H H 50 9.030 9.449 -0.419 1
1 599 . 4 1 1 A 50 50 PHE HA H 50 5.150 5.158 -0.008 1
1 606 . 4 1 1 A 50 50 PHE CA C 50 55.680 56.413 -0.733 1
1 607 . 4 1 1 A 50 50 PHE CB C 50 44.220 41.068 3.152 1
1 612 . 4 1 1 A 50 50 PHE N N 50 118.300 122.820 -4.520 1
1 613 . 4 1 1 A 51 51 ASN H H 51 8.810 8.897 -0.087 1
1 614 . 4 1 1 A 51 51 ASN HA H 51 4.920 4.817 0.103 1
1 619 . 4 1 1 A 51 51 ASN CA C 51 53.960 52.061 1.899 1
1 620 . 4 1 1 A 51 51 ASN CB C 51 37.900 37.841 0.059 1
1 621 . 4 1 1 A 51 51 ASN N N 51 121.100 123.840 -2.740 1
1 623 . 4 1 1 A 52 52 VAL H H 52 9.140 8.713 0.427 1
1 624 . 4 1 1 A 52 52 VAL HA H 52 4.370 4.404 -0.034 1
1 632 . 4 1 1 A 52 52 VAL CA C 52 61.660 62.540 -0.880 1
1 633 . 4 1 1 A 52 52 VAL CB C 52 32.590 31.705 0.885 1
1 636 . 4 1 1 A 52 52 VAL N N 52 129.300 125.525 3.775 1
1 637 . 4 1 1 A 53 53 GLU H H 53 9.020 9.267 -0.247 1
1 638 . 4 1 1 A 53 53 GLU HA H 53 5.090 5.268 -0.178 1
1 643 . 4 1 1 A 53 53 GLU CA C 53 55.500 54.979 0.521 1
1 644 . 4 1 1 A 53 53 GLU CB C 53 31.940 31.590 0.350 1
1 646 . 4 1 1 A 53 53 GLU N N 53 125.400 127.639 -2.239 1
1 647 . 4 1 1 A 54 54 VAL H H 54 8.840 8.915 -0.075 1
1 648 . 4 1 1 A 54 54 VAL HA H 54 4.680 4.626 0.054 1
1 656 . 4 1 1 A 54 54 VAL CA C 54 58.900 58.707 0.193 1
1 657 . 4 1 1 A 54 54 VAL CB C 54 31.900 33.767 -1.867 1
1 660 . 4 1 1 A 54 54 VAL N N 54 123.100 123.723 -0.623 1
1 661 . 4 1 1 A 55 55 PRO HA H 55 4.480 4.315 0.165 1
1 668 . 4 1 1 A 55 55 PRO CA C 55 65.720 64.875 0.845 1
1 669 . 4 1 1 A 55 55 PRO CB C 55 32.040 32.123 -0.083 1
1 672 . 4 1 1 A 56 56 GLU H H 56 10.050 8.287 1.763 1
1 673 . 4 1 1 A 56 56 GLU HA H 56 4.145 4.103 0.042 1
1 678 . 4 1 1 A 56 56 GLU CA C 56 58.580 59.582 -1.002 1
1 679 . 4 1 1 A 56 56 GLU CB C 56 30.000 29.412 0.588 1
1 681 . 4 1 1 A 56 56 GLU N N 56 118.000 117.963 0.037 1
1 682 . 4 1 1 A 57 57 ARG H H 57 7.550 7.764 -0.214 1
1 683 . 4 1 1 A 57 57 ARG HA H 57 4.480 4.396 0.084 1
1 691 . 4 1 1 A 57 57 ARG CA C 57 52.560 55.986 -3.426 1
1 692 . 4 1 1 A 57 57 ARG CB C 57 29.990 30.495 -0.505 1
1 695 . 4 1 1 A 57 57 ARG N N 57 116.400 116.354 0.046 1
1 697 . 4 1 1 A 58 58 ASP H H 58 7.920 7.858 0.062 1
1 698 . 4 1 1 A 58 58 ASP HA H 58 4.250 4.301 -0.051 1
1 701 . 4 1 1 A 58 58 ASP CA C 58 55.420 54.885 0.535 1
1 702 . 4 1 1 A 58 58 ASP CB C 58 39.860 39.350 0.510 1
1 703 . 4 1 1 A 58 58 ASP N N 58 118.400 119.465 -1.065 1
1 704 . 4 1 1 A 59 59 LEU H H 59 6.930 7.899 -0.969 1
1 705 . 4 1 1 A 59 59 LEU HA H 59 4.770 4.795 -0.025 1
1 715 . 4 1 1 A 59 59 LEU CA C 59 53.830 54.630 -0.800 1
1 716 . 4 1 1 A 59 59 LEU CB C 59 45.800 45.603 0.197 1
1 720 . 4 1 1 A 59 59 LEU N N 59 116.500 121.035 -4.535 1
1 721 . 4 1 1 A 60 60 ALA H H 60 8.690 8.919 -0.229 1
1 722 . 4 1 1 A 60 60 ALA HA H 60 5.353 5.037 0.316 1
1 726 . 4 1 1 A 60 60 ALA CA C 60 52.020 50.648 1.372 1
1 727 . 4 1 1 A 60 60 ALA CB C 60 21.060 19.773 1.287 1
1 728 . 4 1 1 A 60 60 ALA N N 60 130.000 128.406 1.594 1
1 729 . 4 1 1 A 61 61 PHE H H 61 8.470 9.210 -0.740 1
1 730 . 4 1 1 A 61 61 PHE HA H 61 4.933 5.229 -0.296 1
1 737 . 4 1 1 A 61 61 PHE CA C 61 56.500 56.962 -0.462 1
1 738 . 4 1 1 A 61 61 PHE CB C 61 39.720 42.696 -2.976 1
1 743 . 4 1 1 A 61 61 PHE N N 61 117.500 125.177 -7.677 1
1 744 . 4 1 1 A 62 62 ARG H H 62 9.270 8.651 0.619 1
1 745 . 4 1 1 A 62 62 ARG HA H 62 5.290 4.816 0.474 1
1 753 . 4 1 1 A 62 62 ARG CA C 62 54.950 55.168 -0.218 1
1 754 . 4 1 1 A 62 62 ARG CB C 62 30.800 31.289 -0.489 1
1 757 . 4 1 1 A 62 62 ARG N N 62 122.500 128.356 -5.856 1
1 759 . 4 1 1 A 63 63 GLY H H 63 9.370 9.010 0.360 1
1 760 . 4 1 1 A 63 63 GLY HA2 H 63 5.440 3.853 1.587 1
1 761 . 4 1 1 A 63 63 GLY HA3 H 63 3.460 4.168 -0.708 1
1 762 . 4 1 1 A 63 63 GLY CA C 63 45.000 43.951 1.049 1
1 763 . 4 1 1 A 63 63 GLY N N 63 112.700 113.107 -0.407 1
1 764 . 4 1 1 A 64 64 GLU H H 64 9.090 8.669 0.421 1
1 765 . 4 1 1 A 64 64 GLU HA H 64 5.410 4.963 0.447 1
1 770 . 4 1 1 A 64 64 GLU CA C 64 53.160 55.589 -2.429 1
1 771 . 4 1 1 A 64 64 GLU CB C 64 33.500 31.560 1.940 1
1 773 . 4 1 1 A 64 64 GLU N N 64 118.400 118.772 -0.372 1
1 774 . 4 1 1 A 65 65 MET H H 65 9.320 8.740 0.580 1
1 775 . 4 1 1 A 65 65 MET HA H 65 5.070 4.596 0.474 1
1 783 . 4 1 1 A 65 65 MET CA C 65 56.700 54.582 2.118 1
1 784 . 4 1 1 A 65 65 MET CB C 65 34.500 33.698 0.802 1
1 787 . 4 1 1 A 65 65 MET N N 65 124.900 122.836 2.064 1
1 788 . 4 1 1 A 66 66 THR H H 66 8.970 8.607 0.363 1
1 789 . 4 1 1 A 66 66 THR HA H 66 4.480 4.059 0.421 1
1 794 . 4 1 1 A 66 66 THR CA C 66 61.970 62.950 -0.980 1
1 795 . 4 1 1 A 66 66 THR CB C 66 69.160 69.170 -0.010 1
1 797 . 4 1 1 A 66 66 THR N N 66 120.300 117.326 2.974 1
1 798 . 4 1 1 A 67 67 ASN H H 67 7.850 7.794 0.056 1
1 799 . 4 1 1 A 67 67 ASN HA H 67 4.850 4.553 0.297 1
1 804 . 4 1 1 A 67 67 ASN CA C 67 54.240 52.552 1.688 1
1 805 . 4 1 1 A 67 67 ASN CB C 67 41.900 38.577 3.323 1
1 806 . 4 1 1 A 67 67 ASN N N 67 119.200 121.169 -1.969 1
1 808 . 4 1 1 A 68 68 TYR H H 68 8.720 8.640 0.080 1
1 809 . 4 1 1 A 68 68 TYR HA H 68 4.611 4.479 0.132 1
1 812 . 4 1 1 A 68 68 TYR CA C 68 54.600 57.433 -2.833 1
1 813 . 4 1 1 A 68 68 TYR CB C 68 41.180 38.567 2.613 1
1 814 . 4 1 1 A 68 68 TYR N N 68 123.200 125.964 -2.764 1
1 815 . 4 1 1 A 69 69 SER H H 69 8.160 8.045 0.115 1
1 816 . 4 1 1 A 69 69 SER HA H 69 4.450 3.989 0.461 1
1 819 . 4 1 1 A 69 69 SER CA C 69 58.913 58.907 0.006 1
1 820 . 4 1 1 A 69 69 SER CB C 69 65.000 61.042 3.958 1
1 821 . 4 1 1 A 69 69 SER N N 69 115.000 114.230 0.770 1
1 822 . 4 1 1 A 70 70 THR H H 70 8.250 8.062 0.188 1
1 823 . 4 1 1 A 70 70 THR HA H 70 4.200 4.433 -0.233 1
1 828 . 4 1 1 A 70 70 THR CA C 70 62.200 62.973 -0.773 1
1 829 . 4 1 1 A 70 70 THR CB C 70 70.060 69.772 0.288 1
1 831 . 4 1 1 A 70 70 THR N N 70 111.000 117.171 -6.171 1
1 832 . 4 1 1 A 71 71 SER HA H 71 4.610 4.435 0.175 1
1 835 . 4 1 1 A 71 71 SER CA C 71 58.100 57.454 0.646 1
1 836 . 4 1 1 A 71 71 SER CB C 71 63.600 64.577 -0.977 1
1 837 . 4 1 1 A 72 72 LEU H H 72 8.290 8.219 0.071 1
1 838 . 4 1 1 A 72 72 LEU HA H 72 4.300 4.730 -0.430 1
1 847 . 4 1 1 A 72 72 LEU CA C 72 56.500 53.867 2.633 1
1 848 . 4 1 1 A 72 72 LEU CB C 72 40.600 42.456 -1.856 1
1 852 . 4 1 1 A 72 72 LEU N N 72 122.300 124.897 -2.597 1
1 853 . 4 1 1 A 73 73 THR H H 73 8.000 8.652 -0.652 1
1 854 . 4 1 1 A 73 73 THR HA H 73 5.110 4.246 0.864 1
1 859 . 4 1 1 A 73 73 THR CA C 73 59.300 61.769 -2.469 1
1 860 . 4 1 1 A 73 73 THR CB C 73 71.950 66.403 5.547 1
1 862 . 4 1 1 A 74 74 ASN H H 74 8.370 8.307 0.063 1
1 863 . 4 1 1 A 74 74 ASN HA H 74 4.660 5.385 -0.725 1
1 868 . 4 1 1 A 74 74 ASN CA C 74 52.780 53.252 -0.472 1
1 869 . 4 1 1 A 74 74 ASN CB C 74 38.360 42.130 -3.770 1
1 870 . 4 1 1 A 74 74 ASN N N 74 121.500 123.569 -2.069 1
1 872 . 4 1 1 A 75 75 LEU H H 75 8.020 8.806 -0.786 1
1 873 . 4 1 1 A 75 75 LEU HA H 75 3.970 4.536 -0.566 1
1 883 . 4 1 1 A 75 75 LEU CA C 75 55.500 53.283 2.217 1
1 884 . 4 1 1 A 75 75 LEU CB C 75 41.800 43.933 -2.133 1
1 888 . 4 1 1 A 75 75 LEU N N 75 123.200 126.817 -3.617 1
1 889 . 4 1 1 A 76 76 TYR H H 76 7.930 8.987 -1.057 1
1 890 . 4 1 1 A 76 76 TYR HA H 76 4.450 4.431 0.019 1
1 897 . 4 1 1 A 76 76 TYR CA C 76 58.000 59.659 -1.659 1
1 898 . 4 1 1 A 76 76 TYR CB C 76 37.700 38.091 -0.391 1
1 903 . 4 1 1 A 76 76 TYR N N 76 116.100 126.629 -10.529 1
1 904 . 4 1 1 A 77 77 GLU H H 77 7.410 8.492 -1.082 1
1 905 . 4 1 1 A 77 77 GLU HA H 77 4.650 4.593 0.057 1
1 910 . 4 1 1 A 77 77 GLU CA C 77 53.700 53.644 0.056 1
1 911 . 4 1 1 A 77 77 GLU CB C 77 30.200 30.654 -0.454 1
1 913 . 4 1 1 A 77 77 GLU N N 77 122.300 122.224 0.076 1
1 914 . 4 1 1 A 78 78 PRO HA H 78 4.340 4.816 -0.476 1
1 921 . 4 1 1 A 78 78 PRO CA C 78 64.000 62.107 1.893 1
1 922 . 4 1 1 A 78 78 PRO CB C 78 31.740 29.866 1.874 1
1 925 . 4 1 1 A 79 79 GLY H H 79 8.980 8.910 0.070 1
1 926 . 4 1 1 A 79 79 GLY HA2 H 79 3.822 4.095 -0.273 1
1 927 . 4 1 1 A 79 79 GLY HA3 H 79 4.090 4.107 -0.017 1
1 928 . 4 1 1 A 79 79 GLY CA C 79 45.570 44.043 1.527 1
1 929 . 4 1 1 A 79 79 GLY N N 79 112.300 110.078 2.222 1
1 930 . 4 1 1 A 80 80 ALA H H 80 7.670 8.069 -0.399 1
1 931 . 4 1 1 A 80 80 ALA HA H 80 4.300 4.307 -0.007 1
1 935 . 4 1 1 A 80 80 ALA CA C 80 52.880 52.330 0.550 1
1 936 . 4 1 1 A 80 80 ALA CB C 80 20.670 20.231 0.439 1
1 937 . 4 1 1 A 80 80 ALA N N 80 123.200 121.846 1.354 1
1 938 . 4 1 1 A 81 81 VAL H H 81 8.280 7.560 0.720 1
1 939 . 4 1 1 A 81 81 VAL HA H 81 4.410 4.091 0.319 1
1 947 . 4 1 1 A 81 81 VAL CA C 81 61.540 62.677 -1.137 1
1 948 . 4 1 1 A 81 81 VAL CB C 81 34.000 32.778 1.222 1
1 951 . 4 1 1 A 82 82 SER H H 82 8.970 8.491 0.479 1
1 952 . 4 1 1 A 82 82 SER HA H 82 4.685 4.690 -0.005 1
1 955 . 4 1 1 A 82 82 SER CA C 82 57.180 59.051 -1.871 1
1 956 . 4 1 1 A 82 82 SER CB C 82 65.200 63.804 1.396 1
1 957 . 4 1 1 A 82 82 SER N N 82 122.000 122.897 -0.897 1
1 958 . 4 1 1 A 83 83 GLU H H 83 8.360 8.767 -0.407 1
1 959 . 4 1 1 A 83 83 GLU HA H 83 4.500 5.062 -0.562 1
1 964 . 4 1 1 A 83 83 GLU CA C 83 53.020 55.362 -2.342 1
1 965 . 4 1 1 A 83 83 GLU CB C 83 31.800 30.453 1.347 1
1 967 . 4 1 1 A 83 83 GLU N N 83 122.800 125.378 -2.578 1
1 968 . 4 1 1 A 84 84 PHE H H 84 9.160 9.273 -0.113 1
1 969 . 4 1 1 A 84 84 PHE HA H 84 4.920 4.597 0.323 1
1 977 . 4 1 1 A 84 84 PHE CA C 84 54.840 59.665 -4.825 1
1 978 . 4 1 1 A 84 84 PHE CB C 84 40.690 39.853 0.837 1
1 984 . 4 1 1 A 84 84 PHE N N 84 123.800 125.598 -1.798 1
1 985 . 4 1 1 A 85 85 TYR H H 85 8.810 8.529 0.281 1
1 986 . 4 1 1 A 85 85 TYR HA H 85 5.050 4.949 0.101 1
1 993 . 4 1 1 A 85 85 TYR CA C 85 56.190 56.636 -0.446 1
1 994 . 4 1 1 A 85 85 TYR CB C 85 37.800 39.685 -1.885 1
1 999 . 4 1 1 A 85 85 TYR N N 85 123.600 125.233 -1.633 1
1 1000 . 4 1 1 A 86 86 ILE H H 86 8.340 8.696 -0.356 1
1 1001 . 4 1 1 A 86 86 ILE HA H 86 4.520 4.304 0.216 1
1 1011 . 4 1 1 A 86 86 ILE CA C 86 59.340 60.004 -0.664 1
1 1012 . 4 1 1 A 86 86 ILE CB C 86 40.300 38.513 1.787 1
1 1016 . 4 1 1 A 86 86 ILE N N 86 126.200 129.069 -2.869 1
1 1017 . 4 1 1 A 87 87 GLU H H 87 8.200 8.670 -0.470 1
1 1018 . 4 1 1 A 87 87 GLU HA H 87 5.330 4.806 0.524 1
1 1023 . 4 1 1 A 87 87 GLU CA C 87 54.500 54.672 -0.172 1
1 1024 . 4 1 1 A 87 87 GLU CB C 87 34.100 31.515 2.585 1
1 1026 . 4 1 1 A 87 87 GLU N N 87 124.600 127.781 -3.181 1
1 1027 . 4 1 1 A 88 88 ILE H H 88 9.250 9.389 -0.139 1
1 1028 . 4 1 1 A 88 88 ILE HA H 88 5.080 4.802 0.278 1
1 1038 . 4 1 1 A 88 88 ILE CA C 88 59.900 59.752 0.148 1
1 1039 . 4 1 1 A 88 88 ILE CB C 88 42.100 41.056 1.044 1
1 1043 . 4 1 1 A 88 88 ILE N N 88 124.900 127.870 -2.970 1
1 1044 . 4 1 1 A 89 89 THR H H 89 9.020 8.810 0.210 1
1 1045 . 4 1 1 A 89 89 THR HA H 89 4.960 4.735 0.225 1
1 1050 . 4 1 1 A 89 89 THR CA C 89 61.600 61.137 0.463 1
1 1051 . 4 1 1 A 89 89 THR CB C 89 70.000 72.116 -2.116 1
1 1053 . 4 1 1 A 89 89 THR N N 89 122.900 121.321 1.579 1
1 1054 . 4 1 1 A 90 90 GLU H H 90 8.910 8.299 0.611 1
1 1055 . 4 1 1 A 90 90 GLU HA H 90 4.730 4.748 -0.018 1
1 1060 . 4 1 1 A 90 90 GLU CA C 90 57.300 57.270 0.030 1
1 1061 . 4 1 1 A 90 90 GLU CB C 90 30.570 29.989 0.581 1
1 1063 . 4 1 1 A 90 90 GLU N N 90 128.600 124.622 3.978 1
1 1064 . 4 1 1 A 91 91 ILE H H 91 8.550 8.803 -0.253 1
1 1065 . 4 1 1 A 91 91 ILE HA H 91 4.230 4.234 -0.004 1
1 1075 . 4 1 1 A 91 91 ILE CA C 91 61.400 62.452 -1.052 1
1 1076 . 4 1 1 A 91 91 ILE CB C 91 39.800 38.782 1.018 1
1 1080 . 4 1 1 A 91 91 ILE N N 91 124.600 127.469 -2.869 1
1 1081 . 4 1 1 A 92 92 ASP H H 92 8.550 9.053 -0.503 1
1 1082 . 4 1 1 A 92 92 ASP HA H 92 4.612 4.971 -0.359 1
1 1085 . 4 1 1 A 92 92 ASP CA C 92 54.370 52.873 1.497 1
1 1086 . 4 1 1 A 92 92 ASP CB C 92 41.570 43.687 -2.117 1
1 1087 . 4 1 1 A 92 92 ASP N N 92 124.100 128.283 -4.183 1
1 1088 . 4 1 1 A 93 93 LYS H H 93 8.530 8.362 0.168 1
1 1089 . 4 1 1 A 93 93 LYS HA H 93 4.240 4.769 -0.529 1
1 1098 . 4 1 1 A 93 93 LYS CA C 93 57.100 55.247 1.853 1
1 1099 . 4 1 1 A 93 93 LYS CB C 93 32.900 32.942 -0.042 1
1 1103 . 4 1 1 A 93 93 LYS N N 93 123.200 118.591 4.609 1
1 1104 . 4 1 1 A 94 94 ASN H H 94 8.590 8.348 0.242 1
1 1105 . 4 1 1 A 94 94 ASN HA H 94 4.680 4.662 0.018 1
1 1110 . 4 1 1 A 94 94 ASN CA C 94 53.300 55.109 -1.809 1
1 1111 . 4 1 1 A 94 94 ASN CB C 94 38.700 38.320 0.380 1
1 1112 . 4 1 1 A 94 94 ASN N N 94 118.800 117.958 0.842 1
1 1114 . 4 1 1 A 95 95 ALA H H 95 8.110 8.732 -0.622 1
1 1115 . 4 1 1 A 95 95 ALA HA H 95 4.270 4.591 -0.321 1
1 1119 . 4 1 1 A 95 95 ALA CA C 95 53.160 53.551 -0.391 1
1 1120 . 4 1 1 A 95 95 ALA CB C 95 19.100 20.993 -1.893 1
1 1121 . 4 1 1 A 95 95 ALA N N 95 123.990 119.574 4.416 1
1 1122 . 4 1 1 A 96 96 ASP H H 96 8.290 7.754 0.536 1
1 1123 . 4 1 1 A 96 96 ASP HA H 96 4.610 5.026 -0.416 1
1 1126 . 4 1 1 A 96 96 ASP CA C 96 54.400 53.331 1.069 1
1 1127 . 4 1 1 A 96 96 ASP CB C 96 41.300 43.960 -2.660 1
1 1128 . 4 1 1 A 96 96 ASP N N 96 119.100 115.188 3.912 1
1 1129 . 4 1 1 A 97 97 SER H H 97 8.150 8.789 -0.639 1
1 1130 . 4 1 1 A 97 97 SER HA H 97 4.380 4.812 -0.432 1
1 1133 . 4 1 1 A 97 97 SER CA C 97 58.600 57.490 1.110 1
1 1134 . 4 1 1 A 97 97 SER CB C 97 63.600 63.308 0.292 1
1 1135 . 4 1 1 A 97 97 SER N N 97 115.800 116.442 -0.642 1
1 1136 . 4 1 1 A 98 98 LEU H H 98 8.240 8.226 0.014 1
1 1137 . 4 1 1 A 98 98 LEU HA H 98 4.260 4.446 -0.186 1
1 1147 . 4 1 1 A 98 98 LEU CA C 98 55.650 54.211 1.439 1
1 1148 . 4 1 1 A 98 98 LEU CB C 98 42.190 40.834 1.356 1
1 1152 . 4 1 1 A 98 98 LEU N N 98 123.500 126.667 -3.167 1
1 1153 . 4 1 1 A 99 99 GLU H H 99 8.190 8.416 -0.226 1
1 1154 . 4 1 1 A 99 99 GLU HA H 99 4.130 4.484 -0.354 1
1 1159 . 4 1 1 A 99 99 GLU CA C 99 56.850 56.483 0.367 1
1 1160 . 4 1 1 A 99 99 GLU CB C 99 29.900 30.195 -0.295 1
1 1162 . 4 1 1 A 99 99 GLU N N 99 119.900 125.325 -5.425 1
1 1163 . 4 1 1 A 100 100 HIS H H 100 8.200 8.297 -0.097 1
1 1164 . 4 1 1 A 100 100 HIS HA H 100 4.560 4.920 -0.360 1
1 1168 . 4 1 1 A 100 100 HIS CA C 100 55.835 55.484 0.351 1
1 1169 . 4 1 1 A 100 100 HIS CB C 100 30.370 30.900 -0.530 1
1 13 . 5 1 1 A 2 2 VAL H H 2 8.440 8.738 -0.298 1
1 14 . 5 1 1 A 2 2 VAL HA H 2 3.790 4.379 -0.589 1
1 22 . 5 1 1 A 2 2 VAL CA C 2 62.900 61.831 1.069 1
1 23 . 5 1 1 A 2 2 VAL CB C 2 32.100 33.490 -1.390 1
1 26 . 5 1 1 A 2 2 VAL N N 2 125.800 122.915 2.885 1
1 27 . 5 1 1 A 3 3 LYS H H 3 8.980 8.463 0.517 1
1 28 . 5 1 1 A 3 3 LYS HA H 3 4.650 4.331 0.319 1
1 37 . 5 1 1 A 3 3 LYS CA C 3 57.100 57.565 -0.465 1
1 38 . 5 1 1 A 3 3 LYS CB C 3 36.400 33.507 2.893 1
1 42 . 5 1 1 A 3 3 LYS N N 3 124.600 129.499 -4.899 1
1 43 . 5 1 1 A 4 4 THR H H 4 7.740 8.189 -0.449 1
1 44 . 5 1 1 A 4 4 THR HA H 4 4.310 4.329 -0.019 1
1 49 . 5 1 1 A 4 4 THR CA C 4 64.990 61.516 3.474 1
1 50 . 5 1 1 A 4 4 THR CB C 4 68.700 67.079 1.621 1
1 52 . 5 1 1 A 4 4 THR N N 4 117.900 114.447 3.453 1
1 53 . 5 1 1 A 5 5 LEU H H 5 8.460 8.425 0.035 1
1 54 . 5 1 1 A 5 5 LEU HA H 5 4.850 5.011 -0.161 1
1 64 . 5 1 1 A 5 5 LEU CA C 5 52.700 53.790 -1.090 1
1 65 . 5 1 1 A 5 5 LEU CB C 5 45.190 44.690 0.500 1
1 69 . 5 1 1 A 5 5 LEU N N 5 130.600 128.426 2.174 1
1 70 . 5 1 1 A 6 6 ARG H H 6 9.050 8.711 0.339 1
1 71 . 5 1 1 A 6 6 ARG HA H 6 5.500 5.182 0.318 1
1 79 . 5 1 1 A 6 6 ARG CA C 6 54.350 54.411 -0.061 1
1 80 . 5 1 1 A 6 6 ARG CB C 6 33.080 33.489 -0.409 1
1 83 . 5 1 1 A 6 6 ARG N N 6 123.100 127.382 -4.282 1
1 85 . 5 1 1 A 7 7 LEU H H 7 8.290 8.588 -0.298 1
1 86 . 5 1 1 A 7 7 LEU HA H 7 4.870 4.702 0.168 1
1 96 . 5 1 1 A 7 7 LEU CA C 7 52.270 54.035 -1.765 1
1 97 . 5 1 1 A 7 7 LEU CB C 7 43.800 41.463 2.337 1
1 101 . 5 1 1 A 7 7 LEU N N 7 121.300 128.744 -7.444 1
1 102 . 5 1 1 A 8 8 ASN H H 8 9.220 9.007 0.213 1
1 103 . 5 1 1 A 8 8 ASN HA H 8 4.580 4.582 -0.002 1
1 108 . 5 1 1 A 8 8 ASN CA C 8 54.180 55.603 -1.423 1
1 109 . 5 1 1 A 8 8 ASN CB C 8 36.400 38.271 -1.871 1
1 110 . 5 1 1 A 8 8 ASN N N 8 121.700 123.356 -1.656 1
1 112 . 5 1 1 A 9 9 ASN HA H 9 4.180 4.882 -0.702 1
1 117 . 5 1 1 A 9 9 ASN CA C 9 54.800 52.992 1.808 1
1 118 . 5 1 1 A 9 9 ASN CB C 9 38.200 40.613 -2.413 1
1 120 . 5 1 1 A 10 10 VAL H H 10 8.220 7.322 0.898 1
1 121 . 5 1 1 A 10 10 VAL HA H 10 4.090 4.319 -0.229 1
1 129 . 5 1 1 A 10 10 VAL CA C 10 62.820 61.299 1.521 1
1 130 . 5 1 1 A 10 10 VAL CB C 10 32.450 32.964 -0.514 1
1 133 . 5 1 1 A 10 10 VAL N N 10 124.500 116.466 8.034 1
1 134 . 5 1 1 A 11 11 THR H H 11 8.496 8.687 -0.191 1
1 135 . 5 1 1 A 11 11 THR HA H 11 4.670 4.537 0.133 1
1 140 . 5 1 1 A 11 11 THR CA C 11 63.830 63.290 0.540 1
1 141 . 5 1 1 A 11 11 THR CB C 11 68.980 69.516 -0.536 1
1 143 . 5 1 1 A 11 11 THR N N 11 123.600 120.965 2.635 1
1 144 . 5 1 1 A 12 12 LEU H H 12 9.700 9.149 0.551 1
1 145 . 5 1 1 A 12 12 LEU HA H 12 4.670 5.000 -0.330 1
1 155 . 5 1 1 A 12 12 LEU CA C 12 53.480 53.633 -0.153 1
1 156 . 5 1 1 A 12 12 LEU CB C 12 46.060 46.216 -0.156 1
1 160 . 5 1 1 A 12 12 LEU N N 12 129.900 128.031 1.869 1
1 161 . 5 1 1 A 13 13 GLU H H 13 8.500 8.982 -0.482 1
1 162 . 5 1 1 A 13 13 GLU HA H 13 4.850 4.940 -0.090 1
1 167 . 5 1 1 A 13 13 GLU CA C 13 54.500 54.479 0.021 1
1 168 . 5 1 1 A 13 13 GLU CB C 13 31.600 33.172 -1.572 1
1 170 . 5 1 1 A 13 13 GLU N N 13 121.100 125.729 -4.629 1
1 171 . 5 1 1 A 14 14 MET H H 14 9.340 8.844 0.496 1
1 172 . 5 1 1 A 14 14 MET HA H 14 4.750 5.348 -0.598 1
1 180 . 5 1 1 A 14 14 MET CA C 14 55.380 53.394 1.986 1
1 181 . 5 1 1 A 14 14 MET CB C 14 33.823 36.734 -2.911 1
1 184 . 5 1 1 A 14 14 MET N N 14 124.300 122.479 1.821 1
1 185 . 5 1 1 A 15 15 ALA H H 15 9.040 8.594 0.446 1
1 186 . 5 1 1 A 15 15 ALA HA H 15 4.490 4.487 0.003 1
1 190 . 5 1 1 A 15 15 ALA CA C 15 52.570 53.306 -0.736 1
1 191 . 5 1 1 A 15 15 ALA CB C 15 19.870 21.537 -1.667 1
1 192 . 5 1 1 A 15 15 ALA N N 15 125.900 122.755 3.145 1
1 193 . 5 1 1 A 16 16 ALA H H 16 7.880 7.994 -0.114 1
1 194 . 5 1 1 A 16 16 ALA HA H 16 4.526 4.637 -0.111 1
1 198 . 5 1 1 A 16 16 ALA CA C 16 52.580 50.687 1.893 1
1 199 . 5 1 1 A 16 16 ALA CB C 16 21.400 19.413 1.987 1
1 200 . 5 1 1 A 16 16 ALA N N 16 119.400 120.017 -0.617 1
1 201 . 5 1 1 A 17 17 TYR H H 17 8.270 9.155 -0.885 1
1 202 . 5 1 1 A 17 17 TYR HA H 17 5.290 5.241 0.049 1
1 209 . 5 1 1 A 17 17 TYR CA C 17 59.160 56.571 2.589 1
1 210 . 5 1 1 A 17 17 TYR CB C 17 41.700 40.297 1.403 1
1 215 . 5 1 1 A 17 17 TYR N N 17 120.300 126.358 -6.058 1
1 216 . 5 1 1 A 18 18 GLN H H 18 8.610 8.849 -0.239 1
1 217 . 5 1 1 A 18 18 GLN HA H 18 4.350 4.999 -0.649 1
1 224 . 5 1 1 A 18 18 GLN CA C 18 54.920 54.171 0.749 1
1 225 . 5 1 1 A 18 18 GLN CB C 18 32.570 31.622 0.948 1
1 227 . 5 1 1 A 18 18 GLN N N 18 128.000 123.923 4.077 1
1 229 . 5 1 1 A 19 19 GLU H H 19 8.370 8.595 -0.225 1
1 230 . 5 1 1 A 19 19 GLU HA H 19 5.015 4.840 0.175 1
1 235 . 5 1 1 A 19 19 GLU CA C 19 54.700 54.796 -0.096 1
1 236 . 5 1 1 A 19 19 GLU CB C 19 34.800 33.353 1.447 1
1 238 . 5 1 1 A 19 19 GLU N N 19 122.900 121.067 1.833 1
1 239 . 5 1 1 A 20 20 GLU H H 20 8.920 9.094 -0.174 1
1 240 . 5 1 1 A 20 20 GLU HA H 20 4.740 4.551 0.189 1
1 245 . 5 1 1 A 20 20 GLU CA C 20 55.100 55.600 -0.500 1
1 246 . 5 1 1 A 20 20 GLU CB C 20 33.800 29.790 4.010 1
1 248 . 5 1 1 A 20 20 GLU N N 20 123.300 127.862 -4.562 1
1 249 . 5 1 1 A 21 21 SER H H 21 9.070 8.769 0.301 1
1 250 . 5 1 1 A 21 21 SER HA H 21 4.430 4.425 0.005 1
1 253 . 5 1 1 A 21 21 SER CA C 21 59.300 60.295 -0.995 1
1 254 . 5 1 1 A 21 21 SER CB C 21 65.000 63.644 1.356 1
1 255 . 5 1 1 A 21 21 SER N N 21 114.800 120.270 -5.470 1
1 256 . 5 1 1 A 22 22 GLU H H 22 7.670 8.054 -0.384 1
1 257 . 5 1 1 A 22 22 GLU HA H 22 4.500 4.524 -0.024 1
1 262 . 5 1 1 A 22 22 GLU CA C 22 53.100 55.790 -2.690 1
1 263 . 5 1 1 A 22 22 GLU CB C 22 31.750 30.925 0.825 1
1 265 . 5 1 1 A 22 22 GLU N N 22 119.913 116.449 3.464 1
1 266 . 5 1 1 A 23 23 PRO HA H 23 4.636 4.545 0.091 1
1 273 . 5 1 1 A 23 23 PRO CA C 23 64.200 64.272 -0.072 1
1 274 . 5 1 1 A 23 23 PRO CB C 23 34.200 32.234 1.966 1
1 277 . 5 1 1 A 24 24 LYS H H 24 7.370 7.497 -0.127 1
1 278 . 5 1 1 A 24 24 LYS HA H 24 4.480 4.602 -0.122 1
1 287 . 5 1 1 A 24 24 LYS CA C 24 54.200 55.967 -1.767 1
1 288 . 5 1 1 A 24 24 LYS CB C 24 36.400 36.226 0.174 1
1 292 . 5 1 1 A 24 24 LYS N N 24 119.400 115.846 3.554 1
1 293 . 5 1 1 A 25 25 ARG H H 25 8.730 9.058 -0.328 1
1 294 . 5 1 1 A 25 25 ARG HA H 25 4.470 4.720 -0.250 1
1 302 . 5 1 1 A 25 25 ARG CA C 25 57.000 55.837 1.163 1
1 303 . 5 1 1 A 25 25 ARG CB C 25 28.900 29.323 -0.423 1
1 306 . 5 1 1 A 25 25 ARG N N 25 121.900 125.096 -3.196 1
1 308 . 5 1 1 A 26 26 LYS H H 26 8.220 8.634 -0.414 1
1 309 . 5 1 1 A 26 26 LYS HA H 26 5.270 5.052 0.218 1
1 318 . 5 1 1 A 26 26 LYS CA C 26 55.000 54.747 0.253 1
1 319 . 5 1 1 A 26 26 LYS CB C 26 36.900 34.048 2.852 1
1 323 . 5 1 1 A 26 26 LYS N N 26 124.500 126.089 -1.589 1
1 324 . 5 1 1 A 27 27 ILE H H 27 9.100 8.648 0.452 1
1 325 . 5 1 1 A 27 27 ILE HA H 27 5.320 4.814 0.506 1
1 335 . 5 1 1 A 27 27 ILE CA C 27 59.000 59.852 -0.852 1
1 336 . 5 1 1 A 27 27 ILE CB C 27 42.480 39.513 2.967 1
1 340 . 5 1 1 A 27 27 ILE N N 27 116.400 122.991 -6.591 1
1 341 . 5 1 1 A 28 28 ALA H H 28 8.730 9.317 -0.587 1
1 342 . 5 1 1 A 28 28 ALA HA H 28 5.460 4.955 0.505 1
1 346 . 5 1 1 A 28 28 ALA CA C 28 50.600 50.235 0.365 1
1 347 . 5 1 1 A 28 28 ALA CB C 28 21.960 20.790 1.170 1
1 348 . 5 1 1 A 28 28 ALA N N 28 124.900 129.038 -4.138 1
1 349 . 5 1 1 A 29 29 PHE H H 29 8.750 8.066 0.684 1
1 350 . 5 1 1 A 29 29 PHE HA H 29 5.420 6.249 -0.829 1
1 355 . 5 1 1 A 29 29 PHE CA C 29 55.680 55.361 0.319 1
1 356 . 5 1 1 A 29 29 PHE CB C 29 43.100 42.726 0.374 1
1 359 . 5 1 1 A 29 29 PHE N N 29 118.800 119.504 -0.704 1
1 360 . 5 1 1 A 30 30 THR H H 30 7.980 9.309 -1.329 1
1 361 . 5 1 1 A 30 30 THR HA H 30 5.690 5.275 0.415 1
1 366 . 5 1 1 A 30 30 THR CA C 30 59.900 62.533 -2.633 1
1 367 . 5 1 1 A 30 30 THR CB C 30 71.130 69.171 1.959 1
1 369 . 5 1 1 A 30 30 THR N N 30 114.100 118.017 -3.917 1
1 370 . 5 1 1 A 31 31 LEU H H 31 9.360 9.519 -0.159 1
1 371 . 5 1 1 A 31 31 LEU HA H 31 5.020 5.059 -0.039 1
1 381 . 5 1 1 A 31 31 LEU CA C 31 52.990 54.187 -1.197 1
1 382 . 5 1 1 A 31 31 LEU CB C 31 45.400 44.295 1.105 1
1 386 . 5 1 1 A 31 31 LEU N N 31 125.300 129.607 -4.307 1
1 387 . 5 1 1 A 32 32 ASN H H 32 9.160 8.870 0.290 1
1 388 . 5 1 1 A 32 32 ASN HA H 32 5.210 5.081 0.129 1
1 393 . 5 1 1 A 32 32 ASN CA C 32 52.660 52.719 -0.059 1
1 394 . 5 1 1 A 32 32 ASN CB C 32 38.600 37.936 0.664 1
1 395 . 5 1 1 A 32 32 ASN N N 32 123.600 125.515 -1.915 1
1 397 . 5 1 1 A 33 33 VAL H H 33 8.880 8.963 -0.083 1
1 398 . 5 1 1 A 33 33 VAL HA H 33 4.080 4.230 -0.150 1
1 406 . 5 1 1 A 33 33 VAL CA C 33 61.940 63.269 -1.329 1
1 407 . 5 1 1 A 33 33 VAL CB C 33 34.600 31.363 3.237 1
1 410 . 5 1 1 A 33 33 VAL N N 33 124.500 125.498 -0.998 1
1 411 . 5 1 1 A 34 34 THR H H 34 7.650 8.466 -0.816 1
1 412 . 5 1 1 A 34 34 THR HA H 34 5.130 5.340 -0.210 1
1 417 . 5 1 1 A 34 34 THR CA C 34 59.200 59.449 -0.249 1
1 418 . 5 1 1 A 34 34 THR CB C 34 72.830 71.610 1.220 1
1 420 . 5 1 1 A 34 34 THR N N 34 114.300 117.376 -3.076 1
1 421 . 5 1 1 A 35 35 SER H H 35 9.330 9.224 0.106 1
1 422 . 5 1 1 A 35 35 SER HA H 35 4.020 4.403 -0.383 1
1 425 . 5 1 1 A 35 35 SER CA C 35 62.000 59.798 2.202 1
1 426 . 5 1 1 A 35 35 SER CB C 35 62.400 62.909 -0.509 1
1 427 . 5 1 1 A 35 35 SER N N 35 116.200 119.313 -3.113 1
1 428 . 5 1 1 A 36 36 GLU H H 36 8.360 8.132 0.228 1
1 429 . 5 1 1 A 36 36 GLU HA H 36 4.330 4.312 0.018 1
1 434 . 5 1 1 A 36 36 GLU CA C 36 58.900 58.588 0.312 1
1 435 . 5 1 1 A 36 36 GLU CB C 36 30.200 30.279 -0.079 1
1 437 . 5 1 1 A 36 36 GLU N N 36 119.200 120.819 -1.619 1
1 438 . 5 1 1 A 37 37 THR H H 37 7.580 7.929 -0.349 1
1 439 . 5 1 1 A 37 37 THR HA H 37 4.650 4.699 -0.049 1
1 444 . 5 1 1 A 37 37 THR CA C 37 61.620 61.098 0.522 1
1 445 . 5 1 1 A 37 37 THR CB C 37 70.630 70.439 0.191 1
1 447 . 5 1 1 A 37 37 THR N N 37 108.800 113.701 -4.901 1
1 448 . 5 1 1 A 38 38 TYR H H 38 7.990 8.632 -0.642 1
1 449 . 5 1 1 A 38 38 TYR HA H 38 3.890 4.443 -0.553 1
1 456 . 5 1 1 A 38 38 TYR CA C 38 61.980 59.978 2.002 1
1 457 . 5 1 1 A 38 38 TYR CB C 38 38.600 37.251 1.349 1
1 462 . 5 1 1 A 38 38 TYR N N 38 121.700 121.195 0.505 1
1 463 . 5 1 1 A 39 39 HIS H H 39 8.770 7.675 1.095 1
1 464 . 5 1 1 A 39 39 HIS HA H 39 3.950 3.752 0.198 1
1 468 . 5 1 1 A 39 39 HIS CA C 39 60.450 58.441 2.009 1
1 469 . 5 1 1 A 39 39 HIS CB C 39 28.350 29.511 -1.161 1
1 471 . 5 1 1 A 39 39 HIS N N 39 116.400 120.424 -4.024 1
1 472 . 5 1 1 A 40 40 ASP H H 40 8.180 7.870 0.310 1
1 473 . 5 1 1 A 40 40 ASP HA H 40 4.280 4.239 0.041 1
1 476 . 5 1 1 A 40 40 ASP CA C 40 57.230 57.021 0.209 1
1 477 . 5 1 1 A 40 40 ASP CB C 40 39.980 41.038 -1.058 1
1 478 . 5 1 1 A 40 40 ASP N N 40 117.200 118.739 -1.539 1
1 479 . 5 1 1 A 41 41 ILE H H 41 7.700 7.666 0.034 1
1 480 . 5 1 1 A 41 41 ILE HA H 41 3.740 3.860 -0.120 1
1 490 . 5 1 1 A 41 41 ILE CA C 41 63.400 63.658 -0.258 1
1 491 . 5 1 1 A 41 41 ILE CB C 41 37.000 37.459 -0.459 1
1 495 . 5 1 1 A 41 41 ILE N N 41 120.600 119.412 1.188 1
1 496 . 5 1 1 A 42 42 ALA H H 42 8.630 7.603 1.027 1
1 497 . 5 1 1 A 42 42 ALA HA H 42 3.790 4.319 -0.529 1
1 501 . 5 1 1 A 42 42 ALA CA C 42 55.780 53.594 2.186 1
1 502 . 5 1 1 A 42 42 ALA CB C 42 17.400 18.374 -0.974 1
1 503 . 5 1 1 A 42 42 ALA N N 42 122.900 123.846 -0.946 1
1 504 . 5 1 1 A 43 43 VAL H H 43 7.650 7.452 0.198 1
1 505 . 5 1 1 A 43 43 VAL HA H 43 3.390 4.030 -0.640 1
1 513 . 5 1 1 A 43 43 VAL CA C 43 65.700 64.003 1.697 1
1 514 . 5 1 1 A 43 43 VAL CB C 43 31.740 33.044 -1.304 1
1 517 . 5 1 1 A 43 43 VAL N N 43 114.600 115.910 -1.310 1
1 518 . 5 1 1 A 44 44 LEU H H 44 7.250 7.455 -0.205 1
1 519 . 5 1 1 A 44 44 LEU HA H 44 4.300 4.480 -0.180 1
1 529 . 5 1 1 A 44 44 LEU CA C 44 57.900 54.210 3.690 1
1 530 . 5 1 1 A 44 44 LEU CB C 44 42.250 40.404 1.846 1
1 534 . 5 1 1 A 44 44 LEU N N 44 122.800 120.083 2.717 1
1 535 . 5 1 1 A 45 45 LEU H H 45 8.060 8.663 -0.603 1
1 536 . 5 1 1 A 45 45 LEU HA H 45 4.430 4.617 -0.187 1
1 546 . 5 1 1 A 45 45 LEU CA C 45 55.200 53.110 2.090 1
1 547 . 5 1 1 A 45 45 LEU CB C 45 41.600 44.390 -2.790 1
1 551 . 5 1 1 A 46 46 TYR H H 46 8.040 9.389 -1.349 1
1 552 . 5 1 1 A 46 46 TYR HA H 46 5.380 4.421 0.959 1
1 559 . 5 1 1 A 46 46 TYR CA C 46 56.900 60.201 -3.301 1
1 560 . 5 1 1 A 46 46 TYR CB C 46 40.500 37.369 3.131 1
1 565 . 5 1 1 A 46 46 TYR N N 46 122.700 120.896 1.804 1
1 566 . 5 1 1 A 47 47 GLU HA H 47 4.000 4.074 -0.074 1
1 571 . 5 1 1 A 47 47 GLU CA C 47 57.700 58.580 -0.880 1
1 572 . 5 1 1 A 47 47 GLU CB C 47 29.800 28.172 1.628 1
1 574 . 5 1 1 A 48 48 LYS HA H 48 4.660 4.531 0.129 1
1 583 . 5 1 1 A 48 48 LYS CA C 48 57.450 56.984 0.466 1
1 584 . 5 1 1 A 48 48 LYS CB C 48 36.800 34.326 2.474 1
1 588 . 5 1 1 A 49 49 THR H H 49 7.540 7.530 0.010 1
1 589 . 5 1 1 A 49 49 THR HA H 49 4.830 4.525 0.305 1
1 594 . 5 1 1 A 49 49 THR CA C 49 60.360 61.128 -0.768 1
1 595 . 5 1 1 A 49 49 THR CB C 49 70.850 69.750 1.100 1
1 597 . 5 1 1 A 49 49 THR N N 49 115.800 111.725 4.075 1
1 598 . 5 1 1 A 50 50 PHE H H 50 9.030 9.255 -0.225 1
1 599 . 5 1 1 A 50 50 PHE HA H 50 5.150 5.024 0.126 1
1 606 . 5 1 1 A 50 50 PHE CA C 50 55.680 56.042 -0.362 1
1 607 . 5 1 1 A 50 50 PHE CB C 50 44.220 42.104 2.116 1
1 612 . 5 1 1 A 50 50 PHE N N 50 118.300 123.371 -5.071 1
1 613 . 5 1 1 A 51 51 ASN H H 51 8.810 8.808 0.002 1
1 614 . 5 1 1 A 51 51 ASN HA H 51 4.920 5.070 -0.150 1
1 619 . 5 1 1 A 51 51 ASN CA C 51 53.960 52.520 1.440 1
1 620 . 5 1 1 A 51 51 ASN CB C 51 37.900 38.635 -0.735 1
1 621 . 5 1 1 A 51 51 ASN N N 51 121.100 122.379 -1.279 1
1 623 . 5 1 1 A 52 52 VAL H H 52 9.140 9.109 0.031 1
1 624 . 5 1 1 A 52 52 VAL HA H 52 4.370 4.388 -0.018 1
1 632 . 5 1 1 A 52 52 VAL CA C 52 61.660 62.484 -0.824 1
1 633 . 5 1 1 A 52 52 VAL CB C 52 32.590 30.988 1.602 1
1 636 . 5 1 1 A 52 52 VAL N N 52 129.300 125.793 3.507 1
1 637 . 5 1 1 A 53 53 GLU H H 53 9.020 9.015 0.005 1
1 638 . 5 1 1 A 53 53 GLU HA H 53 5.090 5.240 -0.150 1
1 643 . 5 1 1 A 53 53 GLU CA C 53 55.500 55.209 0.291 1
1 644 . 5 1 1 A 53 53 GLU CB C 53 31.940 31.368 0.572 1
1 646 . 5 1 1 A 53 53 GLU N N 53 125.400 127.025 -1.625 1
1 647 . 5 1 1 A 54 54 VAL H H 54 8.840 8.998 -0.158 1
1 648 . 5 1 1 A 54 54 VAL HA H 54 4.680 4.592 0.088 1
1 656 . 5 1 1 A 54 54 VAL CA C 54 58.900 58.718 0.182 1
1 657 . 5 1 1 A 54 54 VAL CB C 54 31.900 33.334 -1.434 1
1 660 . 5 1 1 A 54 54 VAL N N 54 123.100 123.668 -0.568 1
1 661 . 5 1 1 A 55 55 PRO HA H 55 4.480 4.320 0.160 1
1 668 . 5 1 1 A 55 55 PRO CA C 55 65.720 64.738 0.982 1
1 669 . 5 1 1 A 55 55 PRO CB C 55 32.040 32.058 -0.018 1
1 672 . 5 1 1 A 56 56 GLU H H 56 10.050 8.663 1.387 1
1 673 . 5 1 1 A 56 56 GLU HA H 56 4.145 4.078 0.067 1
1 678 . 5 1 1 A 56 56 GLU CA C 56 58.580 59.217 -0.637 1
1 679 . 5 1 1 A 56 56 GLU CB C 56 30.000 28.985 1.015 1
1 681 . 5 1 1 A 56 56 GLU N N 56 118.000 117.220 0.780 1
1 682 . 5 1 1 A 57 57 ARG H H 57 7.550 7.537 0.013 1
1 683 . 5 1 1 A 57 57 ARG HA H 57 4.480 4.499 -0.019 1
1 691 . 5 1 1 A 57 57 ARG CA C 57 52.560 54.926 -2.366 1
1 692 . 5 1 1 A 57 57 ARG CB C 57 29.990 31.046 -1.056 1
1 695 . 5 1 1 A 57 57 ARG N N 57 116.400 116.985 -0.585 1
1 697 . 5 1 1 A 58 58 ASP H H 58 7.920 8.229 -0.309 1
1 698 . 5 1 1 A 58 58 ASP HA H 58 4.250 4.248 0.002 1
1 701 . 5 1 1 A 58 58 ASP CA C 58 55.420 55.406 0.014 1
1 702 . 5 1 1 A 58 58 ASP CB C 58 39.860 39.867 -0.007 1
1 703 . 5 1 1 A 58 58 ASP N N 58 118.400 118.610 -0.210 1
1 704 . 5 1 1 A 59 59 LEU H H 59 6.930 7.797 -0.867 1
1 705 . 5 1 1 A 59 59 LEU HA H 59 4.770 4.758 0.012 1
1 715 . 5 1 1 A 59 59 LEU CA C 59 53.830 53.753 0.077 1
1 716 . 5 1 1 A 59 59 LEU CB C 59 45.800 43.590 2.210 1
1 720 . 5 1 1 A 59 59 LEU N N 59 116.500 119.726 -3.226 1
1 721 . 5 1 1 A 60 60 ALA H H 60 8.690 8.816 -0.126 1
1 722 . 5 1 1 A 60 60 ALA HA H 60 5.353 4.885 0.468 1
1 726 . 5 1 1 A 60 60 ALA CA C 60 52.020 51.261 0.759 1
1 727 . 5 1 1 A 60 60 ALA CB C 60 21.060 19.949 1.111 1
1 728 . 5 1 1 A 60 60 ALA N N 60 130.000 124.992 5.008 1
1 729 . 5 1 1 A 61 61 PHE H H 61 8.470 9.074 -0.604 1
1 730 . 5 1 1 A 61 61 PHE HA H 61 4.933 5.226 -0.293 1
1 737 . 5 1 1 A 61 61 PHE CA C 61 56.500 56.815 -0.315 1
1 738 . 5 1 1 A 61 61 PHE CB C 61 39.720 42.640 -2.920 1
1 743 . 5 1 1 A 61 61 PHE N N 61 117.500 124.569 -7.069 1
1 744 . 5 1 1 A 62 62 ARG H H 62 9.270 8.303 0.967 1
1 745 . 5 1 1 A 62 62 ARG HA H 62 5.290 4.756 0.534 1
1 753 . 5 1 1 A 62 62 ARG CA C 62 54.950 55.433 -0.483 1
1 754 . 5 1 1 A 62 62 ARG CB C 62 30.800 30.909 -0.109 1
1 757 . 5 1 1 A 62 62 ARG N N 62 122.500 128.697 -6.197 1
1 759 . 5 1 1 A 63 63 GLY H H 63 9.370 9.209 0.161 1
1 760 . 5 1 1 A 63 63 GLY HA2 H 63 5.440 4.289 1.151 1
1 761 . 5 1 1 A 63 63 GLY HA3 H 63 3.460 4.331 -0.871 1
1 762 . 5 1 1 A 63 63 GLY CA C 63 45.000 44.630 0.370 1
1 763 . 5 1 1 A 63 63 GLY N N 63 112.700 113.486 -0.786 1
1 764 . 5 1 1 A 64 64 GLU H H 64 9.090 9.344 -0.254 1
1 765 . 5 1 1 A 64 64 GLU HA H 64 5.410 5.516 -0.106 1
1 770 . 5 1 1 A 64 64 GLU CA C 64 53.160 54.724 -1.564 1
1 771 . 5 1 1 A 64 64 GLU CB C 64 33.500 31.830 1.670 1
1 773 . 5 1 1 A 64 64 GLU N N 64 118.400 116.757 1.643 1
1 774 . 5 1 1 A 65 65 MET H H 65 9.320 9.342 -0.022 1
1 775 . 5 1 1 A 65 65 MET HA H 65 5.070 4.552 0.518 1
1 783 . 5 1 1 A 65 65 MET CA C 65 56.700 55.231 1.469 1
1 784 . 5 1 1 A 65 65 MET CB C 65 34.500 32.633 1.867 1
1 787 . 5 1 1 A 65 65 MET N N 65 124.900 123.048 1.852 1
1 788 . 5 1 1 A 66 66 THR H H 66 8.970 8.735 0.235 1
1 789 . 5 1 1 A 66 66 THR HA H 66 4.480 4.561 -0.081 1
1 794 . 5 1 1 A 66 66 THR CA C 66 61.970 61.311 0.659 1
1 795 . 5 1 1 A 66 66 THR CB C 66 69.160 69.316 -0.156 1
1 797 . 5 1 1 A 66 66 THR N N 66 120.300 113.788 6.512 1
1 798 . 5 1 1 A 67 67 ASN H H 67 7.850 7.718 0.132 1
1 799 . 5 1 1 A 67 67 ASN HA H 67 4.850 4.869 -0.019 1
1 804 . 5 1 1 A 67 67 ASN CA C 67 54.240 53.215 1.025 1
1 805 . 5 1 1 A 67 67 ASN CB C 67 41.900 39.472 2.428 1
1 806 . 5 1 1 A 67 67 ASN N N 67 119.200 121.726 -2.526 1
1 808 . 5 1 1 A 68 68 TYR H H 68 8.720 8.847 -0.127 1
1 809 . 5 1 1 A 68 68 TYR HA H 68 4.611 4.844 -0.233 1
1 812 . 5 1 1 A 68 68 TYR CA C 68 54.600 59.501 -4.901 1
1 813 . 5 1 1 A 68 68 TYR CB C 68 41.180 39.433 1.747 1
1 814 . 5 1 1 A 68 68 TYR N N 68 123.200 126.816 -3.616 1
1 815 . 5 1 1 A 69 69 SER H H 69 8.160 7.905 0.255 1
1 816 . 5 1 1 A 69 69 SER HA H 69 4.450 4.158 0.292 1
1 819 . 5 1 1 A 69 69 SER CA C 69 58.913 59.457 -0.544 1
1 820 . 5 1 1 A 69 69 SER CB C 69 65.000 62.308 2.692 1
1 821 . 5 1 1 A 69 69 SER N N 69 115.000 119.526 -4.526 1
1 822 . 5 1 1 A 70 70 THR H H 70 8.250 8.390 -0.140 1
1 823 . 5 1 1 A 70 70 THR HA H 70 4.200 4.515 -0.315 1
1 828 . 5 1 1 A 70 70 THR CA C 70 62.200 63.017 -0.817 1
1 829 . 5 1 1 A 70 70 THR CB C 70 70.060 71.107 -1.047 1
1 831 . 5 1 1 A 70 70 THR N N 70 111.000 120.989 -9.989 1
1 832 . 5 1 1 A 71 71 SER HA H 71 4.610 4.515 0.095 1
1 835 . 5 1 1 A 71 71 SER CA C 71 58.100 57.599 0.501 1
1 836 . 5 1 1 A 71 71 SER CB C 71 63.600 63.825 -0.225 1
1 837 . 5 1 1 A 72 72 LEU H H 72 8.290 8.248 0.042 1
1 838 . 5 1 1 A 72 72 LEU HA H 72 4.300 4.550 -0.250 1
1 847 . 5 1 1 A 72 72 LEU CA C 72 56.500 54.273 2.227 1
1 848 . 5 1 1 A 72 72 LEU CB C 72 40.600 41.202 -0.602 1
1 852 . 5 1 1 A 72 72 LEU N N 72 122.300 122.798 -0.498 1
1 853 . 5 1 1 A 73 73 THR H H 73 8.000 8.466 -0.466 1
1 854 . 5 1 1 A 73 73 THR HA H 73 5.110 4.190 0.920 1
1 859 . 5 1 1 A 73 73 THR CA C 73 59.300 63.645 -4.345 1
1 860 . 5 1 1 A 73 73 THR CB C 73 71.950 68.991 2.959 1
1 862 . 5 1 1 A 74 74 ASN H H 74 8.370 7.770 0.600 1
1 863 . 5 1 1 A 74 74 ASN HA H 74 4.660 4.740 -0.080 1
1 868 . 5 1 1 A 74 74 ASN CA C 74 52.780 53.575 -0.795 1
1 869 . 5 1 1 A 74 74 ASN CB C 74 38.360 39.787 -1.427 1
1 870 . 5 1 1 A 74 74 ASN N N 74 121.500 113.521 7.979 1
1 872 . 5 1 1 A 75 75 LEU H H 75 8.020 8.112 -0.092 1
1 873 . 5 1 1 A 75 75 LEU HA H 75 3.970 4.139 -0.169 1
1 883 . 5 1 1 A 75 75 LEU CA C 75 55.500 56.724 -1.224 1
1 884 . 5 1 1 A 75 75 LEU CB C 75 41.800 40.237 1.563 1
1 888 . 5 1 1 A 75 75 LEU N N 75 123.200 116.402 6.798 1
1 889 . 5 1 1 A 76 76 TYR H H 76 7.930 7.897 0.033 1
1 890 . 5 1 1 A 76 76 TYR HA H 76 4.450 4.734 -0.284 1
1 897 . 5 1 1 A 76 76 TYR CA C 76 58.000 58.892 -0.892 1
1 898 . 5 1 1 A 76 76 TYR CB C 76 37.700 40.784 -3.084 1
1 903 . 5 1 1 A 76 76 TYR N N 76 116.100 118.656 -2.556 1
1 904 . 5 1 1 A 77 77 GLU H H 77 7.410 7.854 -0.444 1
1 905 . 5 1 1 A 77 77 GLU HA H 77 4.650 4.442 0.208 1
1 910 . 5 1 1 A 77 77 GLU CA C 77 53.700 53.497 0.203 1
1 911 . 5 1 1 A 77 77 GLU CB C 77 30.200 30.109 0.091 1
1 913 . 5 1 1 A 77 77 GLU N N 77 122.300 119.688 2.612 1
1 914 . 5 1 1 A 78 78 PRO HA H 78 4.340 4.709 -0.369 1
1 921 . 5 1 1 A 78 78 PRO CA C 78 64.000 63.008 0.992 1
1 922 . 5 1 1 A 78 78 PRO CB C 78 31.740 32.458 -0.718 1
1 925 . 5 1 1 A 79 79 GLY H H 79 8.980 8.291 0.689 1
1 926 . 5 1 1 A 79 79 GLY HA2 H 79 3.822 4.343 -0.521 1
1 927 . 5 1 1 A 79 79 GLY HA3 H 79 4.090 4.356 -0.266 1
1 928 . 5 1 1 A 79 79 GLY CA C 79 45.570 44.914 0.656 1
1 929 . 5 1 1 A 79 79 GLY N N 79 112.300 108.054 4.246 1
1 930 . 5 1 1 A 80 80 ALA H H 80 7.670 8.592 -0.922 1
1 931 . 5 1 1 A 80 80 ALA HA H 80 4.300 4.215 0.085 1
1 935 . 5 1 1 A 80 80 ALA CA C 80 52.880 53.844 -0.964 1
1 936 . 5 1 1 A 80 80 ALA CB C 80 20.670 18.945 1.725 1
1 937 . 5 1 1 A 80 80 ALA N N 80 123.200 121.251 1.949 1
1 938 . 5 1 1 A 81 81 VAL H H 81 8.280 7.936 0.344 1
1 939 . 5 1 1 A 81 81 VAL HA H 81 4.410 5.310 -0.900 1
1 947 . 5 1 1 A 81 81 VAL CA C 81 61.540 61.076 0.464 1
1 948 . 5 1 1 A 81 81 VAL CB C 81 34.000 33.551 0.449 1
1 951 . 5 1 1 A 82 82 SER H H 82 8.970 9.181 -0.211 1
1 952 . 5 1 1 A 82 82 SER HA H 82 4.685 5.097 -0.412 1
1 955 . 5 1 1 A 82 82 SER CA C 82 57.180 57.715 -0.535 1
1 956 . 5 1 1 A 82 82 SER CB C 82 65.200 65.478 -0.278 1
1 957 . 5 1 1 A 82 82 SER N N 82 122.000 124.852 -2.852 1
1 958 . 5 1 1 A 83 83 GLU H H 83 8.360 8.688 -0.328 1
1 959 . 5 1 1 A 83 83 GLU HA H 83 4.500 4.706 -0.206 1
1 964 . 5 1 1 A 83 83 GLU CA C 83 53.020 56.280 -3.260 1
1 965 . 5 1 1 A 83 83 GLU CB C 83 31.800 30.253 1.547 1
1 967 . 5 1 1 A 83 83 GLU N N 83 122.800 126.136 -3.336 1
1 968 . 5 1 1 A 84 84 PHE H H 84 9.160 9.703 -0.543 1
1 969 . 5 1 1 A 84 84 PHE HA H 84 4.920 5.579 -0.659 1
1 977 . 5 1 1 A 84 84 PHE CA C 84 54.840 57.745 -2.905 1
1 978 . 5 1 1 A 84 84 PHE CB C 84 40.690 38.728 1.962 1
1 984 . 5 1 1 A 84 84 PHE N N 84 123.800 125.534 -1.734 1
1 985 . 5 1 1 A 85 85 TYR H H 85 8.810 8.588 0.222 1
1 986 . 5 1 1 A 85 85 TYR HA H 85 5.050 4.862 0.188 1
1 993 . 5 1 1 A 85 85 TYR CA C 85 56.190 56.717 -0.527 1
1 994 . 5 1 1 A 85 85 TYR CB C 85 37.800 38.494 -0.694 1
1 999 . 5 1 1 A 85 85 TYR N N 85 123.600 126.096 -2.496 1
1 1000 . 5 1 1 A 86 86 ILE H H 86 8.340 8.320 0.020 1
1 1001 . 5 1 1 A 86 86 ILE HA H 86 4.520 4.400 0.120 1
1 1011 . 5 1 1 A 86 86 ILE CA C 86 59.340 59.866 -0.526 1
1 1012 . 5 1 1 A 86 86 ILE CB C 86 40.300 39.199 1.101 1
1 1016 . 5 1 1 A 86 86 ILE N N 86 126.200 128.850 -2.650 1
1 1017 . 5 1 1 A 87 87 GLU H H 87 8.200 8.177 0.023 1
1 1018 . 5 1 1 A 87 87 GLU HA H 87 5.330 5.093 0.237 1
1 1023 . 5 1 1 A 87 87 GLU CA C 87 54.500 54.940 -0.440 1
1 1024 . 5 1 1 A 87 87 GLU CB C 87 34.100 31.523 2.577 1
1 1026 . 5 1 1 A 87 87 GLU N N 87 124.600 126.451 -1.851 1
1 1027 . 5 1 1 A 88 88 ILE H H 88 9.250 9.260 -0.010 1
1 1028 . 5 1 1 A 88 88 ILE HA H 88 5.080 4.683 0.397 1
1 1038 . 5 1 1 A 88 88 ILE CA C 88 59.900 59.945 -0.045 1
1 1039 . 5 1 1 A 88 88 ILE CB C 88 42.100 40.159 1.941 1
1 1043 . 5 1 1 A 88 88 ILE N N 88 124.900 125.347 -0.447 1
1 1044 . 5 1 1 A 89 89 THR H H 89 9.020 8.757 0.263 1
1 1045 . 5 1 1 A 89 89 THR HA H 89 4.960 4.577 0.383 1
1 1050 . 5 1 1 A 89 89 THR CA C 89 61.600 61.276 0.324 1
1 1051 . 5 1 1 A 89 89 THR CB C 89 70.000 69.852 0.148 1
1 1053 . 5 1 1 A 89 89 THR N N 89 122.900 120.290 2.610 1
1 1054 . 5 1 1 A 90 90 GLU H H 90 8.910 8.618 0.292 1
1 1055 . 5 1 1 A 90 90 GLU HA H 90 4.730 4.381 0.349 1
1 1060 . 5 1 1 A 90 90 GLU CA C 90 57.300 56.770 0.530 1
1 1061 . 5 1 1 A 90 90 GLU CB C 90 30.570 29.883 0.687 1
1 1063 . 5 1 1 A 90 90 GLU N N 90 128.600 123.779 4.821 1
1 1064 . 5 1 1 A 91 91 ILE H H 91 8.550 8.442 0.108 1
1 1065 . 5 1 1 A 91 91 ILE HA H 91 4.230 4.194 0.036 1
1 1075 . 5 1 1 A 91 91 ILE CA C 91 61.400 61.804 -0.404 1
1 1076 . 5 1 1 A 91 91 ILE CB C 91 39.800 39.286 0.514 1
1 1080 . 5 1 1 A 91 91 ILE N N 91 124.600 123.759 0.841 1
1 1081 . 5 1 1 A 92 92 ASP H H 92 8.550 8.989 -0.439 1
1 1082 . 5 1 1 A 92 92 ASP HA H 92 4.612 4.893 -0.281 1
1 1085 . 5 1 1 A 92 92 ASP CA C 92 54.370 52.991 1.379 1
1 1086 . 5 1 1 A 92 92 ASP CB C 92 41.570 43.136 -1.566 1
1 1087 . 5 1 1 A 92 92 ASP N N 92 124.100 128.095 -3.995 1
1 1088 . 5 1 1 A 93 93 LYS H H 93 8.530 8.979 -0.449 1
1 1089 . 5 1 1 A 93 93 LYS HA H 93 4.240 4.282 -0.042 1
1 1098 . 5 1 1 A 93 93 LYS CA C 93 57.100 58.475 -1.375 1
1 1099 . 5 1 1 A 93 93 LYS CB C 93 32.900 31.898 1.002 1
1 1103 . 5 1 1 A 93 93 LYS N N 93 123.200 121.210 1.990 1
1 1104 . 5 1 1 A 94 94 ASN H H 94 8.590 8.113 0.477 1
1 1105 . 5 1 1 A 94 94 ASN HA H 94 4.680 4.517 0.163 1
1 1110 . 5 1 1 A 94 94 ASN CA C 94 53.300 55.167 -1.867 1
1 1111 . 5 1 1 A 94 94 ASN CB C 94 38.700 38.818 -0.118 1
1 1112 . 5 1 1 A 94 94 ASN N N 94 118.800 117.201 1.599 1
1 1114 . 5 1 1 A 95 95 ALA H H 95 8.110 7.540 0.570 1
1 1115 . 5 1 1 A 95 95 ALA HA H 95 4.270 4.357 -0.087 1
1 1119 . 5 1 1 A 95 95 ALA CA C 95 53.160 53.876 -0.716 1
1 1120 . 5 1 1 A 95 95 ALA CB C 95 19.100 19.831 -0.731 1
1 1121 . 5 1 1 A 95 95 ALA N N 95 123.990 121.001 2.989 1
1 1122 . 5 1 1 A 96 96 ASP H H 96 8.290 7.715 0.575 1
1 1123 . 5 1 1 A 96 96 ASP HA H 96 4.610 4.920 -0.310 1
1 1126 . 5 1 1 A 96 96 ASP CA C 96 54.400 53.348 1.052 1
1 1127 . 5 1 1 A 96 96 ASP CB C 96 41.300 44.379 -3.079 1
1 1128 . 5 1 1 A 96 96 ASP N N 96 119.100 116.081 3.019 1
1 1129 . 5 1 1 A 97 97 SER H H 97 8.150 8.499 -0.349 1
1 1130 . 5 1 1 A 97 97 SER HA H 97 4.380 4.775 -0.395 1
1 1133 . 5 1 1 A 97 97 SER CA C 97 58.600 57.369 1.231 1
1 1134 . 5 1 1 A 97 97 SER CB C 97 63.600 64.691 -1.091 1
1 1135 . 5 1 1 A 97 97 SER N N 97 115.800 118.030 -2.230 1
1 1136 . 5 1 1 A 98 98 LEU H H 98 8.240 7.838 0.402 1
1 1137 . 5 1 1 A 98 98 LEU HA H 98 4.260 4.660 -0.400 1
1 1147 . 5 1 1 A 98 98 LEU CA C 98 55.650 54.243 1.407 1
1 1148 . 5 1 1 A 98 98 LEU CB C 98 42.190 43.217 -1.027 1
1 1152 . 5 1 1 A 98 98 LEU N N 98 123.500 122.798 0.702 1
1 1153 . 5 1 1 A 99 99 GLU H H 99 8.190 8.668 -0.478 1
1 1154 . 5 1 1 A 99 99 GLU HA H 99 4.130 4.779 -0.649 1
1 1159 . 5 1 1 A 99 99 GLU CA C 99 56.850 55.854 0.996 1
1 1160 . 5 1 1 A 99 99 GLU CB C 99 29.900 30.546 -0.646 1
1 1162 . 5 1 1 A 99 99 GLU N N 99 119.900 124.849 -4.949 1
1 1163 . 5 1 1 A 100 100 HIS H H 100 8.200 9.098 -0.898 1
1 1164 . 5 1 1 A 100 100 HIS HA H 100 4.560 5.203 -0.643 1
1 1168 . 5 1 1 A 100 100 HIS CA C 100 55.835 54.869 0.966 1
1 1169 . 5 1 1 A 100 100 HIS CB C 100 30.370 33.006 -2.636 1
1 13 . 6 1 1 A 2 2 VAL H H 2 8.440 8.017 0.423 1
1 14 . 6 1 1 A 2 2 VAL HA H 2 3.790 4.385 -0.595 1
1 22 . 6 1 1 A 2 2 VAL CA C 2 62.900 60.268 2.632 1
1 23 . 6 1 1 A 2 2 VAL CB C 2 32.100 33.542 -1.442 1
1 26 . 6 1 1 A 2 2 VAL N N 2 125.800 121.792 4.008 1
1 27 . 6 1 1 A 3 3 LYS H H 3 8.980 8.010 0.970 1
1 28 . 6 1 1 A 3 3 LYS HA H 3 4.650 4.373 0.277 1
1 37 . 6 1 1 A 3 3 LYS CA C 3 57.100 57.318 -0.218 1
1 38 . 6 1 1 A 3 3 LYS CB C 3 36.400 35.846 0.554 1
1 42 . 6 1 1 A 3 3 LYS N N 3 124.600 125.139 -0.539 1
1 43 . 6 1 1 A 4 4 THR H H 4 7.740 7.993 -0.253 1
1 44 . 6 1 1 A 4 4 THR HA H 4 4.310 4.292 0.018 1
1 49 . 6 1 1 A 4 4 THR CA C 4 64.990 61.582 3.408 1
1 50 . 6 1 1 A 4 4 THR CB C 4 68.700 66.830 1.870 1
1 52 . 6 1 1 A 4 4 THR N N 4 117.900 115.371 2.529 1
1 53 . 6 1 1 A 5 5 LEU H H 5 8.460 8.525 -0.065 1
1 54 . 6 1 1 A 5 5 LEU HA H 5 4.850 5.137 -0.287 1
1 64 . 6 1 1 A 5 5 LEU CA C 5 52.700 53.378 -0.678 1
1 65 . 6 1 1 A 5 5 LEU CB C 5 45.190 45.245 -0.055 1
1 69 . 6 1 1 A 5 5 LEU N N 5 130.600 127.919 2.681 1
1 70 . 6 1 1 A 6 6 ARG H H 6 9.050 9.192 -0.142 1
1 71 . 6 1 1 A 6 6 ARG HA H 6 5.500 5.264 0.236 1
1 79 . 6 1 1 A 6 6 ARG CA C 6 54.350 54.333 0.017 1
1 80 . 6 1 1 A 6 6 ARG CB C 6 33.080 33.953 -0.873 1
1 83 . 6 1 1 A 6 6 ARG N N 6 123.100 125.618 -2.518 1
1 85 . 6 1 1 A 7 7 LEU H H 7 8.290 8.990 -0.700 1
1 86 . 6 1 1 A 7 7 LEU HA H 7 4.870 5.122 -0.252 1
1 96 . 6 1 1 A 7 7 LEU CA C 7 52.270 53.985 -1.715 1
1 97 . 6 1 1 A 7 7 LEU CB C 7 43.800 41.169 2.631 1
1 101 . 6 1 1 A 7 7 LEU N N 7 121.300 124.632 -3.332 1
1 102 . 6 1 1 A 8 8 ASN H H 8 9.220 9.125 0.095 1
1 103 . 6 1 1 A 8 8 ASN HA H 8 4.580 4.606 -0.026 1
1 108 . 6 1 1 A 8 8 ASN CA C 8 54.180 54.043 0.137 1
1 109 . 6 1 1 A 8 8 ASN CB C 8 36.400 37.309 -0.909 1
1 110 . 6 1 1 A 8 8 ASN N N 8 121.700 121.404 0.296 1
1 112 . 6 1 1 A 9 9 ASN HA H 9 4.180 4.595 -0.415 1
1 117 . 6 1 1 A 9 9 ASN CA C 9 54.800 54.889 -0.089 1
1 118 . 6 1 1 A 9 9 ASN CB C 9 38.200 38.235 -0.035 1
1 120 . 6 1 1 A 10 10 VAL H H 10 8.220 8.043 0.177 1
1 121 . 6 1 1 A 10 10 VAL HA H 10 4.090 4.187 -0.097 1
1 129 . 6 1 1 A 10 10 VAL CA C 10 62.820 61.743 1.077 1
1 130 . 6 1 1 A 10 10 VAL CB C 10 32.450 32.587 -0.137 1
1 133 . 6 1 1 A 10 10 VAL N N 10 124.500 118.318 6.182 1
1 134 . 6 1 1 A 11 11 THR H H 11 8.496 8.533 -0.037 1
1 135 . 6 1 1 A 11 11 THR HA H 11 4.670 4.531 0.139 1
1 140 . 6 1 1 A 11 11 THR CA C 11 63.830 63.120 0.710 1
1 141 . 6 1 1 A 11 11 THR CB C 11 68.980 69.735 -0.755 1
1 143 . 6 1 1 A 11 11 THR N N 11 123.600 120.731 2.869 1
1 144 . 6 1 1 A 12 12 LEU H H 12 9.700 8.594 1.106 1
1 145 . 6 1 1 A 12 12 LEU HA H 12 4.670 4.785 -0.115 1
1 155 . 6 1 1 A 12 12 LEU CA C 12 53.480 53.982 -0.502 1
1 156 . 6 1 1 A 12 12 LEU CB C 12 46.060 43.918 2.142 1
1 160 . 6 1 1 A 12 12 LEU N N 12 129.900 128.546 1.354 1
1 161 . 6 1 1 A 13 13 GLU H H 13 8.500 8.670 -0.170 1
1 162 . 6 1 1 A 13 13 GLU HA H 13 4.850 5.158 -0.308 1
1 167 . 6 1 1 A 13 13 GLU CA C 13 54.500 54.840 -0.340 1
1 168 . 6 1 1 A 13 13 GLU CB C 13 31.600 32.187 -0.587 1
1 170 . 6 1 1 A 13 13 GLU N N 13 121.100 125.007 -3.907 1
1 171 . 6 1 1 A 14 14 MET H H 14 9.340 8.883 0.457 1
1 172 . 6 1 1 A 14 14 MET HA H 14 4.750 5.230 -0.480 1
1 180 . 6 1 1 A 14 14 MET CA C 14 55.380 53.558 1.822 1
1 181 . 6 1 1 A 14 14 MET CB C 14 33.823 36.042 -2.219 1
1 184 . 6 1 1 A 14 14 MET N N 14 124.300 125.120 -0.820 1
1 185 . 6 1 1 A 15 15 ALA H H 15 9.040 8.270 0.770 1
1 186 . 6 1 1 A 15 15 ALA HA H 15 4.490 4.533 -0.043 1
1 190 . 6 1 1 A 15 15 ALA CA C 15 52.570 53.494 -0.924 1
1 191 . 6 1 1 A 15 15 ALA CB C 15 19.870 21.200 -1.330 1
1 192 . 6 1 1 A 15 15 ALA N N 15 125.900 121.316 4.584 1
1 193 . 6 1 1 A 16 16 ALA H H 16 7.880 7.930 -0.050 1
1 194 . 6 1 1 A 16 16 ALA HA H 16 4.526 4.516 0.010 1
1 198 . 6 1 1 A 16 16 ALA CA C 16 52.580 50.468 2.112 1
1 199 . 6 1 1 A 16 16 ALA CB C 16 21.400 19.346 2.054 1
1 200 . 6 1 1 A 16 16 ALA N N 16 119.400 121.391 -1.991 1
1 201 . 6 1 1 A 17 17 TYR H H 17 8.270 9.184 -0.914 1
1 202 . 6 1 1 A 17 17 TYR HA H 17 5.290 4.888 0.402 1
1 209 . 6 1 1 A 17 17 TYR CA C 17 59.160 56.989 2.171 1
1 210 . 6 1 1 A 17 17 TYR CB C 17 41.700 38.178 3.522 1
1 215 . 6 1 1 A 17 17 TYR N N 17 120.300 126.931 -6.631 1
1 216 . 6 1 1 A 18 18 GLN H H 18 8.610 8.450 0.160 1
1 217 . 6 1 1 A 18 18 GLN HA H 18 4.350 4.726 -0.376 1
1 224 . 6 1 1 A 18 18 GLN CA C 18 54.920 55.393 -0.473 1
1 225 . 6 1 1 A 18 18 GLN CB C 18 32.570 30.230 2.340 1
1 227 . 6 1 1 A 18 18 GLN N N 18 128.000 128.384 -0.384 1
1 229 . 6 1 1 A 19 19 GLU H H 19 8.370 9.009 -0.639 1
1 230 . 6 1 1 A 19 19 GLU HA H 19 5.015 5.052 -0.037 1
1 235 . 6 1 1 A 19 19 GLU CA C 19 54.700 54.323 0.377 1
1 236 . 6 1 1 A 19 19 GLU CB C 19 34.800 33.104 1.696 1
1 238 . 6 1 1 A 19 19 GLU N N 19 122.900 123.755 -0.855 1
1 239 . 6 1 1 A 20 20 GLU H H 20 8.920 9.246 -0.326 1
1 240 . 6 1 1 A 20 20 GLU HA H 20 4.740 4.706 0.034 1
1 245 . 6 1 1 A 20 20 GLU CA C 20 55.100 54.899 0.201 1
1 246 . 6 1 1 A 20 20 GLU CB C 20 33.800 31.420 2.380 1
1 248 . 6 1 1 A 20 20 GLU N N 20 123.300 123.829 -0.529 1
1 249 . 6 1 1 A 21 21 SER H H 21 9.070 8.899 0.171 1
1 250 . 6 1 1 A 21 21 SER HA H 21 4.430 4.447 -0.017 1
1 253 . 6 1 1 A 21 21 SER CA C 21 59.300 59.653 -0.353 1
1 254 . 6 1 1 A 21 21 SER CB C 21 65.000 63.587 1.413 1
1 255 . 6 1 1 A 21 21 SER N N 21 114.800 121.772 -6.972 1
1 256 . 6 1 1 A 22 22 GLU H H 22 7.670 8.107 -0.437 1
1 257 . 6 1 1 A 22 22 GLU HA H 22 4.500 4.606 -0.106 1
1 262 . 6 1 1 A 22 22 GLU CA C 22 53.100 55.157 -2.057 1
1 263 . 6 1 1 A 22 22 GLU CB C 22 31.750 30.023 1.727 1
1 265 . 6 1 1 A 22 22 GLU N N 22 119.913 117.098 2.815 1
1 266 . 6 1 1 A 23 23 PRO HA H 23 4.636 4.529 0.107 1
1 273 . 6 1 1 A 23 23 PRO CA C 23 64.200 64.289 -0.089 1
1 274 . 6 1 1 A 23 23 PRO CB C 23 34.200 32.223 1.977 1
1 277 . 6 1 1 A 24 24 LYS H H 24 7.370 7.579 -0.209 1
1 278 . 6 1 1 A 24 24 LYS HA H 24 4.480 4.790 -0.310 1
1 287 . 6 1 1 A 24 24 LYS CA C 24 54.200 54.550 -0.350 1
1 288 . 6 1 1 A 24 24 LYS CB C 24 36.400 36.925 -0.525 1
1 292 . 6 1 1 A 24 24 LYS N N 24 119.400 117.606 1.794 1
1 293 . 6 1 1 A 25 25 ARG H H 25 8.730 8.725 0.005 1
1 294 . 6 1 1 A 25 25 ARG HA H 25 4.470 4.414 0.056 1
1 302 . 6 1 1 A 25 25 ARG CA C 25 57.000 55.674 1.326 1
1 303 . 6 1 1 A 25 25 ARG CB C 25 28.900 29.326 -0.426 1
1 306 . 6 1 1 A 25 25 ARG N N 25 121.900 121.288 0.612 1
1 308 . 6 1 1 A 26 26 LYS H H 26 8.220 8.743 -0.523 1
1 309 . 6 1 1 A 26 26 LYS HA H 26 5.270 4.986 0.284 1
1 318 . 6 1 1 A 26 26 LYS CA C 26 55.000 54.875 0.125 1
1 319 . 6 1 1 A 26 26 LYS CB C 26 36.900 33.810 3.090 1
1 323 . 6 1 1 A 26 26 LYS N N 26 124.500 125.941 -1.441 1
1 324 . 6 1 1 A 27 27 ILE H H 27 9.100 9.565 -0.465 1
1 325 . 6 1 1 A 27 27 ILE HA H 27 5.320 4.914 0.406 1
1 335 . 6 1 1 A 27 27 ILE CA C 27 59.000 59.912 -0.912 1
1 336 . 6 1 1 A 27 27 ILE CB C 27 42.480 39.963 2.517 1
1 340 . 6 1 1 A 27 27 ILE N N 27 116.400 122.756 -6.356 1
1 341 . 6 1 1 A 28 28 ALA H H 28 8.730 9.015 -0.285 1
1 342 . 6 1 1 A 28 28 ALA HA H 28 5.460 5.041 0.419 1
1 346 . 6 1 1 A 28 28 ALA CA C 28 50.600 50.264 0.336 1
1 347 . 6 1 1 A 28 28 ALA CB C 28 21.960 19.683 2.277 1
1 348 . 6 1 1 A 28 28 ALA N N 28 124.900 130.239 -5.339 1
1 349 . 6 1 1 A 29 29 PHE H H 29 8.750 8.209 0.541 1
1 350 . 6 1 1 A 29 29 PHE HA H 29 5.420 5.973 -0.553 1
1 355 . 6 1 1 A 29 29 PHE CA C 29 55.680 55.483 0.197 1
1 356 . 6 1 1 A 29 29 PHE CB C 29 43.100 42.398 0.702 1
1 359 . 6 1 1 A 29 29 PHE N N 29 118.800 120.623 -1.823 1
1 360 . 6 1 1 A 30 30 THR H H 30 7.980 8.688 -0.708 1
1 361 . 6 1 1 A 30 30 THR HA H 30 5.690 5.479 0.211 1
1 366 . 6 1 1 A 30 30 THR CA C 30 59.900 61.005 -1.105 1
1 367 . 6 1 1 A 30 30 THR CB C 30 71.130 69.999 1.131 1
1 369 . 6 1 1 A 30 30 THR N N 30 114.100 113.052 1.048 1
1 370 . 6 1 1 A 31 31 LEU H H 31 9.360 8.974 0.386 1
1 371 . 6 1 1 A 31 31 LEU HA H 31 5.020 5.222 -0.202 1
1 381 . 6 1 1 A 31 31 LEU CA C 31 52.990 54.013 -1.023 1
1 382 . 6 1 1 A 31 31 LEU CB C 31 45.400 44.730 0.670 1
1 386 . 6 1 1 A 31 31 LEU N N 31 125.300 127.646 -2.346 1
1 387 . 6 1 1 A 32 32 ASN H H 32 9.160 8.386 0.774 1
1 388 . 6 1 1 A 32 32 ASN HA H 32 5.210 4.916 0.294 1
1 393 . 6 1 1 A 32 32 ASN CA C 32 52.660 52.819 -0.159 1
1 394 . 6 1 1 A 32 32 ASN CB C 32 38.600 38.333 0.267 1
1 395 . 6 1 1 A 32 32 ASN N N 32 123.600 124.672 -1.072 1
1 397 . 6 1 1 A 33 33 VAL H H 33 8.880 8.702 0.178 1
1 398 . 6 1 1 A 33 33 VAL HA H 33 4.080 4.649 -0.569 1
1 406 . 6 1 1 A 33 33 VAL CA C 33 61.940 61.773 0.167 1
1 407 . 6 1 1 A 33 33 VAL CB C 33 34.600 32.521 2.079 1
1 410 . 6 1 1 A 33 33 VAL N N 33 124.500 126.604 -2.104 1
1 411 . 6 1 1 A 34 34 THR H H 34 7.650 8.742 -1.092 1
1 412 . 6 1 1 A 34 34 THR HA H 34 5.130 4.839 0.291 1
1 417 . 6 1 1 A 34 34 THR CA C 34 59.200 60.302 -1.102 1
1 418 . 6 1 1 A 34 34 THR CB C 34 72.830 71.987 0.843 1
1 420 . 6 1 1 A 34 34 THR N N 34 114.300 119.757 -5.457 1
1 421 . 6 1 1 A 35 35 SER H H 35 9.330 9.160 0.170 1
1 422 . 6 1 1 A 35 35 SER HA H 35 4.020 4.182 -0.162 1
1 425 . 6 1 1 A 35 35 SER CA C 35 62.000 61.520 0.480 1
1 426 . 6 1 1 A 35 35 SER CB C 35 62.400 63.011 -0.611 1
1 427 . 6 1 1 A 35 35 SER N N 35 116.200 117.690 -1.490 1
1 428 . 6 1 1 A 36 36 GLU H H 36 8.360 8.213 0.147 1
1 429 . 6 1 1 A 36 36 GLU HA H 36 4.330 4.285 0.045 1
1 434 . 6 1 1 A 36 36 GLU CA C 36 58.900 58.599 0.301 1
1 435 . 6 1 1 A 36 36 GLU CB C 36 30.200 30.169 0.031 1
1 437 . 6 1 1 A 36 36 GLU N N 36 119.200 120.688 -1.488 1
1 438 . 6 1 1 A 37 37 THR H H 37 7.580 7.379 0.201 1
1 439 . 6 1 1 A 37 37 THR HA H 37 4.650 4.524 0.126 1
1 444 . 6 1 1 A 37 37 THR CA C 37 61.620 62.131 -0.511 1
1 445 . 6 1 1 A 37 37 THR CB C 37 70.630 69.876 0.754 1
1 447 . 6 1 1 A 37 37 THR N N 37 108.800 108.577 0.223 1
1 448 . 6 1 1 A 38 38 TYR H H 38 7.990 8.424 -0.434 1
1 449 . 6 1 1 A 38 38 TYR HA H 38 3.890 4.228 -0.338 1
1 456 . 6 1 1 A 38 38 TYR CA C 38 61.980 61.109 0.871 1
1 457 . 6 1 1 A 38 38 TYR CB C 38 38.600 37.968 0.632 1
1 462 . 6 1 1 A 38 38 TYR N N 38 121.700 122.938 -1.238 1
1 463 . 6 1 1 A 39 39 HIS H H 39 8.770 7.438 1.332 1
1 464 . 6 1 1 A 39 39 HIS HA H 39 3.950 3.620 0.330 1
1 468 . 6 1 1 A 39 39 HIS CA C 39 60.450 57.333 3.117 1
1 469 . 6 1 1 A 39 39 HIS CB C 39 28.350 29.818 -1.468 1
1 471 . 6 1 1 A 39 39 HIS N N 39 116.400 119.909 -3.509 1
1 472 . 6 1 1 A 40 40 ASP H H 40 8.180 7.546 0.634 1
1 473 . 6 1 1 A 40 40 ASP HA H 40 4.280 4.387 -0.107 1
1 476 . 6 1 1 A 40 40 ASP CA C 40 57.230 56.797 0.433 1
1 477 . 6 1 1 A 40 40 ASP CB C 40 39.980 41.340 -1.360 1
1 478 . 6 1 1 A 40 40 ASP N N 40 117.200 118.577 -1.377 1
1 479 . 6 1 1 A 41 41 ILE H H 41 7.700 7.786 -0.086 1
1 480 . 6 1 1 A 41 41 ILE HA H 41 3.740 3.737 0.003 1
1 490 . 6 1 1 A 41 41 ILE CA C 41 63.400 65.417 -2.017 1
1 491 . 6 1 1 A 41 41 ILE CB C 41 37.000 37.208 -0.208 1
1 495 . 6 1 1 A 41 41 ILE N N 41 120.600 119.178 1.422 1
1 496 . 6 1 1 A 42 42 ALA H H 42 8.630 7.558 1.072 1
1 497 . 6 1 1 A 42 42 ALA HA H 42 3.790 4.235 -0.445 1
1 501 . 6 1 1 A 42 42 ALA CA C 42 55.780 54.521 1.259 1
1 502 . 6 1 1 A 42 42 ALA CB C 42 17.400 18.767 -1.367 1
1 503 . 6 1 1 A 42 42 ALA N N 42 122.900 121.917 0.983 1
1 504 . 6 1 1 A 43 43 VAL H H 43 7.650 7.271 0.379 1
1 505 . 6 1 1 A 43 43 VAL HA H 43 3.390 4.112 -0.722 1
1 513 . 6 1 1 A 43 43 VAL CA C 43 65.700 64.407 1.293 1
1 514 . 6 1 1 A 43 43 VAL CB C 43 31.740 32.715 -0.975 1
1 517 . 6 1 1 A 43 43 VAL N N 43 114.600 116.339 -1.739 1
1 518 . 6 1 1 A 44 44 LEU H H 44 7.250 7.382 -0.132 1
1 519 . 6 1 1 A 44 44 LEU HA H 44 4.300 4.326 -0.026 1
1 529 . 6 1 1 A 44 44 LEU CA C 44 57.900 56.508 1.392 1
1 530 . 6 1 1 A 44 44 LEU CB C 44 42.250 43.558 -1.308 1
1 534 . 6 1 1 A 44 44 LEU N N 44 122.800 120.255 2.545 1
1 535 . 6 1 1 A 45 45 LEU H H 45 8.060 8.058 0.002 1
1 536 . 6 1 1 A 45 45 LEU HA H 45 4.430 4.841 -0.411 1
1 546 . 6 1 1 A 45 45 LEU CA C 45 55.200 54.117 1.083 1
1 547 . 6 1 1 A 45 45 LEU CB C 45 41.600 42.921 -1.321 1
1 551 . 6 1 1 A 46 46 TYR H H 46 8.040 8.781 -0.741 1
1 552 . 6 1 1 A 46 46 TYR HA H 46 5.380 4.977 0.403 1
1 559 . 6 1 1 A 46 46 TYR CA C 46 56.900 58.733 -1.833 1
1 560 . 6 1 1 A 46 46 TYR CB C 46 40.500 41.491 -0.991 1
1 565 . 6 1 1 A 46 46 TYR N N 46 122.700 125.829 -3.129 1
1 566 . 6 1 1 A 47 47 GLU HA H 47 4.000 4.820 -0.820 1
1 571 . 6 1 1 A 47 47 GLU CA C 47 57.700 54.120 3.580 1
1 572 . 6 1 1 A 47 47 GLU CB C 47 29.800 32.276 -2.476 1
1 574 . 6 1 1 A 48 48 LYS HA H 48 4.660 4.064 0.596 1
1 583 . 6 1 1 A 48 48 LYS CA C 48 57.450 58.310 -0.860 1
1 584 . 6 1 1 A 48 48 LYS CB C 48 36.800 31.014 5.786 1
1 588 . 6 1 1 A 49 49 THR H H 49 7.540 7.924 -0.384 1
1 589 . 6 1 1 A 49 49 THR HA H 49 4.830 5.194 -0.364 1
1 594 . 6 1 1 A 49 49 THR CA C 49 60.360 60.564 -0.204 1
1 595 . 6 1 1 A 49 49 THR CB C 49 70.850 70.429 0.421 1
1 597 . 6 1 1 A 49 49 THR N N 49 115.800 111.792 4.008 1
1 598 . 6 1 1 A 50 50 PHE H H 50 9.030 8.982 0.048 1
1 599 . 6 1 1 A 50 50 PHE HA H 50 5.150 5.038 0.112 1
1 606 . 6 1 1 A 50 50 PHE CA C 50 55.680 56.065 -0.385 1
1 607 . 6 1 1 A 50 50 PHE CB C 50 44.220 41.781 2.439 1
1 612 . 6 1 1 A 50 50 PHE N N 50 118.300 122.801 -4.501 1
1 613 . 6 1 1 A 51 51 ASN H H 51 8.810 9.053 -0.243 1
1 614 . 6 1 1 A 51 51 ASN HA H 51 4.920 5.001 -0.081 1
1 619 . 6 1 1 A 51 51 ASN CA C 51 53.960 53.101 0.859 1
1 620 . 6 1 1 A 51 51 ASN CB C 51 37.900 38.925 -1.025 1
1 621 . 6 1 1 A 51 51 ASN N N 51 121.100 121.555 -0.455 1
1 623 . 6 1 1 A 52 52 VAL H H 52 9.140 8.716 0.424 1
1 624 . 6 1 1 A 52 52 VAL HA H 52 4.370 4.311 0.059 1
1 632 . 6 1 1 A 52 52 VAL CA C 52 61.660 62.535 -0.875 1
1 633 . 6 1 1 A 52 52 VAL CB C 52 32.590 31.367 1.223 1
1 636 . 6 1 1 A 52 52 VAL N N 52 129.300 125.150 4.150 1
1 637 . 6 1 1 A 53 53 GLU H H 53 9.020 9.390 -0.370 1
1 638 . 6 1 1 A 53 53 GLU HA H 53 5.090 5.383 -0.293 1
1 643 . 6 1 1 A 53 53 GLU CA C 53 55.500 54.874 0.626 1
1 644 . 6 1 1 A 53 53 GLU CB C 53 31.940 31.841 0.099 1
1 646 . 6 1 1 A 53 53 GLU N N 53 125.400 127.565 -2.165 1
1 647 . 6 1 1 A 54 54 VAL H H 54 8.840 8.613 0.227 1
1 648 . 6 1 1 A 54 54 VAL HA H 54 4.680 4.602 0.078 1
1 656 . 6 1 1 A 54 54 VAL CA C 54 58.900 58.289 0.611 1
1 657 . 6 1 1 A 54 54 VAL CB C 54 31.900 33.881 -1.981 1
1 660 . 6 1 1 A 54 54 VAL N N 54 123.100 122.612 0.488 1
1 661 . 6 1 1 A 55 55 PRO HA H 55 4.480 4.261 0.219 1
1 668 . 6 1 1 A 55 55 PRO CA C 55 65.720 65.657 0.063 1
1 669 . 6 1 1 A 55 55 PRO CB C 55 32.040 31.758 0.282 1
1 672 . 6 1 1 A 56 56 GLU H H 56 10.050 8.720 1.330 1
1 673 . 6 1 1 A 56 56 GLU HA H 56 4.145 4.094 0.051 1
1 678 . 6 1 1 A 56 56 GLU CA C 56 58.580 59.242 -0.662 1
1 679 . 6 1 1 A 56 56 GLU CB C 56 30.000 29.210 0.790 1
1 681 . 6 1 1 A 56 56 GLU N N 56 118.000 117.631 0.369 1
1 682 . 6 1 1 A 57 57 ARG H H 57 7.550 7.281 0.269 1
1 683 . 6 1 1 A 57 57 ARG HA H 57 4.480 4.541 -0.061 1
1 691 . 6 1 1 A 57 57 ARG CA C 57 52.560 54.631 -2.071 1
1 692 . 6 1 1 A 57 57 ARG CB C 57 29.990 31.215 -1.225 1
1 695 . 6 1 1 A 57 57 ARG N N 57 116.400 116.996 -0.596 1
1 697 . 6 1 1 A 58 58 ASP H H 58 7.920 8.174 -0.254 1
1 698 . 6 1 1 A 58 58 ASP HA H 58 4.250 4.265 -0.015 1
1 701 . 6 1 1 A 58 58 ASP CA C 58 55.420 55.003 0.417 1
1 702 . 6 1 1 A 58 58 ASP CB C 58 39.860 38.547 1.313 1
1 703 . 6 1 1 A 58 58 ASP N N 58 118.400 118.264 0.136 1
1 704 . 6 1 1 A 59 59 LEU H H 59 6.930 7.629 -0.699 1
1 705 . 6 1 1 A 59 59 LEU HA H 59 4.770 4.553 0.217 1
1 715 . 6 1 1 A 59 59 LEU CA C 59 53.830 54.582 -0.752 1
1 716 . 6 1 1 A 59 59 LEU CB C 59 45.800 43.080 2.720 1
1 720 . 6 1 1 A 59 59 LEU N N 59 116.500 122.557 -6.057 1
1 721 . 6 1 1 A 60 60 ALA H H 60 8.690 8.711 -0.021 1
1 722 . 6 1 1 A 60 60 ALA HA H 60 5.353 5.092 0.261 1
1 726 . 6 1 1 A 60 60 ALA CA C 60 52.020 50.900 1.120 1
1 727 . 6 1 1 A 60 60 ALA CB C 60 21.060 20.125 0.935 1
1 728 . 6 1 1 A 60 60 ALA N N 60 130.000 129.347 0.653 1
1 729 . 6 1 1 A 61 61 PHE H H 61 8.470 8.677 -0.207 1
1 730 . 6 1 1 A 61 61 PHE HA H 61 4.933 4.973 -0.040 1
1 737 . 6 1 1 A 61 61 PHE CA C 61 56.500 57.614 -1.114 1
1 738 . 6 1 1 A 61 61 PHE CB C 61 39.720 42.841 -3.121 1
1 743 . 6 1 1 A 61 61 PHE N N 61 117.500 123.384 -5.884 1
1 744 . 6 1 1 A 62 62 ARG H H 62 9.270 7.981 1.289 1
1 745 . 6 1 1 A 62 62 ARG HA H 62 5.290 4.466 0.824 1
1 753 . 6 1 1 A 62 62 ARG CA C 62 54.950 55.411 -0.461 1
1 754 . 6 1 1 A 62 62 ARG CB C 62 30.800 30.597 0.203 1
1 757 . 6 1 1 A 62 62 ARG N N 62 122.500 126.997 -4.497 1
1 759 . 6 1 1 A 63 63 GLY H H 63 9.370 9.177 0.193 1
1 760 . 6 1 1 A 63 63 GLY HA2 H 63 5.440 4.141 1.299 1
1 761 . 6 1 1 A 63 63 GLY HA3 H 63 3.460 4.262 -0.802 1
1 762 . 6 1 1 A 63 63 GLY CA C 63 45.000 44.739 0.261 1
1 763 . 6 1 1 A 63 63 GLY N N 63 112.700 113.306 -0.606 1
1 764 . 6 1 1 A 64 64 GLU H H 64 9.090 8.688 0.402 1
1 765 . 6 1 1 A 64 64 GLU HA H 64 5.410 4.506 0.904 1
1 770 . 6 1 1 A 64 64 GLU CA C 64 53.160 56.237 -3.077 1
1 771 . 6 1 1 A 64 64 GLU CB C 64 33.500 30.611 2.889 1
1 773 . 6 1 1 A 64 64 GLU N N 64 118.400 123.409 -5.009 1
1 774 . 6 1 1 A 65 65 MET H H 65 9.320 8.765 0.555 1
1 775 . 6 1 1 A 65 65 MET HA H 65 5.070 4.463 0.607 1
1 783 . 6 1 1 A 65 65 MET CA C 65 56.700 54.528 2.172 1
1 784 . 6 1 1 A 65 65 MET CB C 65 34.500 31.790 2.710 1
1 787 . 6 1 1 A 65 65 MET N N 65 124.900 123.318 1.582 1
1 788 . 6 1 1 A 66 66 THR H H 66 8.970 8.218 0.752 1
1 789 . 6 1 1 A 66 66 THR HA H 66 4.480 4.218 0.262 1
1 794 . 6 1 1 A 66 66 THR CA C 66 61.970 64.454 -2.484 1
1 795 . 6 1 1 A 66 66 THR CB C 66 69.160 69.853 -0.693 1
1 797 . 6 1 1 A 66 66 THR N N 66 120.300 116.639 3.661 1
1 798 . 6 1 1 A 67 67 ASN H H 67 7.850 7.972 -0.122 1
1 799 . 6 1 1 A 67 67 ASN HA H 67 4.850 4.647 0.203 1
1 804 . 6 1 1 A 67 67 ASN CA C 67 54.240 55.308 -1.068 1
1 805 . 6 1 1 A 67 67 ASN CB C 67 41.900 37.264 4.636 1
1 806 . 6 1 1 A 67 67 ASN N N 67 119.200 116.053 3.147 1
1 808 . 6 1 1 A 68 68 TYR H H 68 8.720 8.692 0.028 1
1 809 . 6 1 1 A 68 68 TYR HA H 68 4.611 4.777 -0.166 1
1 812 . 6 1 1 A 68 68 TYR CA C 68 54.600 59.095 -4.495 1
1 813 . 6 1 1 A 68 68 TYR CB C 68 41.180 40.328 0.852 1
1 814 . 6 1 1 A 68 68 TYR N N 68 123.200 122.808 0.392 1
1 815 . 6 1 1 A 69 69 SER H H 69 8.160 8.235 -0.075 1
1 816 . 6 1 1 A 69 69 SER HA H 69 4.450 4.841 -0.391 1
1 819 . 6 1 1 A 69 69 SER CA C 69 58.913 56.482 2.431 1
1 820 . 6 1 1 A 69 69 SER CB C 69 65.000 65.601 -0.601 1
1 821 . 6 1 1 A 69 69 SER N N 69 115.000 111.693 3.307 1
1 822 . 6 1 1 A 70 70 THR H H 70 8.250 8.974 -0.724 1
1 823 . 6 1 1 A 70 70 THR HA H 70 4.200 4.451 -0.251 1
1 828 . 6 1 1 A 70 70 THR CA C 70 62.200 62.727 -0.527 1
1 829 . 6 1 1 A 70 70 THR CB C 70 70.060 68.733 1.327 1
1 831 . 6 1 1 A 70 70 THR N N 70 111.000 117.712 -6.712 1
1 832 . 6 1 1 A 71 71 SER HA H 71 4.610 4.593 0.017 1
1 835 . 6 1 1 A 71 71 SER CA C 71 58.100 58.919 -0.819 1
1 836 . 6 1 1 A 71 71 SER CB C 71 63.600 65.388 -1.788 1
1 837 . 6 1 1 A 72 72 LEU H H 72 8.290 8.356 -0.066 1
1 838 . 6 1 1 A 72 72 LEU HA H 72 4.300 3.878 0.422 1
1 847 . 6 1 1 A 72 72 LEU CA C 72 56.500 57.336 -0.836 1
1 848 . 6 1 1 A 72 72 LEU CB C 72 40.600 41.380 -0.780 1
1 852 . 6 1 1 A 72 72 LEU N N 72 122.300 121.369 0.931 1
1 853 . 6 1 1 A 73 73 THR H H 73 8.000 7.990 0.010 1
1 854 . 6 1 1 A 73 73 THR HA H 73 5.110 4.049 1.061 1
1 859 . 6 1 1 A 73 73 THR CA C 73 59.300 61.738 -2.438 1
1 860 . 6 1 1 A 73 73 THR CB C 73 71.950 69.664 2.286 1
1 862 . 6 1 1 A 74 74 ASN H H 74 8.370 7.659 0.711 1
1 863 . 6 1 1 A 74 74 ASN HA H 74 4.660 4.887 -0.227 1
1 868 . 6 1 1 A 74 74 ASN CA C 74 52.780 52.319 0.461 1
1 869 . 6 1 1 A 74 74 ASN CB C 74 38.360 39.752 -1.392 1
1 870 . 6 1 1 A 74 74 ASN N N 74 121.500 121.729 -0.229 1
1 872 . 6 1 1 A 75 75 LEU H H 75 8.020 8.710 -0.690 1
1 873 . 6 1 1 A 75 75 LEU HA H 75 3.970 4.541 -0.571 1
1 883 . 6 1 1 A 75 75 LEU CA C 75 55.500 56.125 -0.625 1
1 884 . 6 1 1 A 75 75 LEU CB C 75 41.800 45.649 -3.849 1
1 888 . 6 1 1 A 75 75 LEU N N 75 123.200 127.834 -4.634 1
1 889 . 6 1 1 A 76 76 TYR H H 76 7.930 7.750 0.180 1
1 890 . 6 1 1 A 76 76 TYR HA H 76 4.450 4.812 -0.362 1
1 897 . 6 1 1 A 76 76 TYR CA C 76 58.000 58.028 -0.028 1
1 898 . 6 1 1 A 76 76 TYR CB C 76 37.700 40.044 -2.344 1
1 903 . 6 1 1 A 76 76 TYR N N 76 116.100 118.257 -2.157 1
1 904 . 6 1 1 A 77 77 GLU H H 77 7.410 8.531 -1.121 1
1 905 . 6 1 1 A 77 77 GLU HA H 77 4.650 4.477 0.173 1
1 910 . 6 1 1 A 77 77 GLU CA C 77 53.700 52.767 0.933 1
1 911 . 6 1 1 A 77 77 GLU CB C 77 30.200 30.787 -0.587 1
1 913 . 6 1 1 A 77 77 GLU N N 77 122.300 128.751 -6.451 1
1 914 . 6 1 1 A 78 78 PRO HA H 78 4.340 4.267 0.073 1
1 921 . 6 1 1 A 78 78 PRO CA C 78 64.000 63.733 0.267 1
1 922 . 6 1 1 A 78 78 PRO CB C 78 31.740 32.058 -0.318 1
1 925 . 6 1 1 A 79 79 GLY H H 79 8.980 7.463 1.517 1
1 926 . 6 1 1 A 79 79 GLY HA2 H 79 3.822 3.963 -0.141 1
1 927 . 6 1 1 A 79 79 GLY HA3 H 79 4.090 3.970 0.120 1
1 928 . 6 1 1 A 79 79 GLY CA C 79 45.570 45.777 -0.207 1
1 929 . 6 1 1 A 79 79 GLY N N 79 112.300 106.633 5.667 1
1 930 . 6 1 1 A 80 80 ALA H H 80 7.670 8.251 -0.581 1
1 931 . 6 1 1 A 80 80 ALA HA H 80 4.300 4.338 -0.038 1
1 935 . 6 1 1 A 80 80 ALA CA C 80 52.880 52.525 0.355 1
1 936 . 6 1 1 A 80 80 ALA CB C 80 20.670 18.289 2.381 1
1 937 . 6 1 1 A 80 80 ALA N N 80 123.200 129.141 -5.941 1
1 938 . 6 1 1 A 81 81 VAL H H 81 8.280 7.376 0.904 1
1 939 . 6 1 1 A 81 81 VAL HA H 81 4.410 4.447 -0.037 1
1 947 . 6 1 1 A 81 81 VAL CA C 81 61.540 60.433 1.107 1
1 948 . 6 1 1 A 81 81 VAL CB C 81 34.000 34.788 -0.788 1
1 951 . 6 1 1 A 82 82 SER H H 82 8.970 8.856 0.114 1
1 952 . 6 1 1 A 82 82 SER HA H 82 4.685 5.001 -0.316 1
1 955 . 6 1 1 A 82 82 SER CA C 82 57.180 58.168 -0.988 1
1 956 . 6 1 1 A 82 82 SER CB C 82 65.200 63.208 1.992 1
1 957 . 6 1 1 A 82 82 SER N N 82 122.000 125.099 -3.099 1
1 958 . 6 1 1 A 83 83 GLU H H 83 8.360 8.577 -0.217 1
1 959 . 6 1 1 A 83 83 GLU HA H 83 4.500 4.743 -0.243 1
1 964 . 6 1 1 A 83 83 GLU CA C 83 53.020 56.478 -3.458 1
1 965 . 6 1 1 A 83 83 GLU CB C 83 31.800 30.596 1.204 1
1 967 . 6 1 1 A 83 83 GLU N N 83 122.800 125.309 -2.509 1
1 968 . 6 1 1 A 84 84 PHE H H 84 9.160 9.609 -0.449 1
1 969 . 6 1 1 A 84 84 PHE HA H 84 4.920 4.658 0.262 1
1 977 . 6 1 1 A 84 84 PHE CA C 84 54.840 59.216 -4.376 1
1 978 . 6 1 1 A 84 84 PHE CB C 84 40.690 40.051 0.639 1
1 984 . 6 1 1 A 84 84 PHE N N 84 123.800 126.557 -2.757 1
1 985 . 6 1 1 A 85 85 TYR H H 85 8.810 8.509 0.301 1
1 986 . 6 1 1 A 85 85 TYR HA H 85 5.050 4.768 0.282 1
1 993 . 6 1 1 A 85 85 TYR CA C 85 56.190 56.538 -0.348 1
1 994 . 6 1 1 A 85 85 TYR CB C 85 37.800 38.225 -0.425 1
1 999 . 6 1 1 A 85 85 TYR N N 85 123.600 128.223 -4.623 1
1 1000 . 6 1 1 A 86 86 ILE H H 86 8.340 8.566 -0.226 1
1 1001 . 6 1 1 A 86 86 ILE HA H 86 4.520 4.399 0.121 1
1 1011 . 6 1 1 A 86 86 ILE CA C 86 59.340 60.218 -0.878 1
1 1012 . 6 1 1 A 86 86 ILE CB C 86 40.300 36.871 3.429 1
1 1016 . 6 1 1 A 86 86 ILE N N 86 126.200 128.289 -2.089 1
1 1017 . 6 1 1 A 87 87 GLU H H 87 8.200 8.429 -0.229 1
1 1018 . 6 1 1 A 87 87 GLU HA H 87 5.330 4.633 0.697 1
1 1023 . 6 1 1 A 87 87 GLU CA C 87 54.500 54.836 -0.336 1
1 1024 . 6 1 1 A 87 87 GLU CB C 87 34.100 31.522 2.578 1
1 1026 . 6 1 1 A 87 87 GLU N N 87 124.600 127.960 -3.360 1
1 1027 . 6 1 1 A 88 88 ILE H H 88 9.250 9.164 0.086 1
1 1028 . 6 1 1 A 88 88 ILE HA H 88 5.080 4.578 0.502 1
1 1038 . 6 1 1 A 88 88 ILE CA C 88 59.900 60.583 -0.683 1
1 1039 . 6 1 1 A 88 88 ILE CB C 88 42.100 39.047 3.053 1
1 1043 . 6 1 1 A 88 88 ILE N N 88 124.900 127.618 -2.718 1
1 1044 . 6 1 1 A 89 89 THR H H 89 9.020 8.555 0.465 1
1 1045 . 6 1 1 A 89 89 THR HA H 89 4.960 4.528 0.432 1
1 1050 . 6 1 1 A 89 89 THR CA C 89 61.600 62.686 -1.086 1
1 1051 . 6 1 1 A 89 89 THR CB C 89 70.000 69.789 0.211 1
1 1053 . 6 1 1 A 89 89 THR N N 89 122.900 122.764 0.136 1
1 1054 . 6 1 1 A 90 90 GLU H H 90 8.910 8.146 0.764 1
1 1055 . 6 1 1 A 90 90 GLU HA H 90 4.730 4.360 0.370 1
1 1060 . 6 1 1 A 90 90 GLU CA C 90 57.300 57.521 -0.221 1
1 1061 . 6 1 1 A 90 90 GLU CB C 90 30.570 30.159 0.411 1
1 1063 . 6 1 1 A 90 90 GLU N N 90 128.600 127.304 1.296 1
1 1064 . 6 1 1 A 91 91 ILE H H 91 8.550 8.212 0.338 1
1 1065 . 6 1 1 A 91 91 ILE HA H 91 4.230 4.139 0.091 1
1 1075 . 6 1 1 A 91 91 ILE CA C 91 61.400 62.005 -0.605 1
1 1076 . 6 1 1 A 91 91 ILE CB C 91 39.800 39.413 0.387 1
1 1080 . 6 1 1 A 91 91 ILE N N 91 124.600 126.964 -2.364 1
1 1081 . 6 1 1 A 92 92 ASP H H 92 8.550 8.808 -0.258 1
1 1082 . 6 1 1 A 92 92 ASP HA H 92 4.612 4.879 -0.267 1
1 1085 . 6 1 1 A 92 92 ASP CA C 92 54.370 53.341 1.029 1
1 1086 . 6 1 1 A 92 92 ASP CB C 92 41.570 42.271 -0.701 1
1 1087 . 6 1 1 A 92 92 ASP N N 92 124.100 128.228 -4.128 1
1 1088 . 6 1 1 A 93 93 LYS H H 93 8.530 8.697 -0.167 1
1 1089 . 6 1 1 A 93 93 LYS HA H 93 4.240 4.412 -0.172 1
1 1098 . 6 1 1 A 93 93 LYS CA C 93 57.100 57.542 -0.442 1
1 1099 . 6 1 1 A 93 93 LYS CB C 93 32.900 32.487 0.413 1
1 1103 . 6 1 1 A 93 93 LYS N N 93 123.200 119.497 3.703 1
1 1104 . 6 1 1 A 94 94 ASN H H 94 8.590 8.031 0.559 1
1 1105 . 6 1 1 A 94 94 ASN HA H 94 4.680 4.746 -0.066 1
1 1110 . 6 1 1 A 94 94 ASN CA C 94 53.300 52.563 0.737 1
1 1111 . 6 1 1 A 94 94 ASN CB C 94 38.700 38.207 0.493 1
1 1112 . 6 1 1 A 94 94 ASN N N 94 118.800 117.998 0.802 1
1 1114 . 6 1 1 A 95 95 ALA H H 95 8.110 7.841 0.269 1
1 1115 . 6 1 1 A 95 95 ALA HA H 95 4.270 4.185 0.085 1
1 1119 . 6 1 1 A 95 95 ALA CA C 95 53.160 54.120 -0.960 1
1 1120 . 6 1 1 A 95 95 ALA CB C 95 19.100 18.538 0.562 1
1 1121 . 6 1 1 A 95 95 ALA N N 95 123.990 121.570 2.420 1
1 1122 . 6 1 1 A 96 96 ASP H H 96 8.290 7.793 0.497 1
1 1123 . 6 1 1 A 96 96 ASP HA H 96 4.610 5.040 -0.430 1
1 1126 . 6 1 1 A 96 96 ASP CA C 96 54.400 52.841 1.559 1
1 1127 . 6 1 1 A 96 96 ASP CB C 96 41.300 44.527 -3.227 1
1 1128 . 6 1 1 A 96 96 ASP N N 96 119.100 117.735 1.365 1
1 1129 . 6 1 1 A 97 97 SER H H 97 8.150 8.575 -0.425 1
1 1130 . 6 1 1 A 97 97 SER HA H 97 4.380 4.816 -0.436 1
1 1133 . 6 1 1 A 97 97 SER CA C 97 58.600 57.446 1.154 1
1 1134 . 6 1 1 A 97 97 SER CB C 97 63.600 64.482 -0.882 1
1 1135 . 6 1 1 A 97 97 SER N N 97 115.800 118.240 -2.440 1
1 1136 . 6 1 1 A 98 98 LEU H H 98 8.240 7.813 0.427 1
1 1137 . 6 1 1 A 98 98 LEU HA H 98 4.260 4.429 -0.169 1
1 1147 . 6 1 1 A 98 98 LEU CA C 98 55.650 54.365 1.285 1
1 1148 . 6 1 1 A 98 98 LEU CB C 98 42.190 41.313 0.877 1
1 1152 . 6 1 1 A 98 98 LEU N N 98 123.500 123.433 0.067 1
1 1153 . 6 1 1 A 99 99 GLU H H 99 8.190 8.183 0.007 1
1 1154 . 6 1 1 A 99 99 GLU HA H 99 4.130 4.255 -0.125 1
1 1159 . 6 1 1 A 99 99 GLU CA C 99 56.850 58.249 -1.399 1
1 1160 . 6 1 1 A 99 99 GLU CB C 99 29.900 30.792 -0.892 1
1 1162 . 6 1 1 A 99 99 GLU N N 99 119.900 120.682 -0.782 1
1 1163 . 6 1 1 A 100 100 HIS H H 100 8.200 8.065 0.135 1
1 1164 . 6 1 1 A 100 100 HIS HA H 100 4.560 4.887 -0.327 1
1 1168 . 6 1 1 A 100 100 HIS CA C 100 55.835 54.330 1.505 1
1 1169 . 6 1 1 A 100 100 HIS CB C 100 30.370 29.428 0.942 1
1 13 . 7 1 1 A 2 2 VAL H H 2 8.440 7.532 0.908 1
1 14 . 7 1 1 A 2 2 VAL HA H 2 3.790 3.968 -0.178 1
1 22 . 7 1 1 A 2 2 VAL CA C 2 62.900 62.118 0.782 1
1 23 . 7 1 1 A 2 2 VAL CB C 2 32.100 29.878 2.222 1
1 26 . 7 1 1 A 2 2 VAL N N 2 125.800 115.278 10.522 1
1 27 . 7 1 1 A 3 3 LYS H H 3 8.980 8.220 0.760 1
1 28 . 7 1 1 A 3 3 LYS HA H 3 4.650 4.411 0.239 1
1 37 . 7 1 1 A 3 3 LYS CA C 3 57.100 57.022 0.078 1
1 38 . 7 1 1 A 3 3 LYS CB C 3 36.400 34.784 1.616 1
1 42 . 7 1 1 A 3 3 LYS N N 3 124.600 127.608 -3.008 1
1 43 . 7 1 1 A 4 4 THR H H 4 7.740 8.251 -0.511 1
1 44 . 7 1 1 A 4 4 THR HA H 4 4.310 4.398 -0.088 1
1 49 . 7 1 1 A 4 4 THR CA C 4 64.990 61.770 3.220 1
1 50 . 7 1 1 A 4 4 THR CB C 4 68.700 67.598 1.102 1
1 52 . 7 1 1 A 4 4 THR N N 4 117.900 114.301 3.599 1
1 53 . 7 1 1 A 5 5 LEU H H 5 8.460 8.836 -0.376 1
1 54 . 7 1 1 A 5 5 LEU HA H 5 4.850 5.038 -0.188 1
1 64 . 7 1 1 A 5 5 LEU CA C 5 52.700 53.689 -0.989 1
1 65 . 7 1 1 A 5 5 LEU CB C 5 45.190 46.246 -1.056 1
1 69 . 7 1 1 A 5 5 LEU N N 5 130.600 128.010 2.590 1
1 70 . 7 1 1 A 6 6 ARG H H 6 9.050 9.263 -0.213 1
1 71 . 7 1 1 A 6 6 ARG HA H 6 5.500 5.086 0.414 1
1 79 . 7 1 1 A 6 6 ARG CA C 6 54.350 54.395 -0.045 1
1 80 . 7 1 1 A 6 6 ARG CB C 6 33.080 33.654 -0.574 1
1 83 . 7 1 1 A 6 6 ARG N N 6 123.100 126.876 -3.776 1
1 85 . 7 1 1 A 7 7 LEU H H 7 8.290 9.048 -0.758 1
1 86 . 7 1 1 A 7 7 LEU HA H 7 4.870 5.014 -0.144 1
1 96 . 7 1 1 A 7 7 LEU CA C 7 52.270 54.037 -1.767 1
1 97 . 7 1 1 A 7 7 LEU CB C 7 43.800 42.031 1.769 1
1 101 . 7 1 1 A 7 7 LEU N N 7 121.300 128.247 -6.947 1
1 102 . 7 1 1 A 8 8 ASN H H 8 9.220 9.447 -0.227 1
1 103 . 7 1 1 A 8 8 ASN HA H 8 4.580 4.614 -0.034 1
1 108 . 7 1 1 A 8 8 ASN CA C 8 54.180 55.208 -1.028 1
1 109 . 7 1 1 A 8 8 ASN CB C 8 36.400 38.119 -1.719 1
1 110 . 7 1 1 A 8 8 ASN N N 8 121.700 123.912 -2.212 1
1 112 . 7 1 1 A 9 9 ASN HA H 9 4.180 4.823 -0.643 1
1 117 . 7 1 1 A 9 9 ASN CA C 9 54.800 52.726 2.074 1
1 118 . 7 1 1 A 9 9 ASN CB C 9 38.200 39.225 -1.025 1
1 120 . 7 1 1 A 10 10 VAL H H 10 8.220 8.032 0.188 1
1 121 . 7 1 1 A 10 10 VAL HA H 10 4.090 4.214 -0.124 1
1 129 . 7 1 1 A 10 10 VAL CA C 10 62.820 61.657 1.163 1
1 130 . 7 1 1 A 10 10 VAL CB C 10 32.450 32.123 0.327 1
1 133 . 7 1 1 A 10 10 VAL N N 10 124.500 120.869 3.631 1
1 134 . 7 1 1 A 11 11 THR H H 11 8.496 8.757 -0.261 1
1 135 . 7 1 1 A 11 11 THR HA H 11 4.670 4.349 0.321 1
1 140 . 7 1 1 A 11 11 THR CA C 11 63.830 63.418 0.412 1
1 141 . 7 1 1 A 11 11 THR CB C 11 68.980 69.460 -0.480 1
1 143 . 7 1 1 A 11 11 THR N N 11 123.600 123.836 -0.236 1
1 144 . 7 1 1 A 12 12 LEU H H 12 9.700 8.925 0.775 1
1 145 . 7 1 1 A 12 12 LEU HA H 12 4.670 5.113 -0.443 1
1 155 . 7 1 1 A 12 12 LEU CA C 12 53.480 53.605 -0.125 1
1 156 . 7 1 1 A 12 12 LEU CB C 12 46.060 45.478 0.582 1
1 160 . 7 1 1 A 12 12 LEU N N 12 129.900 129.832 0.068 1
1 161 . 7 1 1 A 13 13 GLU H H 13 8.500 8.856 -0.356 1
1 162 . 7 1 1 A 13 13 GLU HA H 13 4.850 5.141 -0.291 1
1 167 . 7 1 1 A 13 13 GLU CA C 13 54.500 54.675 -0.175 1
1 168 . 7 1 1 A 13 13 GLU CB C 13 31.600 33.361 -1.761 1
1 170 . 7 1 1 A 13 13 GLU N N 13 121.100 126.111 -5.011 1
1 171 . 7 1 1 A 14 14 MET H H 14 9.340 8.603 0.737 1
1 172 . 7 1 1 A 14 14 MET HA H 14 4.750 5.123 -0.373 1
1 180 . 7 1 1 A 14 14 MET CA C 14 55.380 53.805 1.575 1
1 181 . 7 1 1 A 14 14 MET CB C 14 33.823 35.681 -1.858 1
1 184 . 7 1 1 A 14 14 MET N N 14 124.300 122.130 2.170 1
1 185 . 7 1 1 A 15 15 ALA H H 15 9.040 9.081 -0.041 1
1 186 . 7 1 1 A 15 15 ALA HA H 15 4.490 4.576 -0.086 1
1 190 . 7 1 1 A 15 15 ALA CA C 15 52.570 53.462 -0.892 1
1 191 . 7 1 1 A 15 15 ALA CB C 15 19.870 21.520 -1.650 1
1 192 . 7 1 1 A 15 15 ALA N N 15 125.900 121.623 4.277 1
1 193 . 7 1 1 A 16 16 ALA H H 16 7.880 7.868 0.012 1
1 194 . 7 1 1 A 16 16 ALA HA H 16 4.526 4.605 -0.079 1
1 198 . 7 1 1 A 16 16 ALA CA C 16 52.580 51.034 1.546 1
1 199 . 7 1 1 A 16 16 ALA CB C 16 21.400 19.252 2.148 1
1 200 . 7 1 1 A 16 16 ALA N N 16 119.400 119.568 -0.168 1
1 201 . 7 1 1 A 17 17 TYR H H 17 8.270 9.257 -0.987 1
1 202 . 7 1 1 A 17 17 TYR HA H 17 5.290 4.814 0.476 1
1 209 . 7 1 1 A 17 17 TYR CA C 17 59.160 58.520 0.640 1
1 210 . 7 1 1 A 17 17 TYR CB C 17 41.700 38.540 3.160 1
1 215 . 7 1 1 A 17 17 TYR N N 17 120.300 126.903 -6.603 1
1 216 . 7 1 1 A 18 18 GLN H H 18 8.610 8.475 0.135 1
1 217 . 7 1 1 A 18 18 GLN HA H 18 4.350 4.864 -0.514 1
1 224 . 7 1 1 A 18 18 GLN CA C 18 54.920 54.535 0.385 1
1 225 . 7 1 1 A 18 18 GLN CB C 18 32.570 31.407 1.163 1
1 227 . 7 1 1 A 18 18 GLN N N 18 128.000 127.362 0.638 1
1 229 . 7 1 1 A 19 19 GLU H H 19 8.370 8.945 -0.575 1
1 230 . 7 1 1 A 19 19 GLU HA H 19 5.015 5.427 -0.412 1
1 235 . 7 1 1 A 19 19 GLU CA C 19 54.700 54.681 0.019 1
1 236 . 7 1 1 A 19 19 GLU CB C 19 34.800 32.281 2.519 1
1 238 . 7 1 1 A 19 19 GLU N N 19 122.900 124.122 -1.222 1
1 239 . 7 1 1 A 20 20 GLU H H 20 8.920 8.873 0.047 1
1 240 . 7 1 1 A 20 20 GLU HA H 20 4.740 4.517 0.223 1
1 245 . 7 1 1 A 20 20 GLU CA C 20 55.100 55.606 -0.506 1
1 246 . 7 1 1 A 20 20 GLU CB C 20 33.800 29.670 4.130 1
1 248 . 7 1 1 A 20 20 GLU N N 20 123.300 124.699 -1.399 1
1 249 . 7 1 1 A 21 21 SER H H 21 9.070 8.910 0.160 1
1 250 . 7 1 1 A 21 21 SER HA H 21 4.430 4.408 0.022 1
1 253 . 7 1 1 A 21 21 SER CA C 21 59.300 60.168 -0.868 1
1 254 . 7 1 1 A 21 21 SER CB C 21 65.000 63.377 1.623 1
1 255 . 7 1 1 A 21 21 SER N N 21 114.800 121.256 -6.456 1
1 256 . 7 1 1 A 22 22 GLU H H 22 7.670 7.458 0.212 1
1 257 . 7 1 1 A 22 22 GLU HA H 22 4.500 4.520 -0.020 1
1 262 . 7 1 1 A 22 22 GLU CA C 22 53.100 54.944 -1.844 1
1 263 . 7 1 1 A 22 22 GLU CB C 22 31.750 28.971 2.779 1
1 265 . 7 1 1 A 22 22 GLU N N 22 119.913 122.466 -2.553 1
1 266 . 7 1 1 A 23 23 PRO HA H 23 4.636 4.266 0.370 1
1 273 . 7 1 1 A 23 23 PRO CA C 23 64.200 65.385 -1.185 1
1 274 . 7 1 1 A 23 23 PRO CB C 23 34.200 31.669 2.531 1
1 277 . 7 1 1 A 24 24 LYS H H 24 7.370 8.988 -1.618 1
1 278 . 7 1 1 A 24 24 LYS HA H 24 4.480 4.564 -0.084 1
1 287 . 7 1 1 A 24 24 LYS CA C 24 54.200 55.589 -1.389 1
1 288 . 7 1 1 A 24 24 LYS CB C 24 36.400 34.822 1.578 1
1 292 . 7 1 1 A 24 24 LYS N N 24 119.400 115.527 3.873 1
1 293 . 7 1 1 A 25 25 ARG H H 25 8.730 8.652 0.078 1
1 294 . 7 1 1 A 25 25 ARG HA H 25 4.470 4.996 -0.526 1
1 302 . 7 1 1 A 25 25 ARG CA C 25 57.000 56.757 0.243 1
1 303 . 7 1 1 A 25 25 ARG CB C 25 28.900 30.504 -1.604 1
1 306 . 7 1 1 A 25 25 ARG N N 25 121.900 126.371 -4.471 1
1 308 . 7 1 1 A 26 26 LYS H H 26 8.220 8.750 -0.530 1
1 309 . 7 1 1 A 26 26 LYS HA H 26 5.270 4.734 0.536 1
1 318 . 7 1 1 A 26 26 LYS CA C 26 55.000 55.176 -0.176 1
1 319 . 7 1 1 A 26 26 LYS CB C 26 36.900 33.503 3.397 1
1 323 . 7 1 1 A 26 26 LYS N N 26 124.500 127.713 -3.213 1
1 324 . 7 1 1 A 27 27 ILE H H 27 9.100 8.899 0.201 1
1 325 . 7 1 1 A 27 27 ILE HA H 27 5.320 4.328 0.992 1
1 335 . 7 1 1 A 27 27 ILE CA C 27 59.000 60.637 -1.637 1
1 336 . 7 1 1 A 27 27 ILE CB C 27 42.480 37.324 5.156 1
1 340 . 7 1 1 A 27 27 ILE N N 27 116.400 128.558 -12.158 1
1 341 . 7 1 1 A 28 28 ALA H H 28 8.730 8.941 -0.211 1
1 342 . 7 1 1 A 28 28 ALA HA H 28 5.460 4.741 0.719 1
1 346 . 7 1 1 A 28 28 ALA CA C 28 50.600 50.227 0.373 1
1 347 . 7 1 1 A 28 28 ALA CB C 28 21.960 19.805 2.155 1
1 348 . 7 1 1 A 28 28 ALA N N 28 124.900 130.820 -5.920 1
1 349 . 7 1 1 A 29 29 PHE H H 29 8.750 8.146 0.604 1
1 350 . 7 1 1 A 29 29 PHE HA H 29 5.420 5.229 0.191 1
1 355 . 7 1 1 A 29 29 PHE CA C 29 55.680 55.612 0.068 1
1 356 . 7 1 1 A 29 29 PHE CB C 29 43.100 40.664 2.436 1
1 359 . 7 1 1 A 29 29 PHE N N 29 118.800 120.865 -2.065 1
1 360 . 7 1 1 A 30 30 THR H H 30 7.980 9.328 -1.348 1
1 361 . 7 1 1 A 30 30 THR HA H 30 5.690 4.782 0.908 1
1 366 . 7 1 1 A 30 30 THR CA C 30 59.900 62.689 -2.789 1
1 367 . 7 1 1 A 30 30 THR CB C 30 71.130 69.357 1.773 1
1 369 . 7 1 1 A 30 30 THR N N 30 114.100 119.899 -5.799 1
1 370 . 7 1 1 A 31 31 LEU H H 31 9.360 9.257 0.103 1
1 371 . 7 1 1 A 31 31 LEU HA H 31 5.020 5.141 -0.121 1
1 381 . 7 1 1 A 31 31 LEU CA C 31 52.990 54.366 -1.376 1
1 382 . 7 1 1 A 31 31 LEU CB C 31 45.400 44.815 0.585 1
1 386 . 7 1 1 A 31 31 LEU N N 31 125.300 129.692 -4.392 1
1 387 . 7 1 1 A 32 32 ASN H H 32 9.160 8.758 0.402 1
1 388 . 7 1 1 A 32 32 ASN HA H 32 5.210 4.919 0.291 1
1 393 . 7 1 1 A 32 32 ASN CA C 32 52.660 52.628 0.032 1
1 394 . 7 1 1 A 32 32 ASN CB C 32 38.600 38.803 -0.203 1
1 395 . 7 1 1 A 32 32 ASN N N 32 123.600 124.862 -1.262 1
1 397 . 7 1 1 A 33 33 VAL H H 33 8.880 9.517 -0.637 1
1 398 . 7 1 1 A 33 33 VAL HA H 33 4.080 4.285 -0.205 1
1 406 . 7 1 1 A 33 33 VAL CA C 33 61.940 61.666 0.274 1
1 407 . 7 1 1 A 33 33 VAL CB C 33 34.600 31.203 3.397 1
1 410 . 7 1 1 A 33 33 VAL N N 33 124.500 127.209 -2.709 1
1 411 . 7 1 1 A 34 34 THR H H 34 7.650 8.142 -0.492 1
1 412 . 7 1 1 A 34 34 THR HA H 34 5.130 4.872 0.258 1
1 417 . 7 1 1 A 34 34 THR CA C 34 59.200 59.882 -0.682 1
1 418 . 7 1 1 A 34 34 THR CB C 34 72.830 71.621 1.209 1
1 420 . 7 1 1 A 34 34 THR N N 34 114.300 118.205 -3.905 1
1 421 . 7 1 1 A 35 35 SER H H 35 9.330 8.888 0.442 1
1 422 . 7 1 1 A 35 35 SER HA H 35 4.020 4.157 -0.137 1
1 425 . 7 1 1 A 35 35 SER CA C 35 62.000 60.391 1.609 1
1 426 . 7 1 1 A 35 35 SER CB C 35 62.400 62.964 -0.564 1
1 427 . 7 1 1 A 35 35 SER N N 35 116.200 117.186 -0.986 1
1 428 . 7 1 1 A 36 36 GLU H H 36 8.360 7.480 0.880 1
1 429 . 7 1 1 A 36 36 GLU HA H 36 4.330 4.230 0.100 1
1 434 . 7 1 1 A 36 36 GLU CA C 36 58.900 58.997 -0.097 1
1 435 . 7 1 1 A 36 36 GLU CB C 36 30.200 30.242 -0.042 1
1 437 . 7 1 1 A 36 36 GLU N N 36 119.200 121.152 -1.952 1
1 438 . 7 1 1 A 37 37 THR H H 37 7.580 7.638 -0.058 1
1 439 . 7 1 1 A 37 37 THR HA H 37 4.650 4.146 0.504 1
1 444 . 7 1 1 A 37 37 THR CA C 37 61.620 64.996 -3.376 1
1 445 . 7 1 1 A 37 37 THR CB C 37 70.630 68.413 2.217 1
1 447 . 7 1 1 A 37 37 THR N N 37 108.800 111.988 -3.188 1
1 448 . 7 1 1 A 38 38 TYR H H 38 7.990 7.892 0.098 1
1 449 . 7 1 1 A 38 38 TYR HA H 38 3.890 4.092 -0.202 1
1 456 . 7 1 1 A 38 38 TYR CA C 38 61.980 61.701 0.279 1
1 457 . 7 1 1 A 38 38 TYR CB C 38 38.600 38.515 0.085 1
1 462 . 7 1 1 A 38 38 TYR N N 38 121.700 124.527 -2.827 1
1 463 . 7 1 1 A 39 39 HIS H H 39 8.770 7.527 1.243 1
1 464 . 7 1 1 A 39 39 HIS HA H 39 3.950 4.172 -0.222 1
1 468 . 7 1 1 A 39 39 HIS CA C 39 60.450 59.992 0.458 1
1 469 . 7 1 1 A 39 39 HIS CB C 39 28.350 29.701 -1.351 1
1 471 . 7 1 1 A 39 39 HIS N N 39 116.400 117.873 -1.473 1
1 472 . 7 1 1 A 40 40 ASP H H 40 8.180 7.746 0.434 1
1 473 . 7 1 1 A 40 40 ASP HA H 40 4.280 4.512 -0.232 1
1 476 . 7 1 1 A 40 40 ASP CA C 40 57.230 56.978 0.252 1
1 477 . 7 1 1 A 40 40 ASP CB C 40 39.980 41.042 -1.062 1
1 478 . 7 1 1 A 40 40 ASP N N 40 117.200 117.578 -0.378 1
1 479 . 7 1 1 A 41 41 ILE H H 41 7.700 7.734 -0.034 1
1 480 . 7 1 1 A 41 41 ILE HA H 41 3.740 4.092 -0.352 1
1 490 . 7 1 1 A 41 41 ILE CA C 41 63.400 62.616 0.784 1
1 491 . 7 1 1 A 41 41 ILE CB C 41 37.000 37.552 -0.552 1
1 495 . 7 1 1 A 41 41 ILE N N 41 120.600 120.032 0.568 1
1 496 . 7 1 1 A 42 42 ALA H H 42 8.630 7.477 1.153 1
1 497 . 7 1 1 A 42 42 ALA HA H 42 3.790 4.011 -0.221 1
1 501 . 7 1 1 A 42 42 ALA CA C 42 55.780 53.982 1.798 1
1 502 . 7 1 1 A 42 42 ALA CB C 42 17.400 17.820 -0.420 1
1 503 . 7 1 1 A 42 42 ALA N N 42 122.900 124.115 -1.215 1
1 504 . 7 1 1 A 43 43 VAL H H 43 7.650 7.310 0.340 1
1 505 . 7 1 1 A 43 43 VAL HA H 43 3.390 3.864 -0.474 1
1 513 . 7 1 1 A 43 43 VAL CA C 43 65.700 64.644 1.056 1
1 514 . 7 1 1 A 43 43 VAL CB C 43 31.740 32.674 -0.934 1
1 517 . 7 1 1 A 43 43 VAL N N 43 114.600 115.915 -1.315 1
1 518 . 7 1 1 A 44 44 LEU H H 44 7.250 7.310 -0.060 1
1 519 . 7 1 1 A 44 44 LEU HA H 44 4.300 4.331 -0.031 1
1 529 . 7 1 1 A 44 44 LEU CA C 44 57.900 54.163 3.737 1
1 530 . 7 1 1 A 44 44 LEU CB C 44 42.250 41.480 0.770 1
1 534 . 7 1 1 A 44 44 LEU N N 44 122.800 121.905 0.895 1
1 535 . 7 1 1 A 45 45 LEU H H 45 8.060 8.480 -0.420 1
1 536 . 7 1 1 A 45 45 LEU HA H 45 4.430 4.483 -0.053 1
1 546 . 7 1 1 A 45 45 LEU CA C 45 55.200 53.440 1.760 1
1 547 . 7 1 1 A 45 45 LEU CB C 45 41.600 41.183 0.417 1
1 551 . 7 1 1 A 46 46 TYR H H 46 8.040 8.369 -0.329 1
1 552 . 7 1 1 A 46 46 TYR HA H 46 5.380 4.559 0.821 1
1 559 . 7 1 1 A 46 46 TYR CA C 46 56.900 58.876 -1.976 1
1 560 . 7 1 1 A 46 46 TYR CB C 46 40.500 36.065 4.435 1
1 565 . 7 1 1 A 46 46 TYR N N 46 122.700 123.146 -0.446 1
1 566 . 7 1 1 A 47 47 GLU HA H 47 4.000 4.240 -0.240 1
1 571 . 7 1 1 A 47 47 GLU CA C 47 57.700 55.718 1.982 1
1 572 . 7 1 1 A 47 47 GLU CB C 47 29.800 30.394 -0.594 1
1 574 . 7 1 1 A 48 48 LYS HA H 48 4.660 3.985 0.675 1
1 583 . 7 1 1 A 48 48 LYS CA C 48 57.450 59.221 -1.771 1
1 584 . 7 1 1 A 48 48 LYS CB C 48 36.800 32.818 3.982 1
1 588 . 7 1 1 A 49 49 THR H H 49 7.540 7.826 -0.286 1
1 589 . 7 1 1 A 49 49 THR HA H 49 4.830 5.046 -0.216 1
1 594 . 7 1 1 A 49 49 THR CA C 49 60.360 59.443 0.917 1
1 595 . 7 1 1 A 49 49 THR CB C 49 70.850 72.097 -1.247 1
1 597 . 7 1 1 A 49 49 THR N N 49 115.800 109.803 5.997 1
1 598 . 7 1 1 A 50 50 PHE H H 50 9.030 9.642 -0.612 1
1 599 . 7 1 1 A 50 50 PHE HA H 50 5.150 5.167 -0.017 1
1 606 . 7 1 1 A 50 50 PHE CA C 50 55.680 56.055 -0.375 1
1 607 . 7 1 1 A 50 50 PHE CB C 50 44.220 42.278 1.942 1
1 612 . 7 1 1 A 50 50 PHE N N 50 118.300 119.465 -1.165 1
1 613 . 7 1 1 A 51 51 ASN H H 51 8.810 8.807 0.003 1
1 614 . 7 1 1 A 51 51 ASN HA H 51 4.920 4.789 0.131 1
1 619 . 7 1 1 A 51 51 ASN CA C 51 53.960 52.356 1.604 1
1 620 . 7 1 1 A 51 51 ASN CB C 51 37.900 38.153 -0.253 1
1 621 . 7 1 1 A 51 51 ASN N N 51 121.100 122.852 -1.752 1
1 623 . 7 1 1 A 52 52 VAL H H 52 9.140 8.597 0.543 1
1 624 . 7 1 1 A 52 52 VAL HA H 52 4.370 4.409 -0.039 1
1 632 . 7 1 1 A 52 52 VAL CA C 52 61.660 62.492 -0.832 1
1 633 . 7 1 1 A 52 52 VAL CB C 52 32.590 31.127 1.463 1
1 636 . 7 1 1 A 52 52 VAL N N 52 129.300 126.203 3.097 1
1 637 . 7 1 1 A 53 53 GLU H H 53 9.020 9.150 -0.130 1
1 638 . 7 1 1 A 53 53 GLU HA H 53 5.090 5.144 -0.054 1
1 643 . 7 1 1 A 53 53 GLU CA C 53 55.500 54.906 0.594 1
1 644 . 7 1 1 A 53 53 GLU CB C 53 31.940 31.399 0.541 1
1 646 . 7 1 1 A 53 53 GLU N N 53 125.400 129.171 -3.771 1
1 647 . 7 1 1 A 54 54 VAL H H 54 8.840 8.925 -0.085 1
1 648 . 7 1 1 A 54 54 VAL HA H 54 4.680 4.683 -0.003 1
1 656 . 7 1 1 A 54 54 VAL CA C 54 58.900 58.972 -0.072 1
1 657 . 7 1 1 A 54 54 VAL CB C 54 31.900 33.364 -1.464 1
1 660 . 7 1 1 A 54 54 VAL N N 54 123.100 126.848 -3.748 1
1 661 . 7 1 1 A 55 55 PRO HA H 55 4.480 4.368 0.112 1
1 668 . 7 1 1 A 55 55 PRO CA C 55 65.720 64.689 1.031 1
1 669 . 7 1 1 A 55 55 PRO CB C 55 32.040 31.959 0.081 1
1 672 . 7 1 1 A 56 56 GLU H H 56 10.050 8.385 1.665 1
1 673 . 7 1 1 A 56 56 GLU HA H 56 4.145 4.161 -0.016 1
1 678 . 7 1 1 A 56 56 GLU CA C 56 58.580 59.015 -0.435 1
1 679 . 7 1 1 A 56 56 GLU CB C 56 30.000 29.207 0.793 1
1 681 . 7 1 1 A 56 56 GLU N N 56 118.000 117.763 0.237 1
1 682 . 7 1 1 A 57 57 ARG H H 57 7.550 7.444 0.106 1
1 683 . 7 1 1 A 57 57 ARG HA H 57 4.480 4.519 -0.039 1
1 691 . 7 1 1 A 57 57 ARG CA C 57 52.560 54.209 -1.649 1
1 692 . 7 1 1 A 57 57 ARG CB C 57 29.990 31.087 -1.097 1
1 695 . 7 1 1 A 57 57 ARG N N 57 116.400 117.224 -0.824 1
1 697 . 7 1 1 A 58 58 ASP H H 58 7.920 7.981 -0.061 1
1 698 . 7 1 1 A 58 58 ASP HA H 58 4.250 4.156 0.094 1
1 701 . 7 1 1 A 58 58 ASP CA C 58 55.420 55.441 -0.021 1
1 702 . 7 1 1 A 58 58 ASP CB C 58 39.860 39.063 0.797 1
1 703 . 7 1 1 A 58 58 ASP N N 58 118.400 117.082 1.318 1
1 704 . 7 1 1 A 59 59 LEU H H 59 6.930 7.832 -0.902 1
1 705 . 7 1 1 A 59 59 LEU HA H 59 4.770 4.922 -0.152 1
1 715 . 7 1 1 A 59 59 LEU CA C 59 53.830 53.853 -0.023 1
1 716 . 7 1 1 A 59 59 LEU CB C 59 45.800 44.530 1.270 1
1 720 . 7 1 1 A 59 59 LEU N N 59 116.500 118.932 -2.432 1
1 721 . 7 1 1 A 60 60 ALA H H 60 8.690 9.051 -0.361 1
1 722 . 7 1 1 A 60 60 ALA HA H 60 5.353 4.901 0.452 1
1 726 . 7 1 1 A 60 60 ALA CA C 60 52.020 50.605 1.415 1
1 727 . 7 1 1 A 60 60 ALA CB C 60 21.060 19.705 1.355 1
1 728 . 7 1 1 A 60 60 ALA N N 60 130.000 130.713 -0.713 1
1 729 . 7 1 1 A 61 61 PHE H H 61 8.470 9.195 -0.725 1
1 730 . 7 1 1 A 61 61 PHE HA H 61 4.933 5.188 -0.255 1
1 737 . 7 1 1 A 61 61 PHE CA C 61 56.500 56.671 -0.171 1
1 738 . 7 1 1 A 61 61 PHE CB C 61 39.720 43.113 -3.393 1
1 743 . 7 1 1 A 61 61 PHE N N 61 117.500 124.202 -6.702 1
1 744 . 7 1 1 A 62 62 ARG H H 62 9.270 7.691 1.579 1
1 745 . 7 1 1 A 62 62 ARG HA H 62 5.290 5.318 -0.028 1
1 753 . 7 1 1 A 62 62 ARG CA C 62 54.950 54.083 0.867 1
1 754 . 7 1 1 A 62 62 ARG CB C 62 30.800 33.642 -2.842 1
1 757 . 7 1 1 A 62 62 ARG N N 62 122.500 125.703 -3.203 1
1 759 . 7 1 1 A 63 63 GLY H H 63 9.370 9.493 -0.123 1
1 760 . 7 1 1 A 63 63 GLY HA2 H 63 5.440 4.303 1.137 1
1 761 . 7 1 1 A 63 63 GLY HA3 H 63 3.460 4.434 -0.974 1
1 762 . 7 1 1 A 63 63 GLY CA C 63 45.000 44.354 0.646 1
1 763 . 7 1 1 A 63 63 GLY N N 63 112.700 112.147 0.553 1
1 764 . 7 1 1 A 64 64 GLU H H 64 9.090 9.007 0.083 1
1 765 . 7 1 1 A 64 64 GLU HA H 64 5.410 5.245 0.165 1
1 770 . 7 1 1 A 64 64 GLU CA C 64 53.160 54.429 -1.269 1
1 771 . 7 1 1 A 64 64 GLU CB C 64 33.500 33.631 -0.131 1
1 773 . 7 1 1 A 64 64 GLU N N 64 118.400 116.947 1.453 1
1 774 . 7 1 1 A 65 65 MET H H 65 9.320 8.864 0.456 1
1 775 . 7 1 1 A 65 65 MET HA H 65 5.070 4.463 0.607 1
1 783 . 7 1 1 A 65 65 MET CA C 65 56.700 54.404 2.296 1
1 784 . 7 1 1 A 65 65 MET CB C 65 34.500 31.984 2.516 1
1 787 . 7 1 1 A 65 65 MET N N 65 124.900 121.908 2.992 1
1 788 . 7 1 1 A 66 66 THR H H 66 8.970 8.594 0.376 1
1 789 . 7 1 1 A 66 66 THR HA H 66 4.480 4.357 0.123 1
1 794 . 7 1 1 A 66 66 THR CA C 66 61.970 62.324 -0.354 1
1 795 . 7 1 1 A 66 66 THR CB C 66 69.160 69.132 0.028 1
1 797 . 7 1 1 A 66 66 THR N N 66 120.300 116.365 3.935 1
1 798 . 7 1 1 A 67 67 ASN H H 67 7.850 7.424 0.426 1
1 799 . 7 1 1 A 67 67 ASN HA H 67 4.850 4.984 -0.134 1
1 804 . 7 1 1 A 67 67 ASN CA C 67 54.240 51.593 2.647 1
1 805 . 7 1 1 A 67 67 ASN CB C 67 41.900 43.184 -1.284 1
1 806 . 7 1 1 A 67 67 ASN N N 67 119.200 118.116 1.084 1
1 808 . 7 1 1 A 68 68 TYR H H 68 8.720 8.870 -0.150 1
1 809 . 7 1 1 A 68 68 TYR HA H 68 4.611 4.736 -0.125 1
1 812 . 7 1 1 A 68 68 TYR CA C 68 54.600 57.068 -2.468 1
1 813 . 7 1 1 A 68 68 TYR CB C 68 41.180 36.872 4.308 1
1 814 . 7 1 1 A 68 68 TYR N N 68 123.200 121.039 2.161 1
1 815 . 7 1 1 A 69 69 SER H H 69 8.160 8.576 -0.416 1
1 816 . 7 1 1 A 69 69 SER HA H 69 4.450 5.424 -0.974 1
1 819 . 7 1 1 A 69 69 SER CA C 69 58.913 56.519 2.394 1
1 820 . 7 1 1 A 69 69 SER CB C 69 65.000 64.895 0.105 1
1 821 . 7 1 1 A 69 69 SER N N 69 115.000 120.412 -5.412 1
1 822 . 7 1 1 A 70 70 THR H H 70 8.250 8.912 -0.662 1
1 823 . 7 1 1 A 70 70 THR HA H 70 4.200 5.025 -0.825 1
1 828 . 7 1 1 A 70 70 THR CA C 70 62.200 61.665 0.535 1
1 829 . 7 1 1 A 70 70 THR CB C 70 70.060 71.310 -1.250 1
1 831 . 7 1 1 A 70 70 THR N N 70 111.000 121.689 -10.689 1
1 832 . 7 1 1 A 71 71 SER HA H 71 4.610 4.873 -0.263 1
1 835 . 7 1 1 A 71 71 SER CA C 71 58.100 56.979 1.121 1
1 836 . 7 1 1 A 71 71 SER CB C 71 63.600 64.408 -0.808 1
1 837 . 7 1 1 A 72 72 LEU H H 72 8.290 9.421 -1.131 1
1 838 . 7 1 1 A 72 72 LEU HA H 72 4.300 4.235 0.065 1
1 847 . 7 1 1 A 72 72 LEU CA C 72 56.500 57.068 -0.568 1
1 848 . 7 1 1 A 72 72 LEU CB C 72 40.600 40.793 -0.193 1
1 852 . 7 1 1 A 72 72 LEU N N 72 122.300 126.093 -3.793 1
1 853 . 7 1 1 A 73 73 THR H H 73 8.000 8.700 -0.700 1
1 854 . 7 1 1 A 73 73 THR HA H 73 5.110 4.420 0.690 1
1 859 . 7 1 1 A 73 73 THR CA C 73 59.300 63.724 -4.424 1
1 860 . 7 1 1 A 73 73 THR CB C 73 71.950 67.178 4.772 1
1 862 . 7 1 1 A 74 74 ASN H H 74 8.370 9.101 -0.731 1
1 863 . 7 1 1 A 74 74 ASN HA H 74 4.660 4.523 0.137 1
1 868 . 7 1 1 A 74 74 ASN CA C 74 52.780 54.733 -1.953 1
1 869 . 7 1 1 A 74 74 ASN CB C 74 38.360 36.672 1.688 1
1 870 . 7 1 1 A 74 74 ASN N N 74 121.500 115.332 6.168 1
1 872 . 7 1 1 A 75 75 LEU H H 75 8.020 8.365 -0.345 1
1 873 . 7 1 1 A 75 75 LEU HA H 75 3.970 3.846 0.124 1
1 883 . 7 1 1 A 75 75 LEU CA C 75 55.500 56.532 -1.032 1
1 884 . 7 1 1 A 75 75 LEU CB C 75 41.800 40.268 1.532 1
1 888 . 7 1 1 A 75 75 LEU N N 75 123.200 111.850 11.350 1
1 889 . 7 1 1 A 76 76 TYR H H 76 7.930 7.895 0.035 1
1 890 . 7 1 1 A 76 76 TYR HA H 76 4.450 5.036 -0.586 1
1 897 . 7 1 1 A 76 76 TYR CA C 76 58.000 59.026 -1.026 1
1 898 . 7 1 1 A 76 76 TYR CB C 76 37.700 40.050 -2.350 1
1 903 . 7 1 1 A 76 76 TYR N N 76 116.100 118.433 -2.333 1
1 904 . 7 1 1 A 77 77 GLU H H 77 7.410 8.227 -0.817 1
1 905 . 7 1 1 A 77 77 GLU HA H 77 4.650 4.569 0.081 1
1 910 . 7 1 1 A 77 77 GLU CA C 77 53.700 52.812 0.888 1
1 911 . 7 1 1 A 77 77 GLU CB C 77 30.200 30.791 -0.591 1
1 913 . 7 1 1 A 77 77 GLU N N 77 122.300 119.064 3.236 1
1 914 . 7 1 1 A 78 78 PRO HA H 78 4.340 4.513 -0.173 1
1 921 . 7 1 1 A 78 78 PRO CA C 78 64.000 65.168 -1.168 1
1 922 . 7 1 1 A 78 78 PRO CB C 78 31.740 31.664 0.076 1
1 925 . 7 1 1 A 79 79 GLY H H 79 8.980 7.396 1.584 1
1 926 . 7 1 1 A 79 79 GLY HA2 H 79 3.822 4.139 -0.317 1
1 927 . 7 1 1 A 79 79 GLY HA3 H 79 4.090 4.146 -0.056 1
1 928 . 7 1 1 A 79 79 GLY CA C 79 45.570 45.665 -0.095 1
1 929 . 7 1 1 A 79 79 GLY N N 79 112.300 105.254 7.046 1
1 930 . 7 1 1 A 80 80 ALA H H 80 7.670 8.455 -0.785 1
1 931 . 7 1 1 A 80 80 ALA HA H 80 4.300 4.319 -0.019 1
1 935 . 7 1 1 A 80 80 ALA CA C 80 52.880 53.008 -0.128 1
1 936 . 7 1 1 A 80 80 ALA CB C 80 20.670 20.889 -0.219 1
1 937 . 7 1 1 A 80 80 ALA N N 80 123.200 128.662 -5.462 1
1 938 . 7 1 1 A 81 81 VAL H H 81 8.280 7.802 0.478 1
1 939 . 7 1 1 A 81 81 VAL HA H 81 4.410 4.850 -0.440 1
1 947 . 7 1 1 A 81 81 VAL CA C 81 61.540 60.063 1.477 1
1 948 . 7 1 1 A 81 81 VAL CB C 81 34.000 35.520 -1.520 1
1 951 . 7 1 1 A 82 82 SER H H 82 8.970 8.751 0.219 1
1 952 . 7 1 1 A 82 82 SER HA H 82 4.685 4.970 -0.285 1
1 955 . 7 1 1 A 82 82 SER CA C 82 57.180 57.572 -0.392 1
1 956 . 7 1 1 A 82 82 SER CB C 82 65.200 67.547 -2.347 1
1 957 . 7 1 1 A 82 82 SER N N 82 122.000 123.190 -1.190 1
1 958 . 7 1 1 A 83 83 GLU H H 83 8.360 8.678 -0.318 1
1 959 . 7 1 1 A 83 83 GLU HA H 83 4.500 5.222 -0.722 1
1 964 . 7 1 1 A 83 83 GLU CA C 83 53.020 55.129 -2.109 1
1 965 . 7 1 1 A 83 83 GLU CB C 83 31.800 32.124 -0.324 1
1 967 . 7 1 1 A 83 83 GLU N N 83 122.800 121.083 1.717 1
1 968 . 7 1 1 A 84 84 PHE H H 84 9.160 9.444 -0.284 1
1 969 . 7 1 1 A 84 84 PHE HA H 84 4.920 4.942 -0.022 1
1 977 . 7 1 1 A 84 84 PHE CA C 84 54.840 57.325 -2.485 1
1 978 . 7 1 1 A 84 84 PHE CB C 84 40.690 39.020 1.670 1
1 984 . 7 1 1 A 84 84 PHE N N 84 123.800 124.296 -0.496 1
1 985 . 7 1 1 A 85 85 TYR H H 85 8.810 9.048 -0.238 1
1 986 . 7 1 1 A 85 85 TYR HA H 85 5.050 4.763 0.287 1
1 993 . 7 1 1 A 85 85 TYR CA C 85 56.190 56.658 -0.468 1
1 994 . 7 1 1 A 85 85 TYR CB C 85 37.800 38.467 -0.667 1
1 999 . 7 1 1 A 85 85 TYR N N 85 123.600 125.801 -2.201 1
1 1000 . 7 1 1 A 86 86 ILE H H 86 8.340 8.138 0.202 1
1 1001 . 7 1 1 A 86 86 ILE HA H 86 4.520 4.319 0.201 1
1 1011 . 7 1 1 A 86 86 ILE CA C 86 59.340 60.385 -1.045 1
1 1012 . 7 1 1 A 86 86 ILE CB C 86 40.300 36.477 3.823 1
1 1016 . 7 1 1 A 86 86 ILE N N 86 126.200 128.701 -2.501 1
1 1017 . 7 1 1 A 87 87 GLU H H 87 8.200 8.570 -0.370 1
1 1018 . 7 1 1 A 87 87 GLU HA H 87 5.330 4.676 0.654 1
1 1023 . 7 1 1 A 87 87 GLU CA C 87 54.500 55.129 -0.629 1
1 1024 . 7 1 1 A 87 87 GLU CB C 87 34.100 31.197 2.903 1
1 1026 . 7 1 1 A 87 87 GLU N N 87 124.600 128.000 -3.400 1
1 1027 . 7 1 1 A 88 88 ILE H H 88 9.250 9.529 -0.279 1
1 1028 . 7 1 1 A 88 88 ILE HA H 88 5.080 4.622 0.458 1
1 1038 . 7 1 1 A 88 88 ILE CA C 88 59.900 60.504 -0.604 1
1 1039 . 7 1 1 A 88 88 ILE CB C 88 42.100 39.558 2.542 1
1 1043 . 7 1 1 A 88 88 ILE N N 88 124.900 127.347 -2.447 1
1 1044 . 7 1 1 A 89 89 THR H H 89 9.020 8.520 0.500 1
1 1045 . 7 1 1 A 89 89 THR HA H 89 4.960 4.300 0.660 1
1 1050 . 7 1 1 A 89 89 THR CA C 89 61.600 62.681 -1.081 1
1 1051 . 7 1 1 A 89 89 THR CB C 89 70.000 69.360 0.640 1
1 1053 . 7 1 1 A 89 89 THR N N 89 122.900 123.585 -0.685 1
1 1054 . 7 1 1 A 90 90 GLU H H 90 8.910 8.044 0.866 1
1 1055 . 7 1 1 A 90 90 GLU HA H 90 4.730 4.380 0.350 1
1 1060 . 7 1 1 A 90 90 GLU CA C 90 57.300 57.310 -0.010 1
1 1061 . 7 1 1 A 90 90 GLU CB C 90 30.570 30.261 0.309 1
1 1063 . 7 1 1 A 90 90 GLU N N 90 128.600 124.137 4.463 1
1 1064 . 7 1 1 A 91 91 ILE H H 91 8.550 8.789 -0.239 1
1 1065 . 7 1 1 A 91 91 ILE HA H 91 4.230 4.028 0.202 1
1 1075 . 7 1 1 A 91 91 ILE CA C 91 61.400 62.162 -0.762 1
1 1076 . 7 1 1 A 91 91 ILE CB C 91 39.800 38.172 1.628 1
1 1080 . 7 1 1 A 91 91 ILE N N 91 124.600 126.398 -1.798 1
1 1081 . 7 1 1 A 92 92 ASP H H 92 8.550 8.940 -0.390 1
1 1082 . 7 1 1 A 92 92 ASP HA H 92 4.612 4.575 0.037 1
1 1085 . 7 1 1 A 92 92 ASP CA C 92 54.370 55.457 -1.087 1
1 1086 . 7 1 1 A 92 92 ASP CB C 92 41.570 40.200 1.370 1
1 1087 . 7 1 1 A 92 92 ASP N N 92 124.100 128.386 -4.286 1
1 1088 . 7 1 1 A 93 93 LYS H H 93 8.530 8.637 -0.107 1
1 1089 . 7 1 1 A 93 93 LYS HA H 93 4.240 4.431 -0.191 1
1 1098 . 7 1 1 A 93 93 LYS CA C 93 57.100 55.714 1.386 1
1 1099 . 7 1 1 A 93 93 LYS CB C 93 32.900 32.450 0.450 1
1 1103 . 7 1 1 A 93 93 LYS N N 93 123.200 124.383 -1.183 1
1 1104 . 7 1 1 A 94 94 ASN H H 94 8.590 8.158 0.432 1
1 1105 . 7 1 1 A 94 94 ASN HA H 94 4.680 4.477 0.203 1
1 1110 . 7 1 1 A 94 94 ASN CA C 94 53.300 54.646 -1.346 1
1 1111 . 7 1 1 A 94 94 ASN CB C 94 38.700 38.318 0.382 1
1 1112 . 7 1 1 A 94 94 ASN N N 94 118.800 116.712 2.088 1
1 1114 . 7 1 1 A 95 95 ALA H H 95 8.110 7.932 0.178 1
1 1115 . 7 1 1 A 95 95 ALA HA H 95 4.270 4.185 0.085 1
1 1119 . 7 1 1 A 95 95 ALA CA C 95 53.160 55.109 -1.949 1
1 1120 . 7 1 1 A 95 95 ALA CB C 95 19.100 18.698 0.402 1
1 1121 . 7 1 1 A 95 95 ALA N N 95 123.990 121.896 2.094 1
1 1122 . 7 1 1 A 96 96 ASP H H 96 8.290 7.942 0.348 1
1 1123 . 7 1 1 A 96 96 ASP HA H 96 4.610 4.746 -0.136 1
1 1126 . 7 1 1 A 96 96 ASP CA C 96 54.400 53.850 0.550 1
1 1127 . 7 1 1 A 96 96 ASP CB C 96 41.300 41.871 -0.571 1
1 1128 . 7 1 1 A 96 96 ASP N N 96 119.100 118.396 0.704 1
1 1129 . 7 1 1 A 97 97 SER H H 97 8.150 8.684 -0.534 1
1 1130 . 7 1 1 A 97 97 SER HA H 97 4.380 4.907 -0.527 1
1 1133 . 7 1 1 A 97 97 SER CA C 97 58.600 56.830 1.770 1
1 1134 . 7 1 1 A 97 97 SER CB C 97 63.600 63.963 -0.363 1
1 1135 . 7 1 1 A 97 97 SER N N 97 115.800 112.946 2.854 1
1 1136 . 7 1 1 A 98 98 LEU H H 98 8.240 7.336 0.904 1
1 1137 . 7 1 1 A 98 98 LEU HA H 98 4.260 4.308 -0.048 1
1 1147 . 7 1 1 A 98 98 LEU CA C 98 55.650 54.459 1.191 1
1 1148 . 7 1 1 A 98 98 LEU CB C 98 42.190 41.847 0.343 1
1 1152 . 7 1 1 A 98 98 LEU N N 98 123.500 124.740 -1.240 1
1 1153 . 7 1 1 A 99 99 GLU H H 99 8.190 8.629 -0.439 1
1 1154 . 7 1 1 A 99 99 GLU HA H 99 4.130 4.408 -0.278 1
1 1159 . 7 1 1 A 99 99 GLU CA C 99 56.850 56.620 0.230 1
1 1160 . 7 1 1 A 99 99 GLU CB C 99 29.900 30.295 -0.395 1
1 1162 . 7 1 1 A 99 99 GLU N N 99 119.900 120.545 -0.645 1
1 1163 . 7 1 1 A 100 100 HIS H H 100 8.200 8.763 -0.563 1
1 1164 . 7 1 1 A 100 100 HIS HA H 100 4.560 4.411 0.149 1
1 1168 . 7 1 1 A 100 100 HIS CA C 100 55.835 58.294 -2.459 1
1 1169 . 7 1 1 A 100 100 HIS CB C 100 30.370 29.467 0.903 1
1 13 . 8 1 1 A 2 2 VAL H H 2 8.440 8.366 0.074 1
1 14 . 8 1 1 A 2 2 VAL HA H 2 3.790 4.239 -0.449 1
1 22 . 8 1 1 A 2 2 VAL CA C 2 62.900 62.848 0.052 1
1 23 . 8 1 1 A 2 2 VAL CB C 2 32.100 30.165 1.935 1
1 26 . 8 1 1 A 2 2 VAL N N 2 125.800 116.263 9.537 1
1 27 . 8 1 1 A 3 3 LYS H H 3 8.980 9.343 -0.363 1
1 28 . 8 1 1 A 3 3 LYS HA H 3 4.650 4.284 0.366 1
1 37 . 8 1 1 A 3 3 LYS CA C 3 57.100 57.810 -0.710 1
1 38 . 8 1 1 A 3 3 LYS CB C 3 36.400 32.789 3.611 1
1 42 . 8 1 1 A 3 3 LYS N N 3 124.600 126.444 -1.844 1
1 43 . 8 1 1 A 4 4 THR H H 4 7.740 8.181 -0.441 1
1 44 . 8 1 1 A 4 4 THR HA H 4 4.310 4.324 -0.014 1
1 49 . 8 1 1 A 4 4 THR CA C 4 64.990 61.724 3.266 1
1 50 . 8 1 1 A 4 4 THR CB C 4 68.700 67.319 1.381 1
1 52 . 8 1 1 A 4 4 THR N N 4 117.900 114.725 3.175 1
1 53 . 8 1 1 A 5 5 LEU H H 5 8.460 8.501 -0.041 1
1 54 . 8 1 1 A 5 5 LEU HA H 5 4.850 4.752 0.098 1
1 64 . 8 1 1 A 5 5 LEU CA C 5 52.700 53.917 -1.217 1
1 65 . 8 1 1 A 5 5 LEU CB C 5 45.190 43.337 1.853 1
1 69 . 8 1 1 A 5 5 LEU N N 5 130.600 129.256 1.344 1
1 70 . 8 1 1 A 6 6 ARG H H 6 9.050 8.700 0.350 1
1 71 . 8 1 1 A 6 6 ARG HA H 6 5.500 5.046 0.454 1
1 79 . 8 1 1 A 6 6 ARG CA C 6 54.350 55.041 -0.691 1
1 80 . 8 1 1 A 6 6 ARG CB C 6 33.080 31.731 1.349 1
1 83 . 8 1 1 A 6 6 ARG N N 6 123.100 128.404 -5.304 1
1 85 . 8 1 1 A 7 7 LEU H H 7 8.290 8.592 -0.302 1
1 86 . 8 1 1 A 7 7 LEU HA H 7 4.870 4.973 -0.103 1
1 96 . 8 1 1 A 7 7 LEU CA C 7 52.270 53.690 -1.420 1
1 97 . 8 1 1 A 7 7 LEU CB C 7 43.800 42.854 0.946 1
1 101 . 8 1 1 A 7 7 LEU N N 7 121.300 128.068 -6.768 1
1 102 . 8 1 1 A 8 8 ASN H H 8 9.220 9.857 -0.637 1
1 103 . 8 1 1 A 8 8 ASN HA H 8 4.580 4.457 0.123 1
1 108 . 8 1 1 A 8 8 ASN CA C 8 54.180 54.666 -0.486 1
1 109 . 8 1 1 A 8 8 ASN CB C 8 36.400 37.060 -0.660 1
1 110 . 8 1 1 A 8 8 ASN N N 8 121.700 123.968 -2.268 1
1 112 . 8 1 1 A 9 9 ASN HA H 9 4.180 4.319 -0.139 1
1 117 . 8 1 1 A 9 9 ASN CA C 9 54.800 54.723 0.077 1
1 118 . 8 1 1 A 9 9 ASN CB C 9 38.200 37.174 1.026 1
1 120 . 8 1 1 A 10 10 VAL H H 10 8.220 7.928 0.292 1
1 121 . 8 1 1 A 10 10 VAL HA H 10 4.090 4.399 -0.309 1
1 129 . 8 1 1 A 10 10 VAL CA C 10 62.820 60.842 1.978 1
1 130 . 8 1 1 A 10 10 VAL CB C 10 32.450 33.512 -1.062 1
1 133 . 8 1 1 A 10 10 VAL N N 10 124.500 119.634 4.866 1
1 134 . 8 1 1 A 11 11 THR H H 11 8.496 8.815 -0.319 1
1 135 . 8 1 1 A 11 11 THR HA H 11 4.670 4.520 0.150 1
1 140 . 8 1 1 A 11 11 THR CA C 11 63.830 62.887 0.943 1
1 141 . 8 1 1 A 11 11 THR CB C 11 68.980 69.320 -0.340 1
1 143 . 8 1 1 A 11 11 THR N N 11 123.600 123.216 0.384 1
1 144 . 8 1 1 A 12 12 LEU H H 12 9.700 8.741 0.959 1
1 145 . 8 1 1 A 12 12 LEU HA H 12 4.670 5.138 -0.468 1
1 155 . 8 1 1 A 12 12 LEU CA C 12 53.480 53.496 -0.016 1
1 156 . 8 1 1 A 12 12 LEU CB C 12 46.060 46.742 -0.682 1
1 160 . 8 1 1 A 12 12 LEU N N 12 129.900 129.052 0.848 1
1 161 . 8 1 1 A 13 13 GLU H H 13 8.500 8.641 -0.141 1
1 162 . 8 1 1 A 13 13 GLU HA H 13 4.850 4.891 -0.041 1
1 167 . 8 1 1 A 13 13 GLU CA C 13 54.500 54.547 -0.047 1
1 168 . 8 1 1 A 13 13 GLU CB C 13 31.600 32.748 -1.148 1
1 170 . 8 1 1 A 13 13 GLU N N 13 121.100 124.945 -3.845 1
1 171 . 8 1 1 A 14 14 MET H H 14 9.340 8.652 0.688 1
1 172 . 8 1 1 A 14 14 MET HA H 14 4.750 5.249 -0.499 1
1 180 . 8 1 1 A 14 14 MET CA C 14 55.380 53.961 1.419 1
1 181 . 8 1 1 A 14 14 MET CB C 14 33.823 37.942 -4.119 1
1 184 . 8 1 1 A 14 14 MET N N 14 124.300 120.827 3.473 1
1 185 . 8 1 1 A 15 15 ALA H H 15 9.040 8.226 0.814 1
1 186 . 8 1 1 A 15 15 ALA HA H 15 4.490 4.524 -0.034 1
1 190 . 8 1 1 A 15 15 ALA CA C 15 52.570 53.563 -0.993 1
1 191 . 8 1 1 A 15 15 ALA CB C 15 19.870 21.471 -1.601 1
1 192 . 8 1 1 A 15 15 ALA N N 15 125.900 122.121 3.779 1
1 193 . 8 1 1 A 16 16 ALA H H 16 7.880 8.030 -0.150 1
1 194 . 8 1 1 A 16 16 ALA HA H 16 4.526 4.651 -0.125 1
1 198 . 8 1 1 A 16 16 ALA CA C 16 52.580 50.573 2.007 1
1 199 . 8 1 1 A 16 16 ALA CB C 16 21.400 19.277 2.123 1
1 200 . 8 1 1 A 16 16 ALA N N 16 119.400 119.558 -0.158 1
1 201 . 8 1 1 A 17 17 TYR H H 17 8.270 9.198 -0.928 1
1 202 . 8 1 1 A 17 17 TYR HA H 17 5.290 4.853 0.437 1
1 209 . 8 1 1 A 17 17 TYR CA C 17 59.160 57.167 1.993 1
1 210 . 8 1 1 A 17 17 TYR CB C 17 41.700 38.376 3.324 1
1 215 . 8 1 1 A 17 17 TYR N N 17 120.300 126.921 -6.621 1
1 216 . 8 1 1 A 18 18 GLN H H 18 8.610 8.612 -0.002 1
1 217 . 8 1 1 A 18 18 GLN HA H 18 4.350 4.923 -0.573 1
1 224 . 8 1 1 A 18 18 GLN CA C 18 54.920 54.359 0.561 1
1 225 . 8 1 1 A 18 18 GLN CB C 18 32.570 31.823 0.747 1
1 227 . 8 1 1 A 18 18 GLN N N 18 128.000 127.954 0.046 1
1 229 . 8 1 1 A 19 19 GLU H H 19 8.370 9.017 -0.647 1
1 230 . 8 1 1 A 19 19 GLU HA H 19 5.015 4.949 0.066 1
1 235 . 8 1 1 A 19 19 GLU CA C 19 54.700 54.780 -0.080 1
1 236 . 8 1 1 A 19 19 GLU CB C 19 34.800 33.252 1.548 1
1 238 . 8 1 1 A 19 19 GLU N N 19 122.900 127.914 -5.014 1
1 239 . 8 1 1 A 20 20 GLU H H 20 8.920 9.480 -0.560 1
1 240 . 8 1 1 A 20 20 GLU HA H 20 4.740 4.746 -0.006 1
1 245 . 8 1 1 A 20 20 GLU CA C 20 55.100 55.442 -0.342 1
1 246 . 8 1 1 A 20 20 GLU CB C 20 33.800 30.763 3.037 1
1 248 . 8 1 1 A 20 20 GLU N N 20 123.300 125.749 -2.449 1
1 249 . 8 1 1 A 21 21 SER H H 21 9.070 8.517 0.553 1
1 250 . 8 1 1 A 21 21 SER HA H 21 4.430 4.608 -0.178 1
1 253 . 8 1 1 A 21 21 SER CA C 21 59.300 58.804 0.496 1
1 254 . 8 1 1 A 21 21 SER CB C 21 65.000 64.121 0.879 1
1 255 . 8 1 1 A 21 21 SER N N 21 114.800 120.717 -5.917 1
1 256 . 8 1 1 A 22 22 GLU H H 22 7.670 7.902 -0.232 1
1 257 . 8 1 1 A 22 22 GLU HA H 22 4.500 4.386 0.114 1
1 262 . 8 1 1 A 22 22 GLU CA C 22 53.100 58.946 -5.846 1
1 263 . 8 1 1 A 22 22 GLU CB C 22 31.750 30.751 0.999 1
1 265 . 8 1 1 A 22 22 GLU N N 22 119.913 120.268 -0.355 1
1 266 . 8 1 1 A 23 23 PRO HA H 23 4.636 4.363 0.273 1
1 273 . 8 1 1 A 23 23 PRO CA C 23 64.200 64.289 -0.089 1
1 274 . 8 1 1 A 23 23 PRO CB C 23 34.200 32.047 2.153 1
1 277 . 8 1 1 A 24 24 LYS H H 24 7.370 7.492 -0.122 1
1 278 . 8 1 1 A 24 24 LYS HA H 24 4.480 4.627 -0.147 1
1 287 . 8 1 1 A 24 24 LYS CA C 24 54.200 55.688 -1.488 1
1 288 . 8 1 1 A 24 24 LYS CB C 24 36.400 35.636 0.764 1
1 292 . 8 1 1 A 24 24 LYS N N 24 119.400 116.427 2.973 1
1 293 . 8 1 1 A 25 25 ARG H H 25 8.730 8.317 0.413 1
1 294 . 8 1 1 A 25 25 ARG HA H 25 4.470 4.668 -0.198 1
1 302 . 8 1 1 A 25 25 ARG CA C 25 57.000 55.139 1.861 1
1 303 . 8 1 1 A 25 25 ARG CB C 25 28.900 29.806 -0.906 1
1 306 . 8 1 1 A 25 25 ARG N N 25 121.900 121.576 0.324 1
1 308 . 8 1 1 A 26 26 LYS H H 26 8.220 9.097 -0.877 1
1 309 . 8 1 1 A 26 26 LYS HA H 26 5.270 5.031 0.239 1
1 318 . 8 1 1 A 26 26 LYS CA C 26 55.000 54.679 0.321 1
1 319 . 8 1 1 A 26 26 LYS CB C 26 36.900 34.058 2.842 1
1 323 . 8 1 1 A 26 26 LYS N N 26 124.500 125.982 -1.482 1
1 324 . 8 1 1 A 27 27 ILE H H 27 9.100 9.192 -0.092 1
1 325 . 8 1 1 A 27 27 ILE HA H 27 5.320 4.824 0.496 1
1 335 . 8 1 1 A 27 27 ILE CA C 27 59.000 59.772 -0.772 1
1 336 . 8 1 1 A 27 27 ILE CB C 27 42.480 39.796 2.684 1
1 340 . 8 1 1 A 27 27 ILE N N 27 116.400 123.614 -7.214 1
1 341 . 8 1 1 A 28 28 ALA H H 28 8.730 8.999 -0.269 1
1 342 . 8 1 1 A 28 28 ALA HA H 28 5.460 5.018 0.442 1
1 346 . 8 1 1 A 28 28 ALA CA C 28 50.600 50.439 0.161 1
1 347 . 8 1 1 A 28 28 ALA CB C 28 21.960 19.993 1.967 1
1 348 . 8 1 1 A 28 28 ALA N N 28 124.900 128.792 -3.892 1
1 349 . 8 1 1 A 29 29 PHE H H 29 8.750 8.147 0.603 1
1 350 . 8 1 1 A 29 29 PHE HA H 29 5.420 6.074 -0.654 1
1 355 . 8 1 1 A 29 29 PHE CA C 29 55.680 55.179 0.501 1
1 356 . 8 1 1 A 29 29 PHE CB C 29 43.100 42.587 0.513 1
1 359 . 8 1 1 A 29 29 PHE N N 29 118.800 119.492 -0.692 1
1 360 . 8 1 1 A 30 30 THR H H 30 7.980 8.366 -0.386 1
1 361 . 8 1 1 A 30 30 THR HA H 30 5.690 4.990 0.700 1
1 366 . 8 1 1 A 30 30 THR CA C 30 59.900 60.965 -1.065 1
1 367 . 8 1 1 A 30 30 THR CB C 30 71.130 69.804 1.326 1
1 369 . 8 1 1 A 30 30 THR N N 30 114.100 113.363 0.737 1
1 370 . 8 1 1 A 31 31 LEU H H 31 9.360 9.233 0.127 1
1 371 . 8 1 1 A 31 31 LEU HA H 31 5.020 4.884 0.136 1
1 381 . 8 1 1 A 31 31 LEU CA C 31 52.990 54.392 -1.402 1
1 382 . 8 1 1 A 31 31 LEU CB C 31 45.400 43.423 1.977 1
1 386 . 8 1 1 A 31 31 LEU N N 31 125.300 128.184 -2.884 1
1 387 . 8 1 1 A 32 32 ASN H H 32 9.160 8.951 0.209 1
1 388 . 8 1 1 A 32 32 ASN HA H 32 5.210 4.953 0.257 1
1 393 . 8 1 1 A 32 32 ASN CA C 32 52.660 53.836 -1.176 1
1 394 . 8 1 1 A 32 32 ASN CB C 32 38.600 39.283 -0.683 1
1 395 . 8 1 1 A 32 32 ASN N N 32 123.600 126.675 -3.075 1
1 397 . 8 1 1 A 33 33 VAL H H 33 8.880 9.532 -0.652 1
1 398 . 8 1 1 A 33 33 VAL HA H 33 4.080 4.541 -0.461 1
1 406 . 8 1 1 A 33 33 VAL CA C 33 61.940 61.605 0.335 1
1 407 . 8 1 1 A 33 33 VAL CB C 33 34.600 32.040 2.560 1
1 410 . 8 1 1 A 33 33 VAL N N 33 124.500 127.557 -3.057 1
1 411 . 8 1 1 A 34 34 THR H H 34 7.650 8.857 -1.207 1
1 412 . 8 1 1 A 34 34 THR HA H 34 5.130 4.825 0.305 1
1 417 . 8 1 1 A 34 34 THR CA C 34 59.200 60.434 -1.234 1
1 418 . 8 1 1 A 34 34 THR CB C 34 72.830 71.465 1.365 1
1 420 . 8 1 1 A 34 34 THR N N 34 114.300 121.120 -6.820 1
1 421 . 8 1 1 A 35 35 SER H H 35 9.330 9.112 0.218 1
1 422 . 8 1 1 A 35 35 SER HA H 35 4.020 4.276 -0.256 1
1 425 . 8 1 1 A 35 35 SER CA C 35 62.000 61.084 0.916 1
1 426 . 8 1 1 A 35 35 SER CB C 35 62.400 63.422 -1.022 1
1 427 . 8 1 1 A 35 35 SER N N 35 116.200 115.930 0.270 1
1 428 . 8 1 1 A 36 36 GLU H H 36 8.360 8.115 0.245 1
1 429 . 8 1 1 A 36 36 GLU HA H 36 4.330 4.167 0.163 1
1 434 . 8 1 1 A 36 36 GLU CA C 36 58.900 59.139 -0.239 1
1 435 . 8 1 1 A 36 36 GLU CB C 36 30.200 29.770 0.430 1
1 437 . 8 1 1 A 36 36 GLU N N 36 119.200 122.663 -3.463 1
1 438 . 8 1 1 A 37 37 THR H H 37 7.580 7.374 0.206 1
1 439 . 8 1 1 A 37 37 THR HA H 37 4.650 4.259 0.391 1
1 444 . 8 1 1 A 37 37 THR CA C 37 61.620 61.777 -0.157 1
1 445 . 8 1 1 A 37 37 THR CB C 37 70.630 68.922 1.708 1
1 447 . 8 1 1 A 37 37 THR N N 37 108.800 113.529 -4.729 1
1 448 . 8 1 1 A 38 38 TYR H H 38 7.990 7.778 0.212 1
1 449 . 8 1 1 A 38 38 TYR HA H 38 3.890 4.101 -0.211 1
1 456 . 8 1 1 A 38 38 TYR CA C 38 61.980 61.809 0.171 1
1 457 . 8 1 1 A 38 38 TYR CB C 38 38.600 39.169 -0.569 1
1 462 . 8 1 1 A 38 38 TYR N N 38 121.700 122.612 -0.912 1
1 463 . 8 1 1 A 39 39 HIS H H 39 8.770 8.452 0.318 1
1 464 . 8 1 1 A 39 39 HIS HA H 39 3.950 4.445 -0.495 1
1 468 . 8 1 1 A 39 39 HIS CA C 39 60.450 59.065 1.385 1
1 469 . 8 1 1 A 39 39 HIS CB C 39 28.350 28.906 -0.556 1
1 471 . 8 1 1 A 39 39 HIS N N 39 116.400 117.594 -1.194 1
1 472 . 8 1 1 A 40 40 ASP H H 40 8.180 7.988 0.192 1
1 473 . 8 1 1 A 40 40 ASP HA H 40 4.280 4.287 -0.007 1
1 476 . 8 1 1 A 40 40 ASP CA C 40 57.230 57.380 -0.150 1
1 477 . 8 1 1 A 40 40 ASP CB C 40 39.980 40.915 -0.935 1
1 478 . 8 1 1 A 40 40 ASP N N 40 117.200 121.345 -4.145 1
1 479 . 8 1 1 A 41 41 ILE H H 41 7.700 7.523 0.177 1
1 480 . 8 1 1 A 41 41 ILE HA H 41 3.740 3.647 0.093 1
1 490 . 8 1 1 A 41 41 ILE CA C 41 63.400 63.728 -0.328 1
1 491 . 8 1 1 A 41 41 ILE CB C 41 37.000 36.833 0.167 1
1 495 . 8 1 1 A 41 41 ILE N N 41 120.600 118.961 1.639 1
1 496 . 8 1 1 A 42 42 ALA H H 42 8.630 8.005 0.625 1
1 497 . 8 1 1 A 42 42 ALA HA H 42 3.790 4.100 -0.310 1
1 501 . 8 1 1 A 42 42 ALA CA C 42 55.780 54.540 1.240 1
1 502 . 8 1 1 A 42 42 ALA CB C 42 17.400 18.146 -0.746 1
1 503 . 8 1 1 A 42 42 ALA N N 42 122.900 124.416 -1.516 1
1 504 . 8 1 1 A 43 43 VAL H H 43 7.650 7.148 0.502 1
1 505 . 8 1 1 A 43 43 VAL HA H 43 3.390 3.891 -0.501 1
1 513 . 8 1 1 A 43 43 VAL CA C 43 65.700 64.869 0.831 1
1 514 . 8 1 1 A 43 43 VAL CB C 43 31.740 32.650 -0.910 1
1 517 . 8 1 1 A 43 43 VAL N N 43 114.600 115.886 -1.286 1
1 518 . 8 1 1 A 44 44 LEU H H 44 7.250 7.043 0.207 1
1 519 . 8 1 1 A 44 44 LEU HA H 44 4.300 4.357 -0.057 1
1 529 . 8 1 1 A 44 44 LEU CA C 44 57.900 54.101 3.799 1
1 530 . 8 1 1 A 44 44 LEU CB C 44 42.250 42.408 -0.158 1
1 534 . 8 1 1 A 44 44 LEU N N 44 122.800 122.385 0.415 1
1 535 . 8 1 1 A 45 45 LEU H H 45 8.060 8.492 -0.432 1
1 536 . 8 1 1 A 45 45 LEU HA H 45 4.430 5.233 -0.803 1
1 546 . 8 1 1 A 45 45 LEU CA C 45 55.200 53.434 1.766 1
1 547 . 8 1 1 A 45 45 LEU CB C 45 41.600 43.029 -1.429 1
1 551 . 8 1 1 A 46 46 TYR H H 46 8.040 8.532 -0.492 1
1 552 . 8 1 1 A 46 46 TYR HA H 46 5.380 4.564 0.816 1
1 559 . 8 1 1 A 46 46 TYR CA C 46 56.900 58.997 -2.097 1
1 560 . 8 1 1 A 46 46 TYR CB C 46 40.500 36.121 4.379 1
1 565 . 8 1 1 A 46 46 TYR N N 46 122.700 120.365 2.335 1
1 566 . 8 1 1 A 47 47 GLU HA H 47 4.000 4.485 -0.485 1
1 571 . 8 1 1 A 47 47 GLU CA C 47 57.700 55.793 1.907 1
1 572 . 8 1 1 A 47 47 GLU CB C 47 29.800 30.960 -1.160 1
1 574 . 8 1 1 A 48 48 LYS HA H 48 4.660 4.412 0.248 1
1 583 . 8 1 1 A 48 48 LYS CA C 48 57.450 57.842 -0.392 1
1 584 . 8 1 1 A 48 48 LYS CB C 48 36.800 32.762 4.038 1
1 588 . 8 1 1 A 49 49 THR H H 49 7.540 7.514 0.026 1
1 589 . 8 1 1 A 49 49 THR HA H 49 4.830 4.464 0.366 1
1 594 . 8 1 1 A 49 49 THR CA C 49 60.360 61.132 -0.772 1
1 595 . 8 1 1 A 49 49 THR CB C 49 70.850 69.816 1.034 1
1 597 . 8 1 1 A 49 49 THR N N 49 115.800 110.591 5.209 1
1 598 . 8 1 1 A 50 50 PHE H H 50 9.030 8.915 0.115 1
1 599 . 8 1 1 A 50 50 PHE HA H 50 5.150 5.184 -0.034 1
1 606 . 8 1 1 A 50 50 PHE CA C 50 55.680 56.247 -0.567 1
1 607 . 8 1 1 A 50 50 PHE CB C 50 44.220 40.808 3.412 1
1 612 . 8 1 1 A 50 50 PHE N N 50 118.300 123.403 -5.103 1
1 613 . 8 1 1 A 51 51 ASN H H 51 8.810 9.232 -0.422 1
1 614 . 8 1 1 A 51 51 ASN HA H 51 4.920 4.797 0.123 1
1 619 . 8 1 1 A 51 51 ASN CA C 51 53.960 52.790 1.170 1
1 620 . 8 1 1 A 51 51 ASN CB C 51 37.900 38.437 -0.537 1
1 621 . 8 1 1 A 51 51 ASN N N 51 121.100 123.894 -2.794 1
1 623 . 8 1 1 A 52 52 VAL H H 52 9.140 8.758 0.382 1
1 624 . 8 1 1 A 52 52 VAL HA H 52 4.370 4.420 -0.050 1
1 632 . 8 1 1 A 52 52 VAL CA C 52 61.660 62.507 -0.847 1
1 633 . 8 1 1 A 52 52 VAL CB C 52 32.590 31.386 1.204 1
1 636 . 8 1 1 A 52 52 VAL N N 52 129.300 126.657 2.643 1
1 637 . 8 1 1 A 53 53 GLU H H 53 9.020 9.105 -0.085 1
1 638 . 8 1 1 A 53 53 GLU HA H 53 5.090 5.559 -0.469 1
1 643 . 8 1 1 A 53 53 GLU CA C 53 55.500 55.106 0.394 1
1 644 . 8 1 1 A 53 53 GLU CB C 53 31.940 32.049 -0.109 1
1 646 . 8 1 1 A 53 53 GLU N N 53 125.400 130.000 -4.600 1
1 647 . 8 1 1 A 54 54 VAL H H 54 8.840 8.967 -0.127 1
1 648 . 8 1 1 A 54 54 VAL HA H 54 4.680 4.561 0.119 1
1 656 . 8 1 1 A 54 54 VAL CA C 54 58.900 58.539 0.361 1
1 657 . 8 1 1 A 54 54 VAL CB C 54 31.900 34.010 -2.110 1
1 660 . 8 1 1 A 54 54 VAL N N 54 123.100 125.504 -2.404 1
1 661 . 8 1 1 A 55 55 PRO HA H 55 4.480 4.288 0.192 1
1 668 . 8 1 1 A 55 55 PRO CA C 55 65.720 64.738 0.982 1
1 669 . 8 1 1 A 55 55 PRO CB C 55 32.040 32.056 -0.016 1
1 672 . 8 1 1 A 56 56 GLU H H 56 10.050 8.366 1.684 1
1 673 . 8 1 1 A 56 56 GLU HA H 56 4.145 4.134 0.011 1
1 678 . 8 1 1 A 56 56 GLU CA C 56 58.580 59.268 -0.688 1
1 679 . 8 1 1 A 56 56 GLU CB C 56 30.000 29.276 0.724 1
1 681 . 8 1 1 A 56 56 GLU N N 56 118.000 117.756 0.244 1
1 682 . 8 1 1 A 57 57 ARG H H 57 7.550 7.317 0.233 1
1 683 . 8 1 1 A 57 57 ARG HA H 57 4.480 4.423 0.057 1
1 691 . 8 1 1 A 57 57 ARG CA C 57 52.560 55.516 -2.956 1
1 692 . 8 1 1 A 57 57 ARG CB C 57 29.990 30.087 -0.097 1
1 695 . 8 1 1 A 57 57 ARG N N 57 116.400 116.832 -0.432 1
1 697 . 8 1 1 A 58 58 ASP H H 58 7.920 7.966 -0.046 1
1 698 . 8 1 1 A 58 58 ASP HA H 58 4.250 4.151 0.099 1
1 701 . 8 1 1 A 58 58 ASP CA C 58 55.420 55.494 -0.074 1
1 702 . 8 1 1 A 58 58 ASP CB C 58 39.860 39.146 0.714 1
1 703 . 8 1 1 A 58 58 ASP N N 58 118.400 117.074 1.326 1
1 704 . 8 1 1 A 59 59 LEU H H 59 6.930 8.027 -1.097 1
1 705 . 8 1 1 A 59 59 LEU HA H 59 4.770 4.614 0.156 1
1 715 . 8 1 1 A 59 59 LEU CA C 59 53.830 53.470 0.360 1
1 716 . 8 1 1 A 59 59 LEU CB C 59 45.800 42.982 2.818 1
1 720 . 8 1 1 A 59 59 LEU N N 59 116.500 119.380 -2.880 1
1 721 . 8 1 1 A 60 60 ALA H H 60 8.690 8.924 -0.234 1
1 722 . 8 1 1 A 60 60 ALA HA H 60 5.353 4.897 0.456 1
1 726 . 8 1 1 A 60 60 ALA CA C 60 52.020 51.024 0.996 1
1 727 . 8 1 1 A 60 60 ALA CB C 60 21.060 19.732 1.328 1
1 728 . 8 1 1 A 60 60 ALA N N 60 130.000 128.087 1.913 1
1 729 . 8 1 1 A 61 61 PHE H H 61 8.470 8.928 -0.458 1
1 730 . 8 1 1 A 61 61 PHE HA H 61 4.933 4.963 -0.030 1
1 737 . 8 1 1 A 61 61 PHE CA C 61 56.500 57.708 -1.208 1
1 738 . 8 1 1 A 61 61 PHE CB C 61 39.720 42.821 -3.101 1
1 743 . 8 1 1 A 61 61 PHE N N 61 117.500 123.368 -5.868 1
1 744 . 8 1 1 A 62 62 ARG H H 62 9.270 7.952 1.318 1
1 745 . 8 1 1 A 62 62 ARG HA H 62 5.290 4.582 0.708 1
1 753 . 8 1 1 A 62 62 ARG CA C 62 54.950 55.198 -0.248 1
1 754 . 8 1 1 A 62 62 ARG CB C 62 30.800 30.634 0.166 1
1 757 . 8 1 1 A 62 62 ARG N N 62 122.500 127.133 -4.633 1
1 759 . 8 1 1 A 63 63 GLY H H 63 9.370 8.921 0.449 1
1 760 . 8 1 1 A 63 63 GLY HA2 H 63 5.440 4.148 1.292 1
1 761 . 8 1 1 A 63 63 GLY HA3 H 63 3.460 4.229 -0.769 1
1 762 . 8 1 1 A 63 63 GLY CA C 63 45.000 45.285 -0.285 1
1 763 . 8 1 1 A 63 63 GLY N N 63 112.700 113.908 -1.208 1
1 764 . 8 1 1 A 64 64 GLU H H 64 9.090 8.826 0.264 1
1 765 . 8 1 1 A 64 64 GLU HA H 64 5.410 5.460 -0.050 1
1 770 . 8 1 1 A 64 64 GLU CA C 64 53.160 55.649 -2.489 1
1 771 . 8 1 1 A 64 64 GLU CB C 64 33.500 31.485 2.015 1
1 773 . 8 1 1 A 64 64 GLU N N 64 118.400 122.997 -4.597 1
1 774 . 8 1 1 A 65 65 MET H H 65 9.320 9.347 -0.027 1
1 775 . 8 1 1 A 65 65 MET HA H 65 5.070 4.523 0.547 1
1 783 . 8 1 1 A 65 65 MET CA C 65 56.700 55.257 1.443 1
1 784 . 8 1 1 A 65 65 MET CB C 65 34.500 32.031 2.469 1
1 787 . 8 1 1 A 65 65 MET N N 65 124.900 123.277 1.623 1
1 788 . 8 1 1 A 66 66 THR H H 66 8.970 8.760 0.210 1
1 789 . 8 1 1 A 66 66 THR HA H 66 4.480 4.404 0.076 1
1 794 . 8 1 1 A 66 66 THR CA C 66 61.970 61.421 0.549 1
1 795 . 8 1 1 A 66 66 THR CB C 66 69.160 69.355 -0.195 1
1 797 . 8 1 1 A 66 66 THR N N 66 120.300 115.335 4.965 1
1 798 . 8 1 1 A 67 67 ASN H H 67 7.850 7.579 0.271 1
1 799 . 8 1 1 A 67 67 ASN HA H 67 4.850 4.468 0.382 1
1 804 . 8 1 1 A 67 67 ASN CA C 67 54.240 51.254 2.986 1
1 805 . 8 1 1 A 67 67 ASN CB C 67 41.900 39.322 2.578 1
1 806 . 8 1 1 A 67 67 ASN N N 67 119.200 121.875 -2.675 1
1 808 . 8 1 1 A 68 68 TYR H H 68 8.720 8.727 -0.007 1
1 809 . 8 1 1 A 68 68 TYR HA H 68 4.611 4.709 -0.098 1
1 812 . 8 1 1 A 68 68 TYR CA C 68 54.600 57.688 -3.088 1
1 813 . 8 1 1 A 68 68 TYR CB C 68 41.180 39.181 1.999 1
1 814 . 8 1 1 A 68 68 TYR N N 68 123.200 118.429 4.771 1
1 815 . 8 1 1 A 69 69 SER H H 69 8.160 8.064 0.096 1
1 816 . 8 1 1 A 69 69 SER HA H 69 4.450 4.146 0.304 1
1 819 . 8 1 1 A 69 69 SER CA C 69 58.913 59.110 -0.197 1
1 820 . 8 1 1 A 69 69 SER CB C 69 65.000 61.507 3.493 1
1 821 . 8 1 1 A 69 69 SER N N 69 115.000 114.448 0.552 1
1 822 . 8 1 1 A 70 70 THR H H 70 8.250 8.195 0.055 1
1 823 . 8 1 1 A 70 70 THR HA H 70 4.200 4.145 0.055 1
1 828 . 8 1 1 A 70 70 THR CA C 70 62.200 64.633 -2.433 1
1 829 . 8 1 1 A 70 70 THR CB C 70 70.060 68.976 1.084 1
1 831 . 8 1 1 A 70 70 THR N N 70 111.000 120.781 -9.781 1
1 832 . 8 1 1 A 71 71 SER HA H 71 4.610 4.760 -0.150 1
1 835 . 8 1 1 A 71 71 SER CA C 71 58.100 57.405 0.695 1
1 836 . 8 1 1 A 71 71 SER CB C 71 63.600 67.505 -3.905 1
1 837 . 8 1 1 A 72 72 LEU H H 72 8.290 8.144 0.146 1
1 838 . 8 1 1 A 72 72 LEU HA H 72 4.300 4.645 -0.345 1
1 847 . 8 1 1 A 72 72 LEU CA C 72 56.500 53.253 3.247 1
1 848 . 8 1 1 A 72 72 LEU CB C 72 40.600 42.150 -1.550 1
1 852 . 8 1 1 A 72 72 LEU N N 72 122.300 119.672 2.628 1
1 853 . 8 1 1 A 73 73 THR H H 73 8.000 7.948 0.052 1
1 854 . 8 1 1 A 73 73 THR HA H 73 5.110 4.093 1.017 1
1 859 . 8 1 1 A 73 73 THR CA C 73 59.300 61.031 -1.731 1
1 860 . 8 1 1 A 73 73 THR CB C 73 71.950 66.612 5.338 1
1 862 . 8 1 1 A 74 74 ASN H H 74 8.370 7.847 0.523 1
1 863 . 8 1 1 A 74 74 ASN HA H 74 4.660 5.226 -0.566 1
1 868 . 8 1 1 A 74 74 ASN CA C 74 52.780 52.201 0.579 1
1 869 . 8 1 1 A 74 74 ASN CB C 74 38.360 40.142 -1.782 1
1 870 . 8 1 1 A 74 74 ASN N N 74 121.500 120.005 1.495 1
1 872 . 8 1 1 A 75 75 LEU H H 75 8.020 9.149 -1.129 1
1 873 . 8 1 1 A 75 75 LEU HA H 75 3.970 4.422 -0.452 1
1 883 . 8 1 1 A 75 75 LEU CA C 75 55.500 55.997 -0.497 1
1 884 . 8 1 1 A 75 75 LEU CB C 75 41.800 45.172 -3.372 1
1 888 . 8 1 1 A 75 75 LEU N N 75 123.200 127.003 -3.803 1
1 889 . 8 1 1 A 76 76 TYR H H 76 7.930 9.134 -1.204 1
1 890 . 8 1 1 A 76 76 TYR HA H 76 4.450 4.776 -0.326 1
1 897 . 8 1 1 A 76 76 TYR CA C 76 58.000 59.108 -1.108 1
1 898 . 8 1 1 A 76 76 TYR CB C 76 37.700 40.129 -2.429 1
1 903 . 8 1 1 A 76 76 TYR N N 76 116.100 119.858 -3.758 1
1 904 . 8 1 1 A 77 77 GLU H H 77 7.410 7.576 -0.166 1
1 905 . 8 1 1 A 77 77 GLU HA H 77 4.650 4.664 -0.014 1
1 910 . 8 1 1 A 77 77 GLU CA C 77 53.700 54.714 -1.014 1
1 911 . 8 1 1 A 77 77 GLU CB C 77 30.200 32.506 -2.306 1
1 913 . 8 1 1 A 77 77 GLU N N 77 122.300 114.166 8.134 1
1 914 . 8 1 1 A 78 78 PRO HA H 78 4.340 4.857 -0.517 1
1 921 . 8 1 1 A 78 78 PRO CA C 78 64.000 62.412 1.588 1
1 922 . 8 1 1 A 78 78 PRO CB C 78 31.740 33.255 -1.515 1
1 925 . 8 1 1 A 79 79 GLY H H 79 8.980 8.319 0.661 1
1 926 . 8 1 1 A 79 79 GLY HA2 H 79 3.822 4.164 -0.342 1
1 927 . 8 1 1 A 79 79 GLY HA3 H 79 4.090 4.171 -0.081 1
1 928 . 8 1 1 A 79 79 GLY CA C 79 45.570 45.669 -0.099 1
1 929 . 8 1 1 A 79 79 GLY N N 79 112.300 107.511 4.789 1
1 930 . 8 1 1 A 80 80 ALA H H 80 7.670 8.037 -0.367 1
1 931 . 8 1 1 A 80 80 ALA HA H 80 4.300 4.304 -0.004 1
1 935 . 8 1 1 A 80 80 ALA CA C 80 52.880 53.032 -0.152 1
1 936 . 8 1 1 A 80 80 ALA CB C 80 20.670 19.262 1.408 1
1 937 . 8 1 1 A 80 80 ALA N N 80 123.200 128.315 -5.115 1
1 938 . 8 1 1 A 81 81 VAL H H 81 8.280 7.606 0.674 1
1 939 . 8 1 1 A 81 81 VAL HA H 81 4.410 4.722 -0.312 1
1 947 . 8 1 1 A 81 81 VAL CA C 81 61.540 59.829 1.711 1
1 948 . 8 1 1 A 81 81 VAL CB C 81 34.000 35.752 -1.752 1
1 951 . 8 1 1 A 82 82 SER H H 82 8.970 9.151 -0.181 1
1 952 . 8 1 1 A 82 82 SER HA H 82 4.685 5.315 -0.630 1
1 955 . 8 1 1 A 82 82 SER CA C 82 57.180 57.206 -0.026 1
1 956 . 8 1 1 A 82 82 SER CB C 82 65.200 65.890 -0.690 1
1 957 . 8 1 1 A 82 82 SER N N 82 122.000 124.337 -2.337 1
1 958 . 8 1 1 A 83 83 GLU H H 83 8.360 9.322 -0.962 1
1 959 . 8 1 1 A 83 83 GLU HA H 83 4.500 5.240 -0.740 1
1 964 . 8 1 1 A 83 83 GLU CA C 83 53.020 54.939 -1.919 1
1 965 . 8 1 1 A 83 83 GLU CB C 83 31.800 32.312 -0.512 1
1 967 . 8 1 1 A 83 83 GLU N N 83 122.800 119.315 3.485 1
1 968 . 8 1 1 A 84 84 PHE H H 84 9.160 9.793 -0.633 1
1 969 . 8 1 1 A 84 84 PHE HA H 84 4.920 4.827 0.093 1
1 977 . 8 1 1 A 84 84 PHE CA C 84 54.840 57.753 -2.913 1
1 978 . 8 1 1 A 84 84 PHE CB C 84 40.690 39.354 1.336 1
1 984 . 8 1 1 A 84 84 PHE N N 84 123.800 124.359 -0.559 1
1 985 . 8 1 1 A 85 85 TYR H H 85 8.810 8.386 0.424 1
1 986 . 8 1 1 A 85 85 TYR HA H 85 5.050 4.562 0.488 1
1 993 . 8 1 1 A 85 85 TYR CA C 85 56.190 56.997 -0.807 1
1 994 . 8 1 1 A 85 85 TYR CB C 85 37.800 38.408 -0.608 1
1 999 . 8 1 1 A 85 85 TYR N N 85 123.600 125.043 -1.443 1
1 1000 . 8 1 1 A 86 86 ILE H H 86 8.340 8.643 -0.303 1
1 1001 . 8 1 1 A 86 86 ILE HA H 86 4.520 4.182 0.338 1
1 1011 . 8 1 1 A 86 86 ILE CA C 86 59.340 60.063 -0.723 1
1 1012 . 8 1 1 A 86 86 ILE CB C 86 40.300 37.540 2.760 1
1 1016 . 8 1 1 A 86 86 ILE N N 86 126.200 128.602 -2.402 1
1 1017 . 8 1 1 A 87 87 GLU H H 87 8.200 8.574 -0.374 1
1 1018 . 8 1 1 A 87 87 GLU HA H 87 5.330 4.683 0.647 1
1 1023 . 8 1 1 A 87 87 GLU CA C 87 54.500 54.856 -0.356 1
1 1024 . 8 1 1 A 87 87 GLU CB C 87 34.100 30.963 3.137 1
1 1026 . 8 1 1 A 87 87 GLU N N 87 124.600 127.957 -3.357 1
1 1027 . 8 1 1 A 88 88 ILE H H 88 9.250 9.018 0.232 1
1 1028 . 8 1 1 A 88 88 ILE HA H 88 5.080 4.600 0.480 1
1 1038 . 8 1 1 A 88 88 ILE CA C 88 59.900 59.998 -0.098 1
1 1039 . 8 1 1 A 88 88 ILE CB C 88 42.100 39.291 2.809 1
1 1043 . 8 1 1 A 88 88 ILE N N 88 124.900 128.105 -3.205 1
1 1044 . 8 1 1 A 89 89 THR H H 89 9.020 8.902 0.118 1
1 1045 . 8 1 1 A 89 89 THR HA H 89 4.960 4.678 0.282 1
1 1050 . 8 1 1 A 89 89 THR CA C 89 61.600 61.823 -0.223 1
1 1051 . 8 1 1 A 89 89 THR CB C 89 70.000 70.275 -0.275 1
1 1053 . 8 1 1 A 89 89 THR N N 89 122.900 123.359 -0.459 1
1 1054 . 8 1 1 A 90 90 GLU H H 90 8.910 8.201 0.709 1
1 1055 . 8 1 1 A 90 90 GLU HA H 90 4.730 4.389 0.341 1
1 1060 . 8 1 1 A 90 90 GLU CA C 90 57.300 57.527 -0.227 1
1 1061 . 8 1 1 A 90 90 GLU CB C 90 30.570 30.024 0.546 1
1 1063 . 8 1 1 A 90 90 GLU N N 90 128.600 125.525 3.075 1
1 1064 . 8 1 1 A 91 91 ILE H H 91 8.550 8.435 0.115 1
1 1065 . 8 1 1 A 91 91 ILE HA H 91 4.230 4.259 -0.029 1
1 1075 . 8 1 1 A 91 91 ILE CA C 91 61.400 61.470 -0.070 1
1 1076 . 8 1 1 A 91 91 ILE CB C 91 39.800 39.372 0.428 1
1 1080 . 8 1 1 A 91 91 ILE N N 91 124.600 127.585 -2.985 1
1 1081 . 8 1 1 A 92 92 ASP H H 92 8.550 8.533 0.017 1
1 1082 . 8 1 1 A 92 92 ASP HA H 92 4.612 4.591 0.021 1
1 1085 . 8 1 1 A 92 92 ASP CA C 92 54.370 54.700 -0.330 1
1 1086 . 8 1 1 A 92 92 ASP CB C 92 41.570 41.754 -0.184 1
1 1087 . 8 1 1 A 92 92 ASP N N 92 124.100 127.456 -3.356 1
1 1088 . 8 1 1 A 93 93 LYS H H 93 8.530 8.709 -0.179 1
1 1089 . 8 1 1 A 93 93 LYS HA H 93 4.240 4.697 -0.457 1
1 1098 . 8 1 1 A 93 93 LYS CA C 93 57.100 55.701 1.399 1
1 1099 . 8 1 1 A 93 93 LYS CB C 93 32.900 32.239 0.661 1
1 1103 . 8 1 1 A 93 93 LYS N N 93 123.200 119.528 3.672 1
1 1104 . 8 1 1 A 94 94 ASN H H 94 8.590 7.806 0.784 1
1 1105 . 8 1 1 A 94 94 ASN HA H 94 4.680 4.775 -0.095 1
1 1110 . 8 1 1 A 94 94 ASN CA C 94 53.300 51.864 1.436 1
1 1111 . 8 1 1 A 94 94 ASN CB C 94 38.700 37.065 1.635 1
1 1112 . 8 1 1 A 94 94 ASN N N 94 118.800 121.154 -2.354 1
1 1114 . 8 1 1 A 95 95 ALA H H 95 8.110 8.288 -0.178 1
1 1115 . 8 1 1 A 95 95 ALA HA H 95 4.270 3.958 0.312 1
1 1119 . 8 1 1 A 95 95 ALA CA C 95 53.160 54.298 -1.138 1
1 1120 . 8 1 1 A 95 95 ALA CB C 95 19.100 17.840 1.260 1
1 1121 . 8 1 1 A 95 95 ALA N N 95 123.990 121.605 2.385 1
1 1122 . 8 1 1 A 96 96 ASP H H 96 8.290 8.578 -0.288 1
1 1123 . 8 1 1 A 96 96 ASP HA H 96 4.610 4.920 -0.310 1
1 1126 . 8 1 1 A 96 96 ASP CA C 96 54.400 53.541 0.859 1
1 1127 . 8 1 1 A 96 96 ASP CB C 96 41.300 42.633 -1.333 1
1 1128 . 8 1 1 A 96 96 ASP N N 96 119.100 120.040 -0.940 1
1 1129 . 8 1 1 A 97 97 SER H H 97 8.150 8.704 -0.554 1
1 1130 . 8 1 1 A 97 97 SER HA H 97 4.380 4.752 -0.372 1
1 1133 . 8 1 1 A 97 97 SER CA C 97 58.600 57.348 1.252 1
1 1134 . 8 1 1 A 97 97 SER CB C 97 63.600 64.655 -1.055 1
1 1135 . 8 1 1 A 97 97 SER N N 97 115.800 118.498 -2.698 1
1 1136 . 8 1 1 A 98 98 LEU H H 98 8.240 7.933 0.307 1
1 1137 . 8 1 1 A 98 98 LEU HA H 98 4.260 4.698 -0.438 1
1 1147 . 8 1 1 A 98 98 LEU CA C 98 55.650 53.273 2.377 1
1 1148 . 8 1 1 A 98 98 LEU CB C 98 42.190 42.458 -0.268 1
1 1152 . 8 1 1 A 98 98 LEU N N 98 123.500 122.808 0.692 1
1 1153 . 8 1 1 A 99 99 GLU H H 99 8.190 8.653 -0.463 1
1 1154 . 8 1 1 A 99 99 GLU HA H 99 4.130 4.616 -0.486 1
1 1159 . 8 1 1 A 99 99 GLU CA C 99 56.850 54.563 2.287 1
1 1160 . 8 1 1 A 99 99 GLU CB C 99 29.900 33.063 -3.163 1
1 1162 . 8 1 1 A 99 99 GLU N N 99 119.900 122.992 -3.092 1
1 1163 . 8 1 1 A 100 100 HIS H H 100 8.200 8.400 -0.200 1
1 1164 . 8 1 1 A 100 100 HIS HA H 100 4.560 4.106 0.454 1
1 1168 . 8 1 1 A 100 100 HIS CA C 100 55.835 59.486 -3.651 1
1 1169 . 8 1 1 A 100 100 HIS CB C 100 30.370 27.597 2.773 1
1 13 . 9 1 1 A 2 2 VAL H H 2 8.440 7.885 0.555 1
1 14 . 9 1 1 A 2 2 VAL HA H 2 3.790 3.688 0.102 1
1 22 . 9 1 1 A 2 2 VAL CA C 2 62.900 63.176 -0.276 1
1 23 . 9 1 1 A 2 2 VAL CB C 2 32.100 29.615 2.485 1
1 26 . 9 1 1 A 2 2 VAL N N 2 125.800 115.623 10.177 1
1 27 . 9 1 1 A 3 3 LYS H H 3 8.980 7.769 1.211 1
1 28 . 9 1 1 A 3 3 LYS HA H 3 4.650 3.961 0.689 1
1 37 . 9 1 1 A 3 3 LYS CA C 3 57.100 58.384 -1.284 1
1 38 . 9 1 1 A 3 3 LYS CB C 3 36.400 32.495 3.905 1
1 42 . 9 1 1 A 3 3 LYS N N 3 124.600 121.242 3.358 1
1 43 . 9 1 1 A 4 4 THR H H 4 7.740 7.558 0.182 1
1 44 . 9 1 1 A 4 4 THR HA H 4 4.310 4.285 0.025 1
1 49 . 9 1 1 A 4 4 THR CA C 4 64.990 61.729 3.261 1
1 50 . 9 1 1 A 4 4 THR CB C 4 68.700 66.846 1.854 1
1 52 . 9 1 1 A 4 4 THR N N 4 117.900 113.748 4.152 1
1 53 . 9 1 1 A 5 5 LEU H H 5 8.460 8.176 0.284 1
1 54 . 9 1 1 A 5 5 LEU HA H 5 4.850 5.095 -0.245 1
1 64 . 9 1 1 A 5 5 LEU CA C 5 52.700 54.062 -1.362 1
1 65 . 9 1 1 A 5 5 LEU CB C 5 45.190 45.994 -0.804 1
1 69 . 9 1 1 A 5 5 LEU N N 5 130.600 127.841 2.759 1
1 70 . 9 1 1 A 6 6 ARG H H 6 9.050 9.017 0.033 1
1 71 . 9 1 1 A 6 6 ARG HA H 6 5.500 5.060 0.440 1
1 79 . 9 1 1 A 6 6 ARG CA C 6 54.350 54.447 -0.097 1
1 80 . 9 1 1 A 6 6 ARG CB C 6 33.080 33.695 -0.615 1
1 83 . 9 1 1 A 6 6 ARG N N 6 123.100 124.474 -1.374 1
1 85 . 9 1 1 A 7 7 LEU H H 7 8.290 8.999 -0.709 1
1 86 . 9 1 1 A 7 7 LEU HA H 7 4.870 4.819 0.051 1
1 96 . 9 1 1 A 7 7 LEU CA C 7 52.270 53.633 -1.363 1
1 97 . 9 1 1 A 7 7 LEU CB C 7 43.800 43.398 0.402 1
1 101 . 9 1 1 A 7 7 LEU N N 7 121.300 123.189 -1.889 1
1 102 . 9 1 1 A 8 8 ASN H H 8 9.220 9.217 0.003 1
1 103 . 9 1 1 A 8 8 ASN HA H 8 4.580 4.489 0.091 1
1 108 . 9 1 1 A 8 8 ASN CA C 8 54.180 54.712 -0.532 1
1 109 . 9 1 1 A 8 8 ASN CB C 8 36.400 36.891 -0.491 1
1 110 . 9 1 1 A 8 8 ASN N N 8 121.700 124.498 -2.798 1
1 112 . 9 1 1 A 9 9 ASN HA H 9 4.180 4.465 -0.285 1
1 117 . 9 1 1 A 9 9 ASN CA C 9 54.800 54.516 0.284 1
1 118 . 9 1 1 A 9 9 ASN CB C 9 38.200 37.200 1.000 1
1 120 . 9 1 1 A 10 10 VAL H H 10 8.220 7.674 0.546 1
1 121 . 9 1 1 A 10 10 VAL HA H 10 4.090 4.110 -0.020 1
1 129 . 9 1 1 A 10 10 VAL CA C 10 62.820 61.956 0.864 1
1 130 . 9 1 1 A 10 10 VAL CB C 10 32.450 32.029 0.421 1
1 133 . 9 1 1 A 10 10 VAL N N 10 124.500 120.822 3.678 1
1 134 . 9 1 1 A 11 11 THR H H 11 8.496 8.699 -0.203 1
1 135 . 9 1 1 A 11 11 THR HA H 11 4.670 4.367 0.303 1
1 140 . 9 1 1 A 11 11 THR CA C 11 63.830 61.843 1.987 1
1 141 . 9 1 1 A 11 11 THR CB C 11 68.980 69.582 -0.602 1
1 143 . 9 1 1 A 11 11 THR N N 11 123.600 119.864 3.736 1
1 144 . 9 1 1 A 12 12 LEU H H 12 9.700 8.926 0.774 1
1 145 . 9 1 1 A 12 12 LEU HA H 12 4.670 5.166 -0.496 1
1 155 . 9 1 1 A 12 12 LEU CA C 12 53.480 53.335 0.145 1
1 156 . 9 1 1 A 12 12 LEU CB C 12 46.060 46.003 0.057 1
1 160 . 9 1 1 A 12 12 LEU N N 12 129.900 126.597 3.303 1
1 161 . 9 1 1 A 13 13 GLU H H 13 8.500 8.803 -0.303 1
1 162 . 9 1 1 A 13 13 GLU HA H 13 4.850 4.997 -0.147 1
1 167 . 9 1 1 A 13 13 GLU CA C 13 54.500 54.595 -0.095 1
1 168 . 9 1 1 A 13 13 GLU CB C 13 31.600 32.866 -1.266 1
1 170 . 9 1 1 A 13 13 GLU N N 13 121.100 125.315 -4.215 1
1 171 . 9 1 1 A 14 14 MET H H 14 9.340 8.869 0.471 1
1 172 . 9 1 1 A 14 14 MET HA H 14 4.750 5.178 -0.428 1
1 180 . 9 1 1 A 14 14 MET CA C 14 55.380 54.592 0.788 1
1 181 . 9 1 1 A 14 14 MET CB C 14 33.823 35.214 -1.391 1
1 184 . 9 1 1 A 14 14 MET N N 14 124.300 125.744 -1.444 1
1 185 . 9 1 1 A 15 15 ALA H H 15 9.040 8.878 0.162 1
1 186 . 9 1 1 A 15 15 ALA HA H 15 4.490 4.226 0.264 1
1 190 . 9 1 1 A 15 15 ALA CA C 15 52.570 54.872 -2.302 1
1 191 . 9 1 1 A 15 15 ALA CB C 15 19.870 19.406 0.464 1
1 192 . 9 1 1 A 15 15 ALA N N 15 125.900 126.900 -1.000 1
1 193 . 9 1 1 A 16 16 ALA H H 16 7.880 7.404 0.476 1
1 194 . 9 1 1 A 16 16 ALA HA H 16 4.526 4.620 -0.094 1
1 198 . 9 1 1 A 16 16 ALA CA C 16 52.580 50.487 2.093 1
1 199 . 9 1 1 A 16 16 ALA CB C 16 21.400 18.950 2.450 1
1 200 . 9 1 1 A 16 16 ALA N N 16 119.400 119.598 -0.198 1
1 201 . 9 1 1 A 17 17 TYR H H 17 8.270 9.221 -0.951 1
1 202 . 9 1 1 A 17 17 TYR HA H 17 5.290 4.894 0.396 1
1 209 . 9 1 1 A 17 17 TYR CA C 17 59.160 56.867 2.293 1
1 210 . 9 1 1 A 17 17 TYR CB C 17 41.700 38.433 3.267 1
1 215 . 9 1 1 A 17 17 TYR N N 17 120.300 126.919 -6.619 1
1 216 . 9 1 1 A 18 18 GLN H H 18 8.610 8.412 0.198 1
1 217 . 9 1 1 A 18 18 GLN HA H 18 4.350 4.714 -0.364 1
1 224 . 9 1 1 A 18 18 GLN CA C 18 54.920 54.880 0.040 1
1 225 . 9 1 1 A 18 18 GLN CB C 18 32.570 30.173 2.397 1
1 227 . 9 1 1 A 18 18 GLN N N 18 128.000 128.580 -0.580 1
1 229 . 9 1 1 A 19 19 GLU H H 19 8.370 9.075 -0.705 1
1 230 . 9 1 1 A 19 19 GLU HA H 19 5.015 5.094 -0.079 1
1 235 . 9 1 1 A 19 19 GLU CA C 19 54.700 54.071 0.629 1
1 236 . 9 1 1 A 19 19 GLU CB C 19 34.800 34.292 0.508 1
1 238 . 9 1 1 A 19 19 GLU N N 19 122.900 123.610 -0.710 1
1 239 . 9 1 1 A 20 20 GLU H H 20 8.920 8.928 -0.008 1
1 240 . 9 1 1 A 20 20 GLU HA H 20 4.740 4.960 -0.220 1
1 245 . 9 1 1 A 20 20 GLU CA C 20 55.100 54.724 0.376 1
1 246 . 9 1 1 A 20 20 GLU CB C 20 33.800 32.369 1.431 1
1 248 . 9 1 1 A 20 20 GLU N N 20 123.300 120.182 3.118 1
1 249 . 9 1 1 A 21 21 SER H H 21 9.070 8.720 0.350 1
1 250 . 9 1 1 A 21 21 SER HA H 21 4.430 4.579 -0.149 1
1 253 . 9 1 1 A 21 21 SER CA C 21 59.300 59.360 -0.060 1
1 254 . 9 1 1 A 21 21 SER CB C 21 65.000 64.105 0.895 1
1 255 . 9 1 1 A 21 21 SER N N 21 114.800 120.365 -5.565 1
1 256 . 9 1 1 A 22 22 GLU H H 22 7.670 7.996 -0.326 1
1 257 . 9 1 1 A 22 22 GLU HA H 22 4.500 4.405 0.095 1
1 262 . 9 1 1 A 22 22 GLU CA C 22 53.100 58.729 -5.629 1
1 263 . 9 1 1 A 22 22 GLU CB C 22 31.750 30.698 1.052 1
1 265 . 9 1 1 A 22 22 GLU N N 22 119.913 119.857 0.056 1
1 266 . 9 1 1 A 23 23 PRO HA H 23 4.636 4.330 0.306 1
1 273 . 9 1 1 A 23 23 PRO CA C 23 64.200 64.678 -0.478 1
1 274 . 9 1 1 A 23 23 PRO CB C 23 34.200 31.835 2.365 1
1 277 . 9 1 1 A 24 24 LYS H H 24 7.370 7.556 -0.186 1
1 278 . 9 1 1 A 24 24 LYS HA H 24 4.480 4.549 -0.069 1
1 287 . 9 1 1 A 24 24 LYS CA C 24 54.200 55.863 -1.663 1
1 288 . 9 1 1 A 24 24 LYS CB C 24 36.400 36.229 0.171 1
1 292 . 9 1 1 A 24 24 LYS N N 24 119.400 115.496 3.904 1
1 293 . 9 1 1 A 25 25 ARG H H 25 8.730 8.274 0.456 1
1 294 . 9 1 1 A 25 25 ARG HA H 25 4.470 4.527 -0.057 1
1 302 . 9 1 1 A 25 25 ARG CA C 25 57.000 55.910 1.090 1
1 303 . 9 1 1 A 25 25 ARG CB C 25 28.900 29.406 -0.506 1
1 306 . 9 1 1 A 25 25 ARG N N 25 121.900 124.558 -2.658 1
1 308 . 9 1 1 A 26 26 LYS H H 26 8.220 9.097 -0.877 1
1 309 . 9 1 1 A 26 26 LYS HA H 26 5.270 5.147 0.123 1
1 318 . 9 1 1 A 26 26 LYS CA C 26 55.000 54.556 0.444 1
1 319 . 9 1 1 A 26 26 LYS CB C 26 36.900 35.975 0.925 1
1 323 . 9 1 1 A 26 26 LYS N N 26 124.500 119.489 5.011 1
1 324 . 9 1 1 A 27 27 ILE H H 27 9.100 9.185 -0.085 1
1 325 . 9 1 1 A 27 27 ILE HA H 27 5.320 4.907 0.413 1
1 335 . 9 1 1 A 27 27 ILE CA C 27 59.000 59.418 -0.418 1
1 336 . 9 1 1 A 27 27 ILE CB C 27 42.480 40.744 1.736 1
1 340 . 9 1 1 A 27 27 ILE N N 27 116.400 119.550 -3.150 1
1 341 . 9 1 1 A 28 28 ALA H H 28 8.730 9.102 -0.372 1
1 342 . 9 1 1 A 28 28 ALA HA H 28 5.460 4.827 0.633 1
1 346 . 9 1 1 A 28 28 ALA CA C 28 50.600 50.763 -0.163 1
1 347 . 9 1 1 A 28 28 ALA CB C 28 21.960 20.146 1.814 1
1 348 . 9 1 1 A 28 28 ALA N N 28 124.900 126.767 -1.867 1
1 349 . 9 1 1 A 29 29 PHE H H 29 8.750 7.895 0.855 1
1 350 . 9 1 1 A 29 29 PHE HA H 29 5.420 5.273 0.147 1
1 355 . 9 1 1 A 29 29 PHE CA C 29 55.680 55.639 0.041 1
1 356 . 9 1 1 A 29 29 PHE CB C 29 43.100 40.591 2.509 1
1 359 . 9 1 1 A 29 29 PHE N N 29 118.800 121.421 -2.621 1
1 360 . 9 1 1 A 30 30 THR H H 30 7.980 9.273 -1.293 1
1 361 . 9 1 1 A 30 30 THR HA H 30 5.690 5.063 0.627 1
1 366 . 9 1 1 A 30 30 THR CA C 30 59.900 63.004 -3.104 1
1 367 . 9 1 1 A 30 30 THR CB C 30 71.130 69.079 2.051 1
1 369 . 9 1 1 A 30 30 THR N N 30 114.100 119.051 -4.951 1
1 370 . 9 1 1 A 31 31 LEU H H 31 9.360 9.371 -0.011 1
1 371 . 9 1 1 A 31 31 LEU HA H 31 5.020 5.243 -0.223 1
1 381 . 9 1 1 A 31 31 LEU CA C 31 52.990 53.691 -0.701 1
1 382 . 9 1 1 A 31 31 LEU CB C 31 45.400 44.513 0.887 1
1 386 . 9 1 1 A 31 31 LEU N N 31 125.300 129.781 -4.481 1
1 387 . 9 1 1 A 32 32 ASN H H 32 9.160 8.896 0.264 1
1 388 . 9 1 1 A 32 32 ASN HA H 32 5.210 6.075 -0.865 1
1 393 . 9 1 1 A 32 32 ASN CA C 32 52.660 52.542 0.118 1
1 394 . 9 1 1 A 32 32 ASN CB C 32 38.600 37.878 0.722 1
1 395 . 9 1 1 A 32 32 ASN N N 32 123.600 125.327 -1.727 1
1 397 . 9 1 1 A 33 33 VAL H H 33 8.880 8.507 0.373 1
1 398 . 9 1 1 A 33 33 VAL HA H 33 4.080 4.315 -0.235 1
1 406 . 9 1 1 A 33 33 VAL CA C 33 61.940 63.133 -1.193 1
1 407 . 9 1 1 A 33 33 VAL CB C 33 34.600 32.208 2.392 1
1 410 . 9 1 1 A 33 33 VAL N N 33 124.500 125.255 -0.755 1
1 411 . 9 1 1 A 34 34 THR H H 34 7.650 8.371 -0.721 1
1 412 . 9 1 1 A 34 34 THR HA H 34 5.130 4.854 0.276 1
1 417 . 9 1 1 A 34 34 THR CA C 34 59.200 60.175 -0.975 1
1 418 . 9 1 1 A 34 34 THR CB C 34 72.830 71.836 0.994 1
1 420 . 9 1 1 A 34 34 THR N N 34 114.300 117.966 -3.666 1
1 421 . 9 1 1 A 35 35 SER H H 35 9.330 8.976 0.354 1
1 422 . 9 1 1 A 35 35 SER HA H 35 4.020 4.551 -0.531 1
1 425 . 9 1 1 A 35 35 SER CA C 35 62.000 59.090 2.910 1
1 426 . 9 1 1 A 35 35 SER CB C 35 62.400 63.410 -1.010 1
1 427 . 9 1 1 A 35 35 SER N N 35 116.200 117.444 -1.244 1
1 428 . 9 1 1 A 36 36 GLU H H 36 8.360 7.908 0.452 1
1 429 . 9 1 1 A 36 36 GLU HA H 36 4.330 4.197 0.133 1
1 434 . 9 1 1 A 36 36 GLU CA C 36 58.900 59.468 -0.568 1
1 435 . 9 1 1 A 36 36 GLU CB C 36 30.200 29.704 0.496 1
1 437 . 9 1 1 A 36 36 GLU N N 36 119.200 121.003 -1.803 1
1 438 . 9 1 1 A 37 37 THR H H 37 7.580 7.888 -0.308 1
1 439 . 9 1 1 A 37 37 THR HA H 37 4.650 4.599 0.051 1
1 444 . 9 1 1 A 37 37 THR CA C 37 61.620 60.909 0.711 1
1 445 . 9 1 1 A 37 37 THR CB C 37 70.630 69.695 0.935 1
1 447 . 9 1 1 A 37 37 THR N N 37 108.800 112.770 -3.970 1
1 448 . 9 1 1 A 38 38 TYR H H 38 7.990 7.834 0.156 1
1 449 . 9 1 1 A 38 38 TYR HA H 38 3.890 4.215 -0.325 1
1 456 . 9 1 1 A 38 38 TYR CA C 38 61.980 61.660 0.320 1
1 457 . 9 1 1 A 38 38 TYR CB C 38 38.600 38.486 0.114 1
1 462 . 9 1 1 A 38 38 TYR N N 38 121.700 124.855 -3.155 1
1 463 . 9 1 1 A 39 39 HIS H H 39 8.770 8.167 0.603 1
1 464 . 9 1 1 A 39 39 HIS HA H 39 3.950 4.070 -0.120 1
1 468 . 9 1 1 A 39 39 HIS CA C 39 60.450 59.939 0.511 1
1 469 . 9 1 1 A 39 39 HIS CB C 39 28.350 29.727 -1.377 1
1 471 . 9 1 1 A 39 39 HIS N N 39 116.400 119.578 -3.178 1
1 472 . 9 1 1 A 40 40 ASP H H 40 8.180 8.555 -0.375 1
1 473 . 9 1 1 A 40 40 ASP HA H 40 4.280 4.211 0.069 1
1 476 . 9 1 1 A 40 40 ASP CA C 40 57.230 56.739 0.491 1
1 477 . 9 1 1 A 40 40 ASP CB C 40 39.980 39.630 0.350 1
1 478 . 9 1 1 A 40 40 ASP N N 40 117.200 118.070 -0.870 1
1 479 . 9 1 1 A 41 41 ILE H H 41 7.700 7.405 0.295 1
1 480 . 9 1 1 A 41 41 ILE HA H 41 3.740 3.756 -0.016 1
1 490 . 9 1 1 A 41 41 ILE CA C 41 63.400 65.070 -1.670 1
1 491 . 9 1 1 A 41 41 ILE CB C 41 37.000 37.204 -0.204 1
1 495 . 9 1 1 A 41 41 ILE N N 41 120.600 121.019 -0.419 1
1 496 . 9 1 1 A 42 42 ALA H H 42 8.630 7.661 0.969 1
1 497 . 9 1 1 A 42 42 ALA HA H 42 3.790 3.857 -0.067 1
1 501 . 9 1 1 A 42 42 ALA CA C 42 55.780 54.651 1.129 1
1 502 . 9 1 1 A 42 42 ALA CB C 42 17.400 17.575 -0.175 1
1 503 . 9 1 1 A 42 42 ALA N N 42 122.900 122.215 0.685 1
1 504 . 9 1 1 A 43 43 VAL H H 43 7.650 7.089 0.561 1
1 505 . 9 1 1 A 43 43 VAL HA H 43 3.390 3.748 -0.358 1
1 513 . 9 1 1 A 43 43 VAL CA C 43 65.700 66.004 -0.304 1
1 514 . 9 1 1 A 43 43 VAL CB C 43 31.740 31.794 -0.054 1
1 517 . 9 1 1 A 43 43 VAL N N 43 114.600 116.457 -1.857 1
1 518 . 9 1 1 A 44 44 LEU H H 44 7.250 7.222 0.028 1
1 519 . 9 1 1 A 44 44 LEU HA H 44 4.300 4.217 0.083 1
1 529 . 9 1 1 A 44 44 LEU CA C 44 57.900 54.637 3.263 1
1 530 . 9 1 1 A 44 44 LEU CB C 44 42.250 41.505 0.745 1
1 534 . 9 1 1 A 44 44 LEU N N 44 122.800 122.304 0.496 1
1 535 . 9 1 1 A 45 45 LEU H H 45 8.060 8.707 -0.647 1
1 536 . 9 1 1 A 45 45 LEU HA H 45 4.430 4.871 -0.441 1
1 546 . 9 1 1 A 45 45 LEU CA C 45 55.200 53.155 2.045 1
1 547 . 9 1 1 A 45 45 LEU CB C 45 41.600 43.257 -1.657 1
1 551 . 9 1 1 A 46 46 TYR H H 46 8.040 8.133 -0.093 1
1 552 . 9 1 1 A 46 46 TYR HA H 46 5.380 4.394 0.986 1
1 559 . 9 1 1 A 46 46 TYR CA C 46 56.900 60.343 -3.443 1
1 560 . 9 1 1 A 46 46 TYR CB C 46 40.500 37.356 3.144 1
1 565 . 9 1 1 A 46 46 TYR N N 46 122.700 127.042 -4.342 1
1 566 . 9 1 1 A 47 47 GLU HA H 47 4.000 4.789 -0.789 1
1 571 . 9 1 1 A 47 47 GLU CA C 47 57.700 55.505 2.195 1
1 572 . 9 1 1 A 47 47 GLU CB C 47 29.800 32.864 -3.064 1
1 574 . 9 1 1 A 48 48 LYS HA H 48 4.660 4.505 0.155 1
1 583 . 9 1 1 A 48 48 LYS CA C 48 57.450 54.518 2.932 1
1 584 . 9 1 1 A 48 48 LYS CB C 48 36.800 32.498 4.302 1
1 588 . 9 1 1 A 49 49 THR H H 49 7.540 8.231 -0.691 1
1 589 . 9 1 1 A 49 49 THR HA H 49 4.830 4.621 0.209 1
1 594 . 9 1 1 A 49 49 THR CA C 49 60.360 61.451 -1.091 1
1 595 . 9 1 1 A 49 49 THR CB C 49 70.850 69.906 0.944 1
1 597 . 9 1 1 A 49 49 THR N N 49 115.800 109.883 5.917 1
1 598 . 9 1 1 A 50 50 PHE H H 50 9.030 8.894 0.136 1
1 599 . 9 1 1 A 50 50 PHE HA H 50 5.150 5.242 -0.092 1
1 606 . 9 1 1 A 50 50 PHE CA C 50 55.680 55.900 -0.220 1
1 607 . 9 1 1 A 50 50 PHE CB C 50 44.220 42.217 2.003 1
1 612 . 9 1 1 A 50 50 PHE N N 50 118.300 120.240 -1.940 1
1 613 . 9 1 1 A 51 51 ASN H H 51 8.810 8.762 0.048 1
1 614 . 9 1 1 A 51 51 ASN HA H 51 4.920 5.133 -0.213 1
1 619 . 9 1 1 A 51 51 ASN CA C 51 53.960 52.247 1.713 1
1 620 . 9 1 1 A 51 51 ASN CB C 51 37.900 38.449 -0.549 1
1 621 . 9 1 1 A 51 51 ASN N N 51 121.100 121.485 -0.385 1
1 623 . 9 1 1 A 52 52 VAL H H 52 9.140 9.024 0.116 1
1 624 . 9 1 1 A 52 52 VAL HA H 52 4.370 4.340 0.030 1
1 632 . 9 1 1 A 52 52 VAL CA C 52 61.660 62.664 -1.004 1
1 633 . 9 1 1 A 52 52 VAL CB C 52 32.590 31.690 0.900 1
1 636 . 9 1 1 A 52 52 VAL N N 52 129.300 125.482 3.818 1
1 637 . 9 1 1 A 53 53 GLU H H 53 9.020 8.971 0.049 1
1 638 . 9 1 1 A 53 53 GLU HA H 53 5.090 5.325 -0.235 1
1 643 . 9 1 1 A 53 53 GLU CA C 53 55.500 54.840 0.660 1
1 644 . 9 1 1 A 53 53 GLU CB C 53 31.940 31.819 0.121 1
1 646 . 9 1 1 A 53 53 GLU N N 53 125.400 127.894 -2.494 1
1 647 . 9 1 1 A 54 54 VAL H H 54 8.840 8.661 0.179 1
1 648 . 9 1 1 A 54 54 VAL HA H 54 4.680 4.801 -0.121 1
1 656 . 9 1 1 A 54 54 VAL CA C 54 58.900 58.675 0.225 1
1 657 . 9 1 1 A 54 54 VAL CB C 54 31.900 33.362 -1.462 1
1 660 . 9 1 1 A 54 54 VAL N N 54 123.100 125.146 -2.046 1
1 661 . 9 1 1 A 55 55 PRO HA H 55 4.480 4.297 0.183 1
1 668 . 9 1 1 A 55 55 PRO CA C 55 65.720 64.877 0.843 1
1 669 . 9 1 1 A 55 55 PRO CB C 55 32.040 32.080 -0.040 1
1 672 . 9 1 1 A 56 56 GLU H H 56 10.050 8.402 1.648 1
1 673 . 9 1 1 A 56 56 GLU HA H 56 4.145 4.119 0.026 1
1 678 . 9 1 1 A 56 56 GLU CA C 56 58.580 59.446 -0.866 1
1 679 . 9 1 1 A 56 56 GLU CB C 56 30.000 29.535 0.465 1
1 681 . 9 1 1 A 56 56 GLU N N 56 118.000 117.857 0.143 1
1 682 . 9 1 1 A 57 57 ARG H H 57 7.550 7.305 0.245 1
1 683 . 9 1 1 A 57 57 ARG HA H 57 4.480 4.544 -0.064 1
1 691 . 9 1 1 A 57 57 ARG CA C 57 52.560 54.687 -2.127 1
1 692 . 9 1 1 A 57 57 ARG CB C 57 29.990 30.695 -0.705 1
1 695 . 9 1 1 A 57 57 ARG N N 57 116.400 116.766 -0.366 1
1 697 . 9 1 1 A 58 58 ASP H H 58 7.920 8.149 -0.229 1
1 698 . 9 1 1 A 58 58 ASP HA H 58 4.250 4.294 -0.044 1
1 701 . 9 1 1 A 58 58 ASP CA C 58 55.420 54.977 0.443 1
1 702 . 9 1 1 A 58 58 ASP CB C 58 39.860 38.544 1.316 1
1 703 . 9 1 1 A 58 58 ASP N N 58 118.400 117.963 0.437 1
1 704 . 9 1 1 A 59 59 LEU H H 59 6.930 7.572 -0.642 1
1 705 . 9 1 1 A 59 59 LEU HA H 59 4.770 4.752 0.018 1
1 715 . 9 1 1 A 59 59 LEU CA C 59 53.830 53.870 -0.040 1
1 716 . 9 1 1 A 59 59 LEU CB C 59 45.800 42.944 2.856 1
1 720 . 9 1 1 A 59 59 LEU N N 59 116.500 122.205 -5.705 1
1 721 . 9 1 1 A 60 60 ALA H H 60 8.690 8.952 -0.262 1
1 722 . 9 1 1 A 60 60 ALA HA H 60 5.353 5.157 0.196 1
1 726 . 9 1 1 A 60 60 ALA CA C 60 52.020 50.662 1.358 1
1 727 . 9 1 1 A 60 60 ALA CB C 60 21.060 19.638 1.422 1
1 728 . 9 1 1 A 60 60 ALA N N 60 130.000 130.586 -0.586 1
1 729 . 9 1 1 A 61 61 PHE H H 61 8.470 9.064 -0.594 1
1 730 . 9 1 1 A 61 61 PHE HA H 61 4.933 5.252 -0.319 1
1 737 . 9 1 1 A 61 61 PHE CA C 61 56.500 56.875 -0.375 1
1 738 . 9 1 1 A 61 61 PHE CB C 61 39.720 42.600 -2.880 1
1 743 . 9 1 1 A 61 61 PHE N N 61 117.500 125.347 -7.847 1
1 744 . 9 1 1 A 62 62 ARG H H 62 9.270 8.598 0.672 1
1 745 . 9 1 1 A 62 62 ARG HA H 62 5.290 5.115 0.175 1
1 753 . 9 1 1 A 62 62 ARG CA C 62 54.950 55.084 -0.134 1
1 754 . 9 1 1 A 62 62 ARG CB C 62 30.800 31.088 -0.288 1
1 757 . 9 1 1 A 62 62 ARG N N 62 122.500 128.894 -6.394 1
1 759 . 9 1 1 A 63 63 GLY H H 63 9.370 8.625 0.745 1
1 760 . 9 1 1 A 63 63 GLY HA2 H 63 5.440 4.008 1.432 1
1 761 . 9 1 1 A 63 63 GLY HA3 H 63 3.460 4.264 -0.804 1
1 762 . 9 1 1 A 63 63 GLY CA C 63 45.000 44.558 0.442 1
1 763 . 9 1 1 A 63 63 GLY N N 63 112.700 113.459 -0.759 1
1 764 . 9 1 1 A 64 64 GLU H H 64 9.090 8.745 0.345 1
1 765 . 9 1 1 A 64 64 GLU HA H 64 5.410 5.110 0.300 1
1 770 . 9 1 1 A 64 64 GLU CA C 64 53.160 54.117 -0.957 1
1 771 . 9 1 1 A 64 64 GLU CB C 64 33.500 33.757 -0.257 1
1 773 . 9 1 1 A 64 64 GLU N N 64 118.400 116.986 1.414 1
1 774 . 9 1 1 A 65 65 MET H H 65 9.320 8.810 0.510 1
1 775 . 9 1 1 A 65 65 MET HA H 65 5.070 5.120 -0.050 1
1 783 . 9 1 1 A 65 65 MET CA C 65 56.700 54.038 2.662 1
1 784 . 9 1 1 A 65 65 MET CB C 65 34.500 32.867 1.633 1
1 787 . 9 1 1 A 65 65 MET N N 65 124.900 121.498 3.402 1
1 788 . 9 1 1 A 66 66 THR H H 66 8.970 8.552 0.418 1
1 789 . 9 1 1 A 66 66 THR HA H 66 4.480 4.141 0.339 1
1 794 . 9 1 1 A 66 66 THR CA C 66 61.970 63.476 -1.506 1
1 795 . 9 1 1 A 66 66 THR CB C 66 69.160 69.473 -0.313 1
1 797 . 9 1 1 A 66 66 THR N N 66 120.300 119.302 0.998 1
1 798 . 9 1 1 A 67 67 ASN H H 67 7.850 7.674 0.176 1
1 799 . 9 1 1 A 67 67 ASN HA H 67 4.850 3.292 1.558 1
1 804 . 9 1 1 A 67 67 ASN CA C 67 54.240 53.376 0.864 1
1 805 . 9 1 1 A 67 67 ASN CB C 67 41.900 36.663 5.237 1
1 806 . 9 1 1 A 67 67 ASN N N 67 119.200 117.176 2.024 1
1 808 . 9 1 1 A 68 68 TYR H H 68 8.720 8.646 0.074 1
1 809 . 9 1 1 A 68 68 TYR HA H 68 4.611 4.590 0.021 1
1 812 . 9 1 1 A 68 68 TYR CA C 68 54.600 60.124 -5.524 1
1 813 . 9 1 1 A 68 68 TYR CB C 68 41.180 40.309 0.871 1
1 814 . 9 1 1 A 68 68 TYR N N 68 123.200 124.597 -1.397 1
1 815 . 9 1 1 A 69 69 SER H H 69 8.160 7.862 0.298 1
1 816 . 9 1 1 A 69 69 SER HA H 69 4.450 4.925 -0.475 1
1 819 . 9 1 1 A 69 69 SER CA C 69 58.913 56.166 2.747 1
1 820 . 9 1 1 A 69 69 SER CB C 69 65.000 65.890 -0.890 1
1 821 . 9 1 1 A 69 69 SER N N 69 115.000 113.271 1.729 1
1 822 . 9 1 1 A 70 70 THR H H 70 8.250 8.556 -0.306 1
1 823 . 9 1 1 A 70 70 THR HA H 70 4.200 4.822 -0.622 1
1 828 . 9 1 1 A 70 70 THR CA C 70 62.200 61.011 1.189 1
1 829 . 9 1 1 A 70 70 THR CB C 70 70.060 69.008 1.052 1
1 831 . 9 1 1 A 70 70 THR N N 70 111.000 117.033 -6.033 1
1 832 . 9 1 1 A 71 71 SER HA H 71 4.610 4.788 -0.178 1
1 835 . 9 1 1 A 71 71 SER CA C 71 58.100 57.243 0.857 1
1 836 . 9 1 1 A 71 71 SER CB C 71 63.600 63.822 -0.222 1
1 837 . 9 1 1 A 72 72 LEU H H 72 8.290 7.332 0.958 1
1 838 . 9 1 1 A 72 72 LEU HA H 72 4.300 3.902 0.398 1
1 847 . 9 1 1 A 72 72 LEU CA C 72 56.500 53.598 2.902 1
1 848 . 9 1 1 A 72 72 LEU CB C 72 40.600 40.675 -0.075 1
1 852 . 9 1 1 A 72 72 LEU N N 72 122.300 123.157 -0.857 1
1 853 . 9 1 1 A 73 73 THR H H 73 8.000 7.921 0.079 1
1 854 . 9 1 1 A 73 73 THR HA H 73 5.110 4.046 1.064 1
1 859 . 9 1 1 A 73 73 THR CA C 73 59.300 63.742 -4.442 1
1 860 . 9 1 1 A 73 73 THR CB C 73 71.950 68.026 3.924 1
1 862 . 9 1 1 A 74 74 ASN H H 74 8.370 8.680 -0.310 1
1 863 . 9 1 1 A 74 74 ASN HA H 74 4.660 5.357 -0.697 1
1 868 . 9 1 1 A 74 74 ASN CA C 74 52.780 51.750 1.030 1
1 869 . 9 1 1 A 74 74 ASN CB C 74 38.360 41.637 -3.277 1
1 870 . 9 1 1 A 74 74 ASN N N 74 121.500 125.564 -4.064 1
1 872 . 9 1 1 A 75 75 LEU H H 75 8.020 9.186 -1.166 1
1 873 . 9 1 1 A 75 75 LEU HA H 75 3.970 4.392 -0.422 1
1 883 . 9 1 1 A 75 75 LEU CA C 75 55.500 56.661 -1.161 1
1 884 . 9 1 1 A 75 75 LEU CB C 75 41.800 41.081 0.719 1
1 888 . 9 1 1 A 75 75 LEU N N 75 123.200 126.708 -3.508 1
1 889 . 9 1 1 A 76 76 TYR H H 76 7.930 8.464 -0.534 1
1 890 . 9 1 1 A 76 76 TYR HA H 76 4.450 4.327 0.123 1
1 897 . 9 1 1 A 76 76 TYR CA C 76 58.000 58.621 -0.621 1
1 898 . 9 1 1 A 76 76 TYR CB C 76 37.700 37.260 0.440 1
1 903 . 9 1 1 A 76 76 TYR N N 76 116.100 116.888 -0.788 1
1 904 . 9 1 1 A 77 77 GLU H H 77 7.410 8.591 -1.181 1
1 905 . 9 1 1 A 77 77 GLU HA H 77 4.650 4.673 -0.023 1
1 910 . 9 1 1 A 77 77 GLU CA C 77 53.700 53.123 0.577 1
1 911 . 9 1 1 A 77 77 GLU CB C 77 30.200 30.568 -0.368 1
1 913 . 9 1 1 A 77 77 GLU N N 77 122.300 125.813 -3.513 1
1 914 . 9 1 1 A 78 78 PRO HA H 78 4.340 4.610 -0.270 1
1 921 . 9 1 1 A 78 78 PRO CA C 78 64.000 63.788 0.212 1
1 922 . 9 1 1 A 78 78 PRO CB C 78 31.740 32.709 -0.969 1
1 925 . 9 1 1 A 79 79 GLY H H 79 8.980 7.898 1.082 1
1 926 . 9 1 1 A 79 79 GLY HA2 H 79 3.822 4.072 -0.250 1
1 927 . 9 1 1 A 79 79 GLY HA3 H 79 4.090 4.077 0.013 1
1 928 . 9 1 1 A 79 79 GLY CA C 79 45.570 44.636 0.934 1
1 929 . 9 1 1 A 79 79 GLY N N 79 112.300 110.085 2.215 1
1 930 . 9 1 1 A 80 80 ALA H H 80 7.670 8.227 -0.557 1
1 931 . 9 1 1 A 80 80 ALA HA H 80 4.300 5.058 -0.758 1
1 935 . 9 1 1 A 80 80 ALA CA C 80 52.880 51.798 1.082 1
1 936 . 9 1 1 A 80 80 ALA CB C 80 20.670 20.507 0.163 1
1 937 . 9 1 1 A 80 80 ALA N N 80 123.200 123.281 -0.081 1
1 938 . 9 1 1 A 81 81 VAL H H 81 8.280 8.648 -0.368 1
1 939 . 9 1 1 A 81 81 VAL HA H 81 4.410 4.355 0.055 1
1 947 . 9 1 1 A 81 81 VAL CA C 81 61.540 63.107 -1.567 1
1 948 . 9 1 1 A 81 81 VAL CB C 81 34.000 33.422 0.578 1
1 951 . 9 1 1 A 82 82 SER H H 82 8.970 8.844 0.126 1
1 952 . 9 1 1 A 82 82 SER HA H 82 4.685 4.438 0.247 1
1 955 . 9 1 1 A 82 82 SER CA C 82 57.180 58.962 -1.782 1
1 956 . 9 1 1 A 82 82 SER CB C 82 65.200 62.582 2.618 1
1 957 . 9 1 1 A 82 82 SER N N 82 122.000 116.602 5.398 1
1 958 . 9 1 1 A 83 83 GLU H H 83 8.360 8.428 -0.068 1
1 959 . 9 1 1 A 83 83 GLU HA H 83 4.500 4.410 0.090 1
1 964 . 9 1 1 A 83 83 GLU CA C 83 53.020 56.431 -3.411 1
1 965 . 9 1 1 A 83 83 GLU CB C 83 31.800 29.801 1.999 1
1 967 . 9 1 1 A 83 83 GLU N N 83 122.800 126.060 -3.260 1
1 968 . 9 1 1 A 84 84 PHE H H 84 9.160 9.389 -0.229 1
1 969 . 9 1 1 A 84 84 PHE HA H 84 4.920 5.234 -0.314 1
1 977 . 9 1 1 A 84 84 PHE CA C 84 54.840 56.891 -2.051 1
1 978 . 9 1 1 A 84 84 PHE CB C 84 40.690 42.721 -2.031 1
1 984 . 9 1 1 A 84 84 PHE N N 84 123.800 124.913 -1.113 1
1 985 . 9 1 1 A 85 85 TYR H H 85 8.810 8.994 -0.184 1
1 986 . 9 1 1 A 85 85 TYR HA H 85 5.050 5.570 -0.520 1
1 993 . 9 1 1 A 85 85 TYR CA C 85 56.190 56.165 0.025 1
1 994 . 9 1 1 A 85 85 TYR CB C 85 37.800 41.400 -3.600 1
1 999 . 9 1 1 A 85 85 TYR N N 85 123.600 117.532 6.068 1
1 1000 . 9 1 1 A 86 86 ILE H H 86 8.340 8.608 -0.268 1
1 1001 . 9 1 1 A 86 86 ILE HA H 86 4.520 4.276 0.244 1
1 1011 . 9 1 1 A 86 86 ILE CA C 86 59.340 59.980 -0.640 1
1 1012 . 9 1 1 A 86 86 ILE CB C 86 40.300 39.632 0.668 1
1 1016 . 9 1 1 A 86 86 ILE N N 86 126.200 123.114 3.086 1
1 1017 . 9 1 1 A 87 87 GLU H H 87 8.200 8.892 -0.692 1
1 1018 . 9 1 1 A 87 87 GLU HA H 87 5.330 5.390 -0.060 1
1 1023 . 9 1 1 A 87 87 GLU CA C 87 54.500 54.602 -0.102 1
1 1024 . 9 1 1 A 87 87 GLU CB C 87 34.100 32.484 1.616 1
1 1026 . 9 1 1 A 87 87 GLU N N 87 124.600 128.508 -3.908 1
1 1027 . 9 1 1 A 88 88 ILE H H 88 9.250 9.254 -0.004 1
1 1028 . 9 1 1 A 88 88 ILE HA H 88 5.080 4.913 0.167 1
1 1038 . 9 1 1 A 88 88 ILE CA C 88 59.900 60.221 -0.321 1
1 1039 . 9 1 1 A 88 88 ILE CB C 88 42.100 39.324 2.776 1
1 1043 . 9 1 1 A 88 88 ILE N N 88 124.900 128.912 -4.012 1
1 1044 . 9 1 1 A 89 89 THR H H 89 9.020 8.739 0.281 1
1 1045 . 9 1 1 A 89 89 THR HA H 89 4.960 4.788 0.172 1
1 1050 . 9 1 1 A 89 89 THR CA C 89 61.600 61.792 -0.192 1
1 1051 . 9 1 1 A 89 89 THR CB C 89 70.000 70.343 -0.343 1
1 1053 . 9 1 1 A 89 89 THR N N 89 122.900 122.920 -0.020 1
1 1054 . 9 1 1 A 90 90 GLU H H 90 8.910 8.074 0.836 1
1 1055 . 9 1 1 A 90 90 GLU HA H 90 4.730 4.536 0.194 1
1 1060 . 9 1 1 A 90 90 GLU CA C 90 57.300 57.659 -0.359 1
1 1061 . 9 1 1 A 90 90 GLU CB C 90 30.570 30.221 0.349 1
1 1063 . 9 1 1 A 90 90 GLU N N 90 128.600 123.564 5.036 1
1 1064 . 9 1 1 A 91 91 ILE H H 91 8.550 8.539 0.011 1
1 1065 . 9 1 1 A 91 91 ILE HA H 91 4.230 4.206 0.024 1
1 1075 . 9 1 1 A 91 91 ILE CA C 91 61.400 62.377 -0.977 1
1 1076 . 9 1 1 A 91 91 ILE CB C 91 39.800 38.691 1.109 1
1 1080 . 9 1 1 A 91 91 ILE N N 91 124.600 127.879 -3.279 1
1 1081 . 9 1 1 A 92 92 ASP H H 92 8.550 8.734 -0.184 1
1 1082 . 9 1 1 A 92 92 ASP HA H 92 4.612 5.014 -0.402 1
1 1085 . 9 1 1 A 92 92 ASP CA C 92 54.370 52.714 1.656 1
1 1086 . 9 1 1 A 92 92 ASP CB C 92 41.570 43.224 -1.654 1
1 1087 . 9 1 1 A 92 92 ASP N N 92 124.100 128.582 -4.482 1
1 1088 . 9 1 1 A 93 93 LYS H H 93 8.530 8.811 -0.281 1
1 1089 . 9 1 1 A 93 93 LYS HA H 93 4.240 4.262 -0.022 1
1 1098 . 9 1 1 A 93 93 LYS CA C 93 57.100 57.345 -0.245 1
1 1099 . 9 1 1 A 93 93 LYS CB C 93 32.900 32.516 0.384 1
1 1103 . 9 1 1 A 93 93 LYS N N 93 123.200 122.742 0.458 1
1 1104 . 9 1 1 A 94 94 ASN H H 94 8.590 8.160 0.430 1
1 1105 . 9 1 1 A 94 94 ASN HA H 94 4.680 4.476 0.204 1
1 1110 . 9 1 1 A 94 94 ASN CA C 94 53.300 56.159 -2.859 1
1 1111 . 9 1 1 A 94 94 ASN CB C 94 38.700 38.518 0.182 1
1 1112 . 9 1 1 A 94 94 ASN N N 94 118.800 118.116 0.684 1
1 1114 . 9 1 1 A 95 95 ALA H H 95 8.110 7.094 1.016 1
1 1115 . 9 1 1 A 95 95 ALA HA H 95 4.270 4.277 -0.007 1
1 1119 . 9 1 1 A 95 95 ALA CA C 95 53.160 54.701 -1.541 1
1 1120 . 9 1 1 A 95 95 ALA CB C 95 19.100 19.203 -0.103 1
1 1121 . 9 1 1 A 95 95 ALA N N 95 123.990 120.726 3.264 1
1 1122 . 9 1 1 A 96 96 ASP H H 96 8.290 7.771 0.519 1
1 1123 . 9 1 1 A 96 96 ASP HA H 96 4.610 5.075 -0.465 1
1 1126 . 9 1 1 A 96 96 ASP CA C 96 54.400 52.822 1.578 1
1 1127 . 9 1 1 A 96 96 ASP CB C 96 41.300 45.523 -4.223 1
1 1128 . 9 1 1 A 96 96 ASP N N 96 119.100 115.182 3.918 1
1 1129 . 9 1 1 A 97 97 SER H H 97 8.150 8.530 -0.380 1
1 1130 . 9 1 1 A 97 97 SER HA H 97 4.380 4.733 -0.353 1
1 1133 . 9 1 1 A 97 97 SER CA C 97 58.600 57.286 1.314 1
1 1134 . 9 1 1 A 97 97 SER CB C 97 63.600 64.747 -1.147 1
1 1135 . 9 1 1 A 97 97 SER N N 97 115.800 116.826 -1.026 1
1 1136 . 9 1 1 A 98 98 LEU H H 98 8.240 7.449 0.791 1
1 1137 . 9 1 1 A 98 98 LEU HA H 98 4.260 4.499 -0.239 1
1 1147 . 9 1 1 A 98 98 LEU CA C 98 55.650 53.681 1.969 1
1 1148 . 9 1 1 A 98 98 LEU CB C 98 42.190 43.222 -1.032 1
1 1152 . 9 1 1 A 98 98 LEU N N 98 123.500 123.339 0.161 1
1 1153 . 9 1 1 A 99 99 GLU H H 99 8.190 8.706 -0.516 1
1 1154 . 9 1 1 A 99 99 GLU HA H 99 4.130 4.377 -0.247 1
1 1159 . 9 1 1 A 99 99 GLU CA C 99 56.850 56.428 0.422 1
1 1160 . 9 1 1 A 99 99 GLU CB C 99 29.900 30.149 -0.249 1
1 1162 . 9 1 1 A 99 99 GLU N N 99 119.900 127.085 -7.185 1
1 1163 . 9 1 1 A 100 100 HIS H H 100 8.200 8.527 -0.327 1
1 1164 . 9 1 1 A 100 100 HIS HA H 100 4.560 4.355 0.205 1
1 1168 . 9 1 1 A 100 100 HIS CA C 100 55.835 54.240 1.595 1
1 1169 . 9 1 1 A 100 100 HIS CB C 100 30.370 27.912 2.458 1
1 13 . 10 1 1 A 2 2 VAL H H 2 8.440 8.508 -0.068 1
1 14 . 10 1 1 A 2 2 VAL HA H 2 3.790 4.449 -0.659 1
1 22 . 10 1 1 A 2 2 VAL CA C 2 62.900 63.227 -0.327 1
1 23 . 10 1 1 A 2 2 VAL CB C 2 32.100 30.361 1.739 1
1 26 . 10 1 1 A 2 2 VAL N N 2 125.800 119.224 6.576 1
1 27 . 10 1 1 A 3 3 LYS H H 3 8.980 9.118 -0.138 1
1 28 . 10 1 1 A 3 3 LYS HA H 3 4.650 4.408 0.242 1
1 37 . 10 1 1 A 3 3 LYS CA C 3 57.100 57.309 -0.209 1
1 38 . 10 1 1 A 3 3 LYS CB C 3 36.400 35.273 1.127 1
1 42 . 10 1 1 A 3 3 LYS N N 3 124.600 128.093 -3.493 1
1 43 . 10 1 1 A 4 4 THR H H 4 7.740 9.022 -1.282 1
1 44 . 10 1 1 A 4 4 THR HA H 4 4.310 4.492 -0.182 1
1 49 . 10 1 1 A 4 4 THR CA C 4 64.990 61.934 3.056 1
1 50 . 10 1 1 A 4 4 THR CB C 4 68.700 68.383 0.317 1
1 52 . 10 1 1 A 4 4 THR N N 4 117.900 115.316 2.584 1
1 53 . 10 1 1 A 5 5 LEU H H 5 8.460 8.896 -0.436 1
1 54 . 10 1 1 A 5 5 LEU HA H 5 4.850 5.153 -0.303 1
1 64 . 10 1 1 A 5 5 LEU CA C 5 52.700 53.530 -0.830 1
1 65 . 10 1 1 A 5 5 LEU CB C 5 45.190 46.377 -1.187 1
1 69 . 10 1 1 A 5 5 LEU N N 5 130.600 128.020 2.580 1
1 70 . 10 1 1 A 6 6 ARG H H 6 9.050 8.443 0.607 1
1 71 . 10 1 1 A 6 6 ARG HA H 6 5.500 5.061 0.439 1
1 79 . 10 1 1 A 6 6 ARG CA C 6 54.350 54.589 -0.239 1
1 80 . 10 1 1 A 6 6 ARG CB C 6 33.080 33.694 -0.614 1
1 83 . 10 1 1 A 6 6 ARG N N 6 123.100 124.422 -1.322 1
1 85 . 10 1 1 A 7 7 LEU H H 7 8.290 8.642 -0.352 1
1 86 . 10 1 1 A 7 7 LEU HA H 7 4.870 5.167 -0.297 1
1 96 . 10 1 1 A 7 7 LEU CA C 7 52.270 53.762 -1.492 1
1 97 . 10 1 1 A 7 7 LEU CB C 7 43.800 42.612 1.188 1
1 101 . 10 1 1 A 7 7 LEU N N 7 121.300 123.841 -2.541 1
1 102 . 10 1 1 A 8 8 ASN H H 8 9.220 9.263 -0.043 1
1 103 . 10 1 1 A 8 8 ASN HA H 8 4.580 4.293 0.287 1
1 108 . 10 1 1 A 8 8 ASN CA C 8 54.180 56.026 -1.846 1
1 109 . 10 1 1 A 8 8 ASN CB C 8 36.400 36.445 -0.045 1
1 110 . 10 1 1 A 8 8 ASN N N 8 121.700 121.357 0.343 1
1 112 . 10 1 1 A 9 9 ASN HA H 9 4.180 4.989 -0.809 1
1 117 . 10 1 1 A 9 9 ASN CA C 9 54.800 53.886 0.914 1
1 118 . 10 1 1 A 9 9 ASN CB C 9 38.200 41.755 -3.555 1
1 120 . 10 1 1 A 10 10 VAL H H 10 8.220 7.276 0.944 1
1 121 . 10 1 1 A 10 10 VAL HA H 10 4.090 4.226 -0.136 1
1 129 . 10 1 1 A 10 10 VAL CA C 10 62.820 61.513 1.307 1
1 130 . 10 1 1 A 10 10 VAL CB C 10 32.450 32.719 -0.269 1
1 133 . 10 1 1 A 10 10 VAL N N 10 124.500 115.502 8.998 1
1 134 . 10 1 1 A 11 11 THR H H 11 8.496 8.672 -0.176 1
1 135 . 10 1 1 A 11 11 THR HA H 11 4.670 4.504 0.166 1
1 140 . 10 1 1 A 11 11 THR CA C 11 63.830 63.128 0.702 1
1 141 . 10 1 1 A 11 11 THR CB C 11 68.980 69.562 -0.582 1
1 143 . 10 1 1 A 11 11 THR N N 11 123.600 120.592 3.008 1
1 144 . 10 1 1 A 12 12 LEU H H 12 9.700 8.897 0.803 1
1 145 . 10 1 1 A 12 12 LEU HA H 12 4.670 5.115 -0.445 1
1 155 . 10 1 1 A 12 12 LEU CA C 12 53.480 53.356 0.124 1
1 156 . 10 1 1 A 12 12 LEU CB C 12 46.060 45.806 0.254 1
1 160 . 10 1 1 A 12 12 LEU N N 12 129.900 128.443 1.457 1
1 161 . 10 1 1 A 13 13 GLU H H 13 8.500 8.629 -0.129 1
1 162 . 10 1 1 A 13 13 GLU HA H 13 4.850 5.096 -0.246 1
1 167 . 10 1 1 A 13 13 GLU CA C 13 54.500 55.135 -0.635 1
1 168 . 10 1 1 A 13 13 GLU CB C 13 31.600 31.992 -0.392 1
1 170 . 10 1 1 A 13 13 GLU N N 13 121.100 125.894 -4.794 1
1 171 . 10 1 1 A 14 14 MET H H 14 9.340 8.722 0.618 1
1 172 . 10 1 1 A 14 14 MET HA H 14 4.750 4.923 -0.173 1
1 180 . 10 1 1 A 14 14 MET CA C 14 55.380 53.910 1.470 1
1 181 . 10 1 1 A 14 14 MET CB C 14 33.823 35.601 -1.778 1
1 184 . 10 1 1 A 14 14 MET N N 14 124.300 118.390 5.910 1
1 185 . 10 1 1 A 15 15 ALA H H 15 9.040 8.350 0.690 1
1 186 . 10 1 1 A 15 15 ALA HA H 15 4.490 4.482 0.008 1
1 190 . 10 1 1 A 15 15 ALA CA C 15 52.570 53.748 -1.178 1
1 191 . 10 1 1 A 15 15 ALA CB C 15 19.870 21.049 -1.179 1
1 192 . 10 1 1 A 15 15 ALA N N 15 125.900 121.231 4.669 1
1 193 . 10 1 1 A 16 16 ALA H H 16 7.880 7.616 0.264 1
1 194 . 10 1 1 A 16 16 ALA HA H 16 4.526 4.682 -0.156 1
1 198 . 10 1 1 A 16 16 ALA CA C 16 52.580 50.617 1.963 1
1 199 . 10 1 1 A 16 16 ALA CB C 16 21.400 19.176 2.224 1
1 200 . 10 1 1 A 16 16 ALA N N 16 119.400 119.774 -0.374 1
1 201 . 10 1 1 A 17 17 TYR H H 17 8.270 9.210 -0.940 1
1 202 . 10 1 1 A 17 17 TYR HA H 17 5.290 4.955 0.335 1
1 209 . 10 1 1 A 17 17 TYR CA C 17 59.160 57.234 1.926 1
1 210 . 10 1 1 A 17 17 TYR CB C 17 41.700 38.774 2.926 1
1 215 . 10 1 1 A 17 17 TYR N N 17 120.300 126.687 -6.387 1
1 216 . 10 1 1 A 18 18 GLN H H 18 8.610 8.803 -0.193 1
1 217 . 10 1 1 A 18 18 GLN HA H 18 4.350 4.686 -0.336 1
1 224 . 10 1 1 A 18 18 GLN CA C 18 54.920 55.450 -0.530 1
1 225 . 10 1 1 A 18 18 GLN CB C 18 32.570 30.103 2.467 1
1 227 . 10 1 1 A 18 18 GLN N N 18 128.000 128.981 -0.981 1
1 229 . 10 1 1 A 19 19 GLU H H 19 8.370 8.987 -0.617 1
1 230 . 10 1 1 A 19 19 GLU HA H 19 5.015 5.226 -0.211 1
1 235 . 10 1 1 A 19 19 GLU CA C 19 54.700 54.677 0.023 1
1 236 . 10 1 1 A 19 19 GLU CB C 19 34.800 33.710 1.090 1
1 238 . 10 1 1 A 19 19 GLU N N 19 122.900 127.719 -4.819 1
1 239 . 10 1 1 A 20 20 GLU H H 20 8.920 8.962 -0.042 1
1 240 . 10 1 1 A 20 20 GLU HA H 20 4.740 5.060 -0.320 1
1 245 . 10 1 1 A 20 20 GLU CA C 20 55.100 54.790 0.310 1
1 246 . 10 1 1 A 20 20 GLU CB C 20 33.800 31.194 2.606 1
1 248 . 10 1 1 A 20 20 GLU N N 20 123.300 126.353 -3.053 1
1 249 . 10 1 1 A 21 21 SER H H 21 9.070 8.780 0.290 1
1 250 . 10 1 1 A 21 21 SER HA H 21 4.430 4.401 0.029 1
1 253 . 10 1 1 A 21 21 SER CA C 21 59.300 60.098 -0.798 1
1 254 . 10 1 1 A 21 21 SER CB C 21 65.000 64.067 0.933 1
1 255 . 10 1 1 A 21 21 SER N N 21 114.800 119.525 -4.725 1
1 256 . 10 1 1 A 22 22 GLU H H 22 7.670 7.431 0.239 1
1 257 . 10 1 1 A 22 22 GLU HA H 22 4.500 4.525 -0.025 1
1 262 . 10 1 1 A 22 22 GLU CA C 22 53.100 54.980 -1.880 1
1 263 . 10 1 1 A 22 22 GLU CB C 22 31.750 30.631 1.119 1
1 265 . 10 1 1 A 22 22 GLU N N 22 119.913 121.106 -1.193 1
1 266 . 10 1 1 A 23 23 PRO HA H 23 4.636 4.286 0.350 1
1 273 . 10 1 1 A 23 23 PRO CA C 23 64.200 65.662 -1.462 1
1 274 . 10 1 1 A 23 23 PRO CB C 23 34.200 31.486 2.714 1
1 277 . 10 1 1 A 24 24 LYS H H 24 7.370 8.803 -1.433 1
1 278 . 10 1 1 A 24 24 LYS HA H 24 4.480 4.606 -0.126 1
1 287 . 10 1 1 A 24 24 LYS CA C 24 54.200 55.753 -1.553 1
1 288 . 10 1 1 A 24 24 LYS CB C 24 36.400 35.021 1.379 1
1 292 . 10 1 1 A 24 24 LYS N N 24 119.400 115.977 3.423 1
1 293 . 10 1 1 A 25 25 ARG H H 25 8.730 8.405 0.325 1
1 294 . 10 1 1 A 25 25 ARG HA H 25 4.470 4.546 -0.076 1
1 302 . 10 1 1 A 25 25 ARG CA C 25 57.000 56.083 0.917 1
1 303 . 10 1 1 A 25 25 ARG CB C 25 28.900 30.672 -1.772 1
1 306 . 10 1 1 A 25 25 ARG N N 25 121.900 126.292 -4.392 1
1 308 . 10 1 1 A 26 26 LYS H H 26 8.220 8.898 -0.678 1
1 309 . 10 1 1 A 26 26 LYS HA H 26 5.270 5.093 0.177 1
1 318 . 10 1 1 A 26 26 LYS CA C 26 55.000 54.711 0.289 1
1 319 . 10 1 1 A 26 26 LYS CB C 26 36.900 36.058 0.842 1
1 323 . 10 1 1 A 26 26 LYS N N 26 124.500 125.430 -0.930 1
1 324 . 10 1 1 A 27 27 ILE H H 27 9.100 9.240 -0.140 1
1 325 . 10 1 1 A 27 27 ILE HA H 27 5.320 5.054 0.266 1
1 335 . 10 1 1 A 27 27 ILE CA C 27 59.000 59.246 -0.246 1
1 336 . 10 1 1 A 27 27 ILE CB C 27 42.480 40.676 1.804 1
1 340 . 10 1 1 A 27 27 ILE N N 27 116.400 121.905 -5.505 1
1 341 . 10 1 1 A 28 28 ALA H H 28 8.730 8.927 -0.197 1
1 342 . 10 1 1 A 28 28 ALA HA H 28 5.460 5.334 0.126 1
1 346 . 10 1 1 A 28 28 ALA CA C 28 50.600 50.906 -0.306 1
1 347 . 10 1 1 A 28 28 ALA CB C 28 21.960 21.345 0.615 1
1 348 . 10 1 1 A 28 28 ALA N N 28 124.900 127.002 -2.102 1
1 349 . 10 1 1 A 29 29 PHE H H 29 8.750 8.281 0.469 1
1 350 . 10 1 1 A 29 29 PHE HA H 29 5.420 5.956 -0.536 1
1 355 . 10 1 1 A 29 29 PHE CA C 29 55.680 55.531 0.149 1
1 356 . 10 1 1 A 29 29 PHE CB C 29 43.100 42.242 0.858 1
1 359 . 10 1 1 A 29 29 PHE N N 29 118.800 120.242 -1.442 1
1 360 . 10 1 1 A 30 30 THR H H 30 7.980 9.383 -1.403 1
1 361 . 10 1 1 A 30 30 THR HA H 30 5.690 5.036 0.654 1
1 366 . 10 1 1 A 30 30 THR CA C 30 59.900 62.873 -2.973 1
1 367 . 10 1 1 A 30 30 THR CB C 30 71.130 69.165 1.965 1
1 369 . 10 1 1 A 30 30 THR N N 30 114.100 117.938 -3.838 1
1 370 . 10 1 1 A 31 31 LEU H H 31 9.360 9.280 0.080 1
1 371 . 10 1 1 A 31 31 LEU HA H 31 5.020 5.222 -0.202 1
1 381 . 10 1 1 A 31 31 LEU CA C 31 52.990 53.798 -0.808 1
1 382 . 10 1 1 A 31 31 LEU CB C 31 45.400 44.710 0.690 1
1 386 . 10 1 1 A 31 31 LEU N N 31 125.300 129.729 -4.429 1
1 387 . 10 1 1 A 32 32 ASN H H 32 9.160 9.037 0.123 1
1 388 . 10 1 1 A 32 32 ASN HA H 32 5.210 6.234 -1.024 1
1 393 . 10 1 1 A 32 32 ASN CA C 32 52.660 52.143 0.517 1
1 394 . 10 1 1 A 32 32 ASN CB C 32 38.600 38.970 -0.370 1
1 395 . 10 1 1 A 32 32 ASN N N 32 123.600 125.588 -1.988 1
1 397 . 10 1 1 A 33 33 VAL H H 33 8.880 8.805 0.075 1
1 398 . 10 1 1 A 33 33 VAL HA H 33 4.080 4.278 -0.198 1
1 406 . 10 1 1 A 33 33 VAL CA C 33 61.940 62.715 -0.775 1
1 407 . 10 1 1 A 33 33 VAL CB C 33 34.600 32.043 2.557 1
1 410 . 10 1 1 A 33 33 VAL N N 33 124.500 125.279 -0.779 1
1 411 . 10 1 1 A 34 34 THR H H 34 7.650 8.818 -1.168 1
1 412 . 10 1 1 A 34 34 THR HA H 34 5.130 4.808 0.322 1
1 417 . 10 1 1 A 34 34 THR CA C 34 59.200 60.587 -1.387 1
1 418 . 10 1 1 A 34 34 THR CB C 34 72.830 71.371 1.459 1
1 420 . 10 1 1 A 34 34 THR N N 34 114.300 118.978 -4.678 1
1 421 . 10 1 1 A 35 35 SER H H 35 9.330 9.050 0.280 1
1 422 . 10 1 1 A 35 35 SER HA H 35 4.020 3.984 0.036 1
1 425 . 10 1 1 A 35 35 SER CA C 35 62.000 62.277 -0.277 1
1 426 . 10 1 1 A 35 35 SER CB C 35 62.400 62.833 -0.433 1
1 427 . 10 1 1 A 35 35 SER N N 35 116.200 118.888 -2.688 1
1 428 . 10 1 1 A 36 36 GLU H H 36 8.360 8.019 0.341 1
1 429 . 10 1 1 A 36 36 GLU HA H 36 4.330 4.092 0.238 1
1 434 . 10 1 1 A 36 36 GLU CA C 36 58.900 59.179 -0.279 1
1 435 . 10 1 1 A 36 36 GLU CB C 36 30.200 29.662 0.538 1
1 437 . 10 1 1 A 36 36 GLU N N 36 119.200 122.112 -2.912 1
1 438 . 10 1 1 A 37 37 THR H H 37 7.580 8.141 -0.561 1
1 439 . 10 1 1 A 37 37 THR HA H 37 4.650 4.285 0.365 1
1 444 . 10 1 1 A 37 37 THR CA C 37 61.620 64.347 -2.727 1
1 445 . 10 1 1 A 37 37 THR CB C 37 70.630 68.893 1.737 1
1 447 . 10 1 1 A 37 37 THR N N 37 108.800 114.464 -5.664 1
1 448 . 10 1 1 A 38 38 TYR H H 38 7.990 7.917 0.073 1
1 449 . 10 1 1 A 38 38 TYR HA H 38 3.890 4.048 -0.158 1
1 456 . 10 1 1 A 38 38 TYR CA C 38 61.980 61.775 0.205 1
1 457 . 10 1 1 A 38 38 TYR CB C 38 38.600 38.760 -0.160 1
1 462 . 10 1 1 A 38 38 TYR N N 38 121.700 123.885 -2.185 1
1 463 . 10 1 1 A 39 39 HIS H H 39 8.770 7.903 0.867 1
1 464 . 10 1 1 A 39 39 HIS HA H 39 3.950 4.245 -0.295 1
1 468 . 10 1 1 A 39 39 HIS CA C 39 60.450 59.942 0.508 1
1 469 . 10 1 1 A 39 39 HIS CB C 39 28.350 29.402 -1.052 1
1 471 . 10 1 1 A 39 39 HIS N N 39 116.400 117.677 -1.277 1
1 472 . 10 1 1 A 40 40 ASP H H 40 8.180 8.290 -0.110 1
1 473 . 10 1 1 A 40 40 ASP HA H 40 4.280 4.209 0.071 1
1 476 . 10 1 1 A 40 40 ASP CA C 40 57.230 57.069 0.161 1
1 477 . 10 1 1 A 40 40 ASP CB C 40 39.980 40.913 -0.933 1
1 478 . 10 1 1 A 40 40 ASP N N 40 117.200 119.429 -2.229 1
1 479 . 10 1 1 A 41 41 ILE H H 41 7.700 7.894 -0.194 1
1 480 . 10 1 1 A 41 41 ILE HA H 41 3.740 3.747 -0.007 1
1 490 . 10 1 1 A 41 41 ILE CA C 41 63.400 64.733 -1.333 1
1 491 . 10 1 1 A 41 41 ILE CB C 41 37.000 36.895 0.105 1
1 495 . 10 1 1 A 41 41 ILE N N 41 120.600 119.123 1.477 1
1 496 . 10 1 1 A 42 42 ALA H H 42 8.630 7.515 1.115 1
1 497 . 10 1 1 A 42 42 ALA HA H 42 3.790 4.566 -0.776 1
1 501 . 10 1 1 A 42 42 ALA CA C 42 55.780 53.792 1.988 1
1 502 . 10 1 1 A 42 42 ALA CB C 42 17.400 18.078 -0.678 1
1 503 . 10 1 1 A 42 42 ALA N N 42 122.900 123.563 -0.663 1
1 504 . 10 1 1 A 43 43 VAL H H 43 7.650 7.381 0.269 1
1 505 . 10 1 1 A 43 43 VAL HA H 43 3.390 4.054 -0.664 1
1 513 . 10 1 1 A 43 43 VAL CA C 43 65.700 64.506 1.194 1
1 514 . 10 1 1 A 43 43 VAL CB C 43 31.740 32.679 -0.939 1
1 517 . 10 1 1 A 43 43 VAL N N 43 114.600 115.081 -0.481 1
1 518 . 10 1 1 A 44 44 LEU H H 44 7.250 7.069 0.181 1
1 519 . 10 1 1 A 44 44 LEU HA H 44 4.300 4.173 0.127 1
1 529 . 10 1 1 A 44 44 LEU CA C 44 57.900 55.699 2.201 1
1 530 . 10 1 1 A 44 44 LEU CB C 44 42.250 42.703 -0.453 1
1 534 . 10 1 1 A 44 44 LEU N N 44 122.800 123.671 -0.871 1
1 535 . 10 1 1 A 45 45 LEU H H 45 8.060 8.032 0.028 1
1 536 . 10 1 1 A 45 45 LEU HA H 45 4.430 4.561 -0.131 1
1 546 . 10 1 1 A 45 45 LEU CA C 45 55.200 52.966 2.234 1
1 547 . 10 1 1 A 45 45 LEU CB C 45 41.600 44.659 -3.059 1
1 551 . 10 1 1 A 46 46 TYR H H 46 8.040 8.804 -0.764 1
1 552 . 10 1 1 A 46 46 TYR HA H 46 5.380 4.328 1.052 1
1 559 . 10 1 1 A 46 46 TYR CA C 46 56.900 61.353 -4.453 1
1 560 . 10 1 1 A 46 46 TYR CB C 46 40.500 38.277 2.223 1
1 565 . 10 1 1 A 46 46 TYR N N 46 122.700 121.580 1.120 1
1 566 . 10 1 1 A 47 47 GLU HA H 47 4.000 4.116 -0.116 1
1 571 . 10 1 1 A 47 47 GLU CA C 47 57.700 58.902 -1.202 1
1 572 . 10 1 1 A 47 47 GLU CB C 47 29.800 28.254 1.546 1
1 574 . 10 1 1 A 48 48 LYS HA H 48 4.660 4.653 0.007 1
1 583 . 10 1 1 A 48 48 LYS CA C 48 57.450 57.271 0.179 1
1 584 . 10 1 1 A 48 48 LYS CB C 48 36.800 34.154 2.646 1
1 588 . 10 1 1 A 49 49 THR H H 49 7.540 7.750 -0.210 1
1 589 . 10 1 1 A 49 49 THR HA H 49 4.830 4.729 0.101 1
1 594 . 10 1 1 A 49 49 THR CA C 49 60.360 59.367 0.993 1
1 595 . 10 1 1 A 49 49 THR CB C 49 70.850 72.359 -1.509 1
1 597 . 10 1 1 A 49 49 THR N N 49 115.800 110.728 5.072 1
1 598 . 10 1 1 A 50 50 PHE H H 50 9.030 8.835 0.195 1
1 599 . 10 1 1 A 50 50 PHE HA H 50 5.150 5.141 0.009 1
1 606 . 10 1 1 A 50 50 PHE CA C 50 55.680 56.045 -0.365 1
1 607 . 10 1 1 A 50 50 PHE CB C 50 44.220 42.558 1.662 1
1 612 . 10 1 1 A 50 50 PHE N N 50 118.300 122.458 -4.158 1
1 613 . 10 1 1 A 51 51 ASN H H 51 8.810 9.352 -0.542 1
1 614 . 10 1 1 A 51 51 ASN HA H 51 4.920 4.843 0.077 1
1 619 . 10 1 1 A 51 51 ASN CA C 51 53.960 52.515 1.445 1
1 620 . 10 1 1 A 51 51 ASN CB C 51 37.900 38.436 -0.536 1
1 621 . 10 1 1 A 51 51 ASN N N 51 121.100 122.732 -1.632 1
1 623 . 10 1 1 A 52 52 VAL H H 52 9.140 9.070 0.070 1
1 624 . 10 1 1 A 52 52 VAL HA H 52 4.370 4.431 -0.061 1
1 632 . 10 1 1 A 52 52 VAL CA C 52 61.660 62.467 -0.807 1
1 633 . 10 1 1 A 52 52 VAL CB C 52 32.590 30.951 1.639 1
1 636 . 10 1 1 A 52 52 VAL N N 52 129.300 127.153 2.147 1
1 637 . 10 1 1 A 53 53 GLU H H 53 9.020 8.555 0.465 1
1 638 . 10 1 1 A 53 53 GLU HA H 53 5.090 5.502 -0.412 1
1 643 . 10 1 1 A 53 53 GLU CA C 53 55.500 54.897 0.603 1
1 644 . 10 1 1 A 53 53 GLU CB C 53 31.940 32.802 -0.862 1
1 646 . 10 1 1 A 53 53 GLU N N 53 125.400 129.485 -4.085 1
1 647 . 10 1 1 A 54 54 VAL H H 54 8.840 9.022 -0.182 1
1 648 . 10 1 1 A 54 54 VAL HA H 54 4.680 4.652 0.028 1
1 656 . 10 1 1 A 54 54 VAL CA C 54 58.900 58.254 0.646 1
1 657 . 10 1 1 A 54 54 VAL CB C 54 31.900 34.863 -2.963 1
1 660 . 10 1 1 A 54 54 VAL N N 54 123.100 126.598 -3.498 1
1 661 . 10 1 1 A 55 55 PRO HA H 55 4.480 4.360 0.120 1
1 668 . 10 1 1 A 55 55 PRO CA C 55 65.720 64.891 0.829 1
1 669 . 10 1 1 A 55 55 PRO CB C 55 32.040 32.074 -0.034 1
1 672 . 10 1 1 A 56 56 GLU H H 56 10.050 9.011 1.039 1
1 673 . 10 1 1 A 56 56 GLU HA H 56 4.145 4.057 0.088 1
1 678 . 10 1 1 A 56 56 GLU CA C 56 58.580 59.334 -0.754 1
1 679 . 10 1 1 A 56 56 GLU CB C 56 30.000 28.744 1.256 1
1 681 . 10 1 1 A 56 56 GLU N N 56 118.000 116.444 1.556 1
1 682 . 10 1 1 A 57 57 ARG H H 57 7.550 7.697 -0.147 1
1 683 . 10 1 1 A 57 57 ARG HA H 57 4.480 4.384 0.096 1
1 691 . 10 1 1 A 57 57 ARG CA C 57 52.560 55.884 -3.324 1
1 692 . 10 1 1 A 57 57 ARG CB C 57 29.990 30.496 -0.506 1
1 695 . 10 1 1 A 57 57 ARG N N 57 116.400 117.752 -1.352 1
1 697 . 10 1 1 A 58 58 ASP H H 58 7.920 8.168 -0.248 1
1 698 . 10 1 1 A 58 58 ASP HA H 58 4.250 4.284 -0.034 1
1 701 . 10 1 1 A 58 58 ASP CA C 58 55.420 54.891 0.529 1
1 702 . 10 1 1 A 58 58 ASP CB C 58 39.860 39.407 0.453 1
1 703 . 10 1 1 A 58 58 ASP N N 58 118.400 119.497 -1.097 1
1 704 . 10 1 1 A 59 59 LEU H H 59 6.930 7.940 -1.010 1
1 705 . 10 1 1 A 59 59 LEU HA H 59 4.770 4.978 -0.208 1
1 715 . 10 1 1 A 59 59 LEU CA C 59 53.830 54.334 -0.504 1
1 716 . 10 1 1 A 59 59 LEU CB C 59 45.800 45.589 0.211 1
1 720 . 10 1 1 A 59 59 LEU N N 59 116.500 121.372 -4.872 1
1 721 . 10 1 1 A 60 60 ALA H H 60 8.690 8.906 -0.216 1
1 722 . 10 1 1 A 60 60 ALA HA H 60 5.353 5.033 0.320 1
1 726 . 10 1 1 A 60 60 ALA CA C 60 52.020 50.693 1.327 1
1 727 . 10 1 1 A 60 60 ALA CB C 60 21.060 19.818 1.242 1
1 728 . 10 1 1 A 60 60 ALA N N 60 130.000 128.906 1.094 1
1 729 . 10 1 1 A 61 61 PHE H H 61 8.470 9.179 -0.709 1
1 730 . 10 1 1 A 61 61 PHE HA H 61 4.933 5.321 -0.388 1
1 737 . 10 1 1 A 61 61 PHE CA C 61 56.500 56.423 0.077 1
1 738 . 10 1 1 A 61 61 PHE CB C 61 39.720 43.072 -3.352 1
1 743 . 10 1 1 A 61 61 PHE N N 61 117.500 125.226 -7.726 1
1 744 . 10 1 1 A 62 62 ARG H H 62 9.270 8.204 1.066 1
1 745 . 10 1 1 A 62 62 ARG HA H 62 5.290 5.105 0.185 1
1 753 . 10 1 1 A 62 62 ARG CA C 62 54.950 54.461 0.489 1
1 754 . 10 1 1 A 62 62 ARG CB C 62 30.800 32.964 -2.164 1
1 757 . 10 1 1 A 62 62 ARG N N 62 122.500 126.432 -3.932 1
1 759 . 10 1 1 A 63 63 GLY H H 63 9.370 8.903 0.467 1
1 760 . 10 1 1 A 63 63 GLY HA2 H 63 5.440 4.120 1.320 1
1 761 . 10 1 1 A 63 63 GLY HA3 H 63 3.460 4.387 -0.927 1
1 762 . 10 1 1 A 63 63 GLY CA C 63 45.000 44.361 0.639 1
1 763 . 10 1 1 A 63 63 GLY N N 63 112.700 112.961 -0.261 1
1 764 . 10 1 1 A 64 64 GLU H H 64 9.090 8.624 0.466 1
1 765 . 10 1 1 A 64 64 GLU HA H 64 5.410 4.940 0.470 1
1 770 . 10 1 1 A 64 64 GLU CA C 64 53.160 55.499 -2.339 1
1 771 . 10 1 1 A 64 64 GLU CB C 64 33.500 31.217 2.283 1
1 773 . 10 1 1 A 64 64 GLU N N 64 118.400 120.769 -2.369 1
1 774 . 10 1 1 A 65 65 MET H H 65 9.320 8.673 0.647 1
1 775 . 10 1 1 A 65 65 MET HA H 65 5.070 4.438 0.632 1
1 783 . 10 1 1 A 65 65 MET CA C 65 56.700 55.383 1.317 1
1 784 . 10 1 1 A 65 65 MET CB C 65 34.500 31.775 2.725 1
1 787 . 10 1 1 A 65 65 MET N N 65 124.900 122.613 2.287 1
1 788 . 10 1 1 A 66 66 THR H H 66 8.970 8.742 0.228 1
1 789 . 10 1 1 A 66 66 THR HA H 66 4.480 4.348 0.132 1
1 794 . 10 1 1 A 66 66 THR CA C 66 61.970 62.290 -0.320 1
1 795 . 10 1 1 A 66 66 THR CB C 66 69.160 69.264 -0.104 1
1 797 . 10 1 1 A 66 66 THR N N 66 120.300 115.472 4.828 1
1 798 . 10 1 1 A 67 67 ASN H H 67 7.850 7.485 0.365 1
1 799 . 10 1 1 A 67 67 ASN HA H 67 4.850 5.199 -0.349 1
1 804 . 10 1 1 A 67 67 ASN CA C 67 54.240 51.872 2.368 1
1 805 . 10 1 1 A 67 67 ASN CB C 67 41.900 41.295 0.605 1
1 806 . 10 1 1 A 67 67 ASN N N 67 119.200 118.916 0.284 1
1 808 . 10 1 1 A 68 68 TYR H H 68 8.720 8.871 -0.151 1
1 809 . 10 1 1 A 68 68 TYR HA H 68 4.611 4.614 -0.003 1
1 812 . 10 1 1 A 68 68 TYR CA C 68 54.600 56.464 -1.864 1
1 813 . 10 1 1 A 68 68 TYR CB C 68 41.180 40.025 1.155 1
1 814 . 10 1 1 A 68 68 TYR N N 68 123.200 122.339 0.861 1
1 815 . 10 1 1 A 69 69 SER H H 69 8.160 8.697 -0.537 1
1 816 . 10 1 1 A 69 69 SER HA H 69 4.450 5.062 -0.612 1
1 819 . 10 1 1 A 69 69 SER CA C 69 58.913 56.849 2.064 1
1 820 . 10 1 1 A 69 69 SER CB C 69 65.000 64.402 0.598 1
1 821 . 10 1 1 A 69 69 SER N N 69 115.000 118.475 -3.475 1
1 822 . 10 1 1 A 70 70 THR H H 70 8.250 8.536 -0.286 1
1 823 . 10 1 1 A 70 70 THR HA H 70 4.200 4.979 -0.779 1
1 828 . 10 1 1 A 70 70 THR CA C 70 62.200 60.545 1.655 1
1 829 . 10 1 1 A 70 70 THR CB C 70 70.060 68.740 1.320 1
1 831 . 10 1 1 A 70 70 THR N N 70 111.000 110.995 0.005 1
1 832 . 10 1 1 A 71 71 SER HA H 71 4.610 5.281 -0.671 1
1 835 . 10 1 1 A 71 71 SER CA C 71 58.100 57.756 0.344 1
1 836 . 10 1 1 A 71 71 SER CB C 71 63.600 65.119 -1.519 1
1 837 . 10 1 1 A 72 72 LEU H H 72 8.290 9.097 -0.807 1
1 838 . 10 1 1 A 72 72 LEU HA H 72 4.300 4.273 0.027 1
1 847 . 10 1 1 A 72 72 LEU CA C 72 56.500 54.130 2.370 1
1 848 . 10 1 1 A 72 72 LEU CB C 72 40.600 39.525 1.075 1
1 852 . 10 1 1 A 72 72 LEU N N 72 122.300 127.537 -5.237 1
1 853 . 10 1 1 A 73 73 THR H H 73 8.000 7.298 0.702 1
1 854 . 10 1 1 A 73 73 THR HA H 73 5.110 5.188 -0.078 1
1 859 . 10 1 1 A 73 73 THR CA C 73 59.300 60.883 -1.583 1
1 860 . 10 1 1 A 73 73 THR CB C 73 71.950 70.073 1.877 1
1 862 . 10 1 1 A 74 74 ASN H H 74 8.370 8.603 -0.233 1
1 863 . 10 1 1 A 74 74 ASN HA H 74 4.660 4.863 -0.203 1
1 868 . 10 1 1 A 74 74 ASN CA C 74 52.780 52.046 0.734 1
1 869 . 10 1 1 A 74 74 ASN CB C 74 38.360 41.116 -2.756 1
1 870 . 10 1 1 A 74 74 ASN N N 74 121.500 121.650 -0.150 1
1 872 . 10 1 1 A 75 75 LEU H H 75 8.020 8.654 -0.634 1
1 873 . 10 1 1 A 75 75 LEU HA H 75 3.970 4.019 -0.049 1
1 883 . 10 1 1 A 75 75 LEU CA C 75 55.500 56.534 -1.034 1
1 884 . 10 1 1 A 75 75 LEU CB C 75 41.800 40.981 0.819 1
1 888 . 10 1 1 A 75 75 LEU N N 75 123.200 118.370 4.830 1
1 889 . 10 1 1 A 76 76 TYR H H 76 7.930 8.227 -0.297 1
1 890 . 10 1 1 A 76 76 TYR HA H 76 4.450 4.807 -0.357 1
1 897 . 10 1 1 A 76 76 TYR CA C 76 58.000 57.636 0.364 1
1 898 . 10 1 1 A 76 76 TYR CB C 76 37.700 39.433 -1.733 1
1 903 . 10 1 1 A 76 76 TYR N N 76 116.100 117.686 -1.586 1
1 904 . 10 1 1 A 77 77 GLU H H 77 7.410 7.558 -0.148 1
1 905 . 10 1 1 A 77 77 GLU HA H 77 4.650 4.940 -0.290 1
1 910 . 10 1 1 A 77 77 GLU CA C 77 53.700 52.855 0.845 1
1 911 . 10 1 1 A 77 77 GLU CB C 77 30.200 32.448 -2.248 1
1 913 . 10 1 1 A 77 77 GLU N N 77 122.300 120.308 1.992 1
1 914 . 10 1 1 A 78 78 PRO HA H 78 4.340 4.651 -0.311 1
1 921 . 10 1 1 A 78 78 PRO CA C 78 64.000 63.792 0.208 1
1 922 . 10 1 1 A 78 78 PRO CB C 78 31.740 32.939 -1.199 1
1 925 . 10 1 1 A 79 79 GLY H H 79 8.980 7.978 1.002 1
1 926 . 10 1 1 A 79 79 GLY HA2 H 79 3.822 4.080 -0.258 1
1 927 . 10 1 1 A 79 79 GLY HA3 H 79 4.090 4.087 0.003 1
1 928 . 10 1 1 A 79 79 GLY CA C 79 45.570 44.317 1.253 1
1 929 . 10 1 1 A 79 79 GLY N N 79 112.300 109.403 2.897 1
1 930 . 10 1 1 A 80 80 ALA H H 80 7.670 8.660 -0.990 1
1 931 . 10 1 1 A 80 80 ALA HA H 80 4.300 4.966 -0.666 1
1 935 . 10 1 1 A 80 80 ALA CA C 80 52.880 51.636 1.244 1
1 936 . 10 1 1 A 80 80 ALA CB C 80 20.670 20.050 0.620 1
1 937 . 10 1 1 A 80 80 ALA N N 80 123.200 122.700 0.500 1
1 938 . 10 1 1 A 81 81 VAL H H 81 8.280 8.402 -0.122 1
1 939 . 10 1 1 A 81 81 VAL HA H 81 4.410 4.390 0.020 1
1 947 . 10 1 1 A 81 81 VAL CA C 81 61.540 63.157 -1.617 1
1 948 . 10 1 1 A 81 81 VAL CB C 81 34.000 33.315 0.685 1
1 951 . 10 1 1 A 82 82 SER H H 82 8.970 9.205 -0.235 1
1 952 . 10 1 1 A 82 82 SER HA H 82 4.685 4.644 0.041 1
1 955 . 10 1 1 A 82 82 SER CA C 82 57.180 58.624 -1.444 1
1 956 . 10 1 1 A 82 82 SER CB C 82 65.200 63.707 1.493 1
1 957 . 10 1 1 A 82 82 SER N N 82 122.000 115.840 6.160 1
1 958 . 10 1 1 A 83 83 GLU H H 83 8.360 8.509 -0.149 1
1 959 . 10 1 1 A 83 83 GLU HA H 83 4.500 4.613 -0.113 1
1 964 . 10 1 1 A 83 83 GLU CA C 83 53.020 56.545 -3.525 1
1 965 . 10 1 1 A 83 83 GLU CB C 83 31.800 30.183 1.617 1
1 967 . 10 1 1 A 83 83 GLU N N 83 122.800 125.739 -2.939 1
1 968 . 10 1 1 A 84 84 PHE H H 84 9.160 9.285 -0.125 1
1 969 . 10 1 1 A 84 84 PHE HA H 84 4.920 5.368 -0.448 1
1 977 . 10 1 1 A 84 84 PHE CA C 84 54.840 56.129 -1.289 1
1 978 . 10 1 1 A 84 84 PHE CB C 84 40.690 43.502 -2.812 1
1 984 . 10 1 1 A 84 84 PHE N N 84 123.800 123.418 0.382 1
1 985 . 10 1 1 A 85 85 TYR H H 85 8.810 9.062 -0.252 1
1 986 . 10 1 1 A 85 85 TYR HA H 85 5.050 5.465 -0.415 1
1 993 . 10 1 1 A 85 85 TYR CA C 85 56.190 55.960 0.230 1
1 994 . 10 1 1 A 85 85 TYR CB C 85 37.800 41.341 -3.541 1
1 999 . 10 1 1 A 85 85 TYR N N 85 123.600 117.345 6.255 1
1 1000 . 10 1 1 A 86 86 ILE H H 86 8.340 8.331 0.009 1
1 1001 . 10 1 1 A 86 86 ILE HA H 86 4.520 4.456 0.064 1
1 1011 . 10 1 1 A 86 86 ILE CA C 86 59.340 59.886 -0.546 1
1 1012 . 10 1 1 A 86 86 ILE CB C 86 40.300 38.821 1.479 1
1 1016 . 10 1 1 A 86 86 ILE N N 86 126.200 121.659 4.541 1
1 1017 . 10 1 1 A 87 87 GLU H H 87 8.200 8.968 -0.768 1
1 1018 . 10 1 1 A 87 87 GLU HA H 87 5.330 4.982 0.348 1
1 1023 . 10 1 1 A 87 87 GLU CA C 87 54.500 55.082 -0.582 1
1 1024 . 10 1 1 A 87 87 GLU CB C 87 34.100 31.420 2.680 1
1 1026 . 10 1 1 A 87 87 GLU N N 87 124.600 128.231 -3.631 1
1 1027 . 10 1 1 A 88 88 ILE H H 88 9.250 9.333 -0.083 1
1 1028 . 10 1 1 A 88 88 ILE HA H 88 5.080 4.944 0.136 1
1 1038 . 10 1 1 A 88 88 ILE CA C 88 59.900 59.634 0.266 1
1 1039 . 10 1 1 A 88 88 ILE CB C 88 42.100 41.529 0.571 1
1 1043 . 10 1 1 A 88 88 ILE N N 88 124.900 127.534 -2.634 1
1 1044 . 10 1 1 A 89 89 THR H H 89 9.020 8.828 0.192 1
1 1045 . 10 1 1 A 89 89 THR HA H 89 4.960 5.007 -0.047 1
1 1050 . 10 1 1 A 89 89 THR CA C 89 61.600 59.635 1.965 1
1 1051 . 10 1 1 A 89 89 THR CB C 89 70.000 71.381 -1.381 1
1 1053 . 10 1 1 A 89 89 THR N N 89 122.900 118.228 4.672 1
1 1054 . 10 1 1 A 90 90 GLU H H 90 8.910 8.535 0.375 1
1 1055 . 10 1 1 A 90 90 GLU HA H 90 4.730 4.392 0.338 1
1 1060 . 10 1 1 A 90 90 GLU CA C 90 57.300 57.494 -0.194 1
1 1061 . 10 1 1 A 90 90 GLU CB C 90 30.570 30.052 0.518 1
1 1063 . 10 1 1 A 90 90 GLU N N 90 128.600 124.702 3.898 1
1 1064 . 10 1 1 A 91 91 ILE H H 91 8.550 8.989 -0.439 1
1 1065 . 10 1 1 A 91 91 ILE HA H 91 4.230 4.118 0.112 1
1 1075 . 10 1 1 A 91 91 ILE CA C 91 61.400 62.199 -0.799 1
1 1076 . 10 1 1 A 91 91 ILE CB C 91 39.800 38.230 1.570 1
1 1080 . 10 1 1 A 91 91 ILE N N 91 124.600 128.237 -3.637 1
1 1081 . 10 1 1 A 92 92 ASP H H 92 8.550 8.755 -0.205 1
1 1082 . 10 1 1 A 92 92 ASP HA H 92 4.612 4.752 -0.140 1
1 1085 . 10 1 1 A 92 92 ASP CA C 92 54.370 55.445 -1.075 1
1 1086 . 10 1 1 A 92 92 ASP CB C 92 41.570 41.106 0.464 1
1 1087 . 10 1 1 A 92 92 ASP N N 92 124.100 128.201 -4.101 1
1 1088 . 10 1 1 A 93 93 LYS H H 93 8.530 8.615 -0.085 1
1 1089 . 10 1 1 A 93 93 LYS HA H 93 4.240 4.674 -0.434 1
1 1098 . 10 1 1 A 93 93 LYS CA C 93 57.100 55.819 1.281 1
1 1099 . 10 1 1 A 93 93 LYS CB C 93 32.900 33.132 -0.232 1
1 1103 . 10 1 1 A 93 93 LYS N N 93 123.200 120.651 2.549 1
1 1104 . 10 1 1 A 94 94 ASN H H 94 8.590 8.155 0.435 1
1 1105 . 10 1 1 A 94 94 ASN HA H 94 4.680 4.351 0.329 1
1 1110 . 10 1 1 A 94 94 ASN CA C 94 53.300 56.820 -3.520 1
1 1111 . 10 1 1 A 94 94 ASN CB C 94 38.700 39.480 -0.780 1
1 1112 . 10 1 1 A 94 94 ASN N N 94 118.800 120.094 -1.294 1
1 1114 . 10 1 1 A 95 95 ALA H H 95 8.110 7.638 0.472 1
1 1115 . 10 1 1 A 95 95 ALA HA H 95 4.270 4.408 -0.138 1
1 1119 . 10 1 1 A 95 95 ALA CA C 95 53.160 51.347 1.813 1
1 1120 . 10 1 1 A 95 95 ALA CB C 95 19.100 18.367 0.733 1
1 1121 . 10 1 1 A 95 95 ALA N N 95 123.990 118.310 5.680 1
1 1122 . 10 1 1 A 96 96 ASP H H 96 8.290 8.336 -0.046 1
1 1123 . 10 1 1 A 96 96 ASP HA H 96 4.610 4.592 0.018 1
1 1126 . 10 1 1 A 96 96 ASP CA C 96 54.400 54.905 -0.505 1
1 1127 . 10 1 1 A 96 96 ASP CB C 96 41.300 40.334 0.966 1
1 1128 . 10 1 1 A 96 96 ASP N N 96 119.100 118.676 0.424 1
1 1129 . 10 1 1 A 97 97 SER H H 97 8.150 8.510 -0.360 1
1 1130 . 10 1 1 A 97 97 SER HA H 97 4.380 4.653 -0.273 1
1 1133 . 10 1 1 A 97 97 SER CA C 97 58.600 57.872 0.728 1
1 1134 . 10 1 1 A 97 97 SER CB C 97 63.600 64.778 -1.178 1
1 1135 . 10 1 1 A 97 97 SER N N 97 115.800 116.644 -0.844 1
1 1136 . 10 1 1 A 98 98 LEU H H 98 8.240 7.110 1.130 1
1 1137 . 10 1 1 A 98 98 LEU HA H 98 4.260 4.835 -0.575 1
1 1147 . 10 1 1 A 98 98 LEU CA C 98 55.650 53.668 1.982 1
1 1148 . 10 1 1 A 98 98 LEU CB C 98 42.190 44.654 -2.464 1
1 1152 . 10 1 1 A 98 98 LEU N N 98 123.500 123.080 0.420 1
1 1153 . 10 1 1 A 99 99 GLU H H 99 8.190 8.430 -0.240 1
1 1154 . 10 1 1 A 99 99 GLU HA H 99 4.130 4.163 -0.033 1
1 1159 . 10 1 1 A 99 99 GLU CA C 99 56.850 56.361 0.489 1
1 1160 . 10 1 1 A 99 99 GLU CB C 99 29.900 30.177 -0.277 1
1 1162 . 10 1 1 A 99 99 GLU N N 99 119.900 125.484 -5.584 1
1 1163 . 10 1 1 A 100 100 HIS H H 100 8.200 8.451 -0.251 1
1 1164 . 10 1 1 A 100 100 HIS HA H 100 4.560 4.741 -0.181 1
1 1168 . 10 1 1 A 100 100 HIS CA C 100 55.835 54.840 0.995 1
1 1169 . 10 1 1 A 100 100 HIS CB C 100 30.370 27.943 2.427 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 99 1.541 1
3 1 1 1 "RMS(OBS, PRED)" CB 97 2.062 1
4 1 1 1 "RMS(OBS, PRED)" H 92 0.596 1
5 1 1 1 "RMS(OBS, PRED)" HA 101 0.420 1
6 1 1 1 "RMS(OBS, PRED)" N 88 3.553 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 99 1.641 1
9 1 2 1 "RMS(OBS, PRED)" CB 97 1.711 1
10 1 2 1 "RMS(OBS, PRED)" H 92 0.529 1
11 1 2 1 "RMS(OBS, PRED)" HA 101 0.403 1
12 1 2 1 "RMS(OBS, PRED)" N 88 3.759 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 99 1.611 1
15 1 3 1 "RMS(OBS, PRED)" CB 97 1.889 1
16 1 3 1 "RMS(OBS, PRED)" H 92 0.603 1
17 1 3 1 "RMS(OBS, PRED)" HA 101 0.358 1
18 1 3 1 "RMS(OBS, PRED)" N 88 3.702 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 99 1.491 1
21 1 4 1 "RMS(OBS, PRED)" CB 97 1.834 1
22 1 4 1 "RMS(OBS, PRED)" H 92 0.542 1
23 1 4 1 "RMS(OBS, PRED)" HA 101 0.354 1
24 1 4 1 "RMS(OBS, PRED)" N 88 3.776 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 99 1.510 1
27 1 5 1 "RMS(OBS, PRED)" CB 97 1.670 1
28 1 5 1 "RMS(OBS, PRED)" H 92 0.501 1
29 1 5 1 "RMS(OBS, PRED)" HA 101 0.375 1
30 1 5 1 "RMS(OBS, PRED)" N 88 3.741 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 99 1.441 1
33 1 6 1 "RMS(OBS, PRED)" CB 97 1.795 1
34 1 6 1 "RMS(OBS, PRED)" H 92 0.551 1
35 1 6 1 "RMS(OBS, PRED)" HA 101 0.370 1
36 1 6 1 "RMS(OBS, PRED)" N 88 3.245 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 99 1.429 1
39 1 7 1 "RMS(OBS, PRED)" CB 97 1.898 1
40 1 7 1 "RMS(OBS, PRED)" H 92 0.616 1
41 1 7 1 "RMS(OBS, PRED)" HA 101 0.390 1
42 1 7 1 "RMS(OBS, PRED)" N 88 4.003 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 99 1.521 1
45 1 8 1 "RMS(OBS, PRED)" CB 97 1.967 1
46 1 8 1 "RMS(OBS, PRED)" H 92 0.523 1
47 1 8 1 "RMS(OBS, PRED)" HA 101 0.394 1
48 1 8 1 "RMS(OBS, PRED)" N 88 3.704 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 99 1.709 1
51 1 9 1 "RMS(OBS, PRED)" CB 97 1.753 1
52 1 9 1 "RMS(OBS, PRED)" H 92 0.559 1
53 1 9 1 "RMS(OBS, PRED)" HA 101 0.395 1
54 1 9 1 "RMS(OBS, PRED)" N 88 3.480 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 99 1.446 1
57 1 10 1 "RMS(OBS, PRED)" CB 97 1.617 1
58 1 10 1 "RMS(OBS, PRED)" H 92 0.560 1
59 1 10 1 "RMS(OBS, PRED)" HA 101 0.370 1
60 1 10 1 "RMS(OBS, PRED)" N 88 3.563 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 13 . 1 1 A 2 2 VAL H H 2 8.440 8.273 0.167 2
1 14 . 1 1 A 2 2 VAL HA H 2 3.790 4.067 -0.277 2
1 22 . 1 1 A 2 2 VAL CA C 2 62.900 62.382 0.518 2
1 23 . 1 1 A 2 2 VAL CB C 2 32.100 30.831 1.269 2
1 26 . 1 1 A 2 2 VAL N N 2 125.800 119.195 6.605 2
1 27 . 1 1 A 3 3 LYS H H 3 8.980 8.550 0.430 2
1 28 . 1 1 A 3 3 LYS HA H 3 4.650 4.291 0.359 2
1 37 . 1 1 A 3 3 LYS CA C 3 57.100 57.583 -0.483 2
1 38 . 1 1 A 3 3 LYS CB C 3 36.400 34.001 2.399 2
1 42 . 1 1 A 3 3 LYS N N 3 124.600 126.481 -1.881 2
1 43 . 1 1 A 4 4 THR H H 4 7.740 8.192 -0.452 2
1 44 . 1 1 A 4 4 THR HA H 4 4.310 4.367 -0.057 2
1 49 . 1 1 A 4 4 THR CA C 4 64.990 61.852 3.138 2
1 50 . 1 1 A 4 4 THR CB C 4 68.700 67.621 1.079 2
1 52 . 1 1 A 4 4 THR N N 4 117.900 114.611 3.289 2
1 53 . 1 1 A 5 5 LEU H H 5 8.460 8.634 -0.174 2
1 54 . 1 1 A 5 5 LEU HA H 5 4.850 5.108 -0.258 2
1 64 . 1 1 A 5 5 LEU CA C 5 52.700 53.590 -0.890 2
1 65 . 1 1 A 5 5 LEU CB C 5 45.190 45.547 -0.357 2
1 69 . 1 1 A 5 5 LEU N N 5 130.600 128.529 2.071 2
1 70 . 1 1 A 6 6 ARG H H 6 9.050 8.803 0.247 2
1 71 . 1 1 A 6 6 ARG HA H 6 5.500 5.106 0.394 2
1 79 . 1 1 A 6 6 ARG CA C 6 54.350 54.592 -0.242 2
1 80 . 1 1 A 6 6 ARG CB C 6 33.080 33.405 -0.325 2
1 83 . 1 1 A 6 6 ARG N N 6 123.100 125.903 -2.803 2
1 85 . 1 1 A 7 7 LEU H H 7 8.290 8.877 -0.587 2
1 86 . 1 1 A 7 7 LEU HA H 7 4.870 4.944 -0.074 2
1 96 . 1 1 A 7 7 LEU CA C 7 52.270 53.823 -1.553 2
1 97 . 1 1 A 7 7 LEU CB C 7 43.800 42.184 1.616 2
1 101 . 1 1 A 7 7 LEU N N 7 121.300 126.026 -4.726 2
1 102 . 1 1 A 8 8 ASN H H 8 9.220 9.334 -0.114 2
1 103 . 1 1 A 8 8 ASN HA H 8 4.580 4.453 0.127 2
1 108 . 1 1 A 8 8 ASN CA C 8 54.180 54.733 -0.553 2
1 109 . 1 1 A 8 8 ASN CB C 8 36.400 37.305 -0.905 2
1 110 . 1 1 A 8 8 ASN N N 8 121.700 123.249 -1.549 2
1 112 . 1 1 A 9 9 ASN HA H 9 4.180 4.604 -0.423 2
1 117 . 1 1 A 9 9 ASN CA C 9 54.800 54.196 0.604 2
1 118 . 1 1 A 9 9 ASN CB C 9 38.200 38.523 -0.323 2
1 120 . 1 1 A 10 10 VAL H H 10 8.220 7.622 0.598 2
1 121 . 1 1 A 10 10 VAL HA H 10 4.090 4.202 -0.112 2
1 129 . 1 1 A 10 10 VAL CA C 10 62.820 61.698 1.122 2
1 130 . 1 1 A 10 10 VAL CB C 10 32.450 32.393 0.057 2
1 133 . 1 1 A 10 10 VAL N N 10 124.500 119.754 4.746 2
1 134 . 1 1 A 11 11 THR H H 11 8.496 8.706 -0.210 2
1 135 . 1 1 A 11 11 THR HA H 11 4.670 4.465 0.205 2
1 140 . 1 1 A 11 11 THR CA C 11 63.830 62.928 0.902 2
1 141 . 1 1 A 11 11 THR CB C 11 68.980 69.492 -0.512 2
1 143 . 1 1 A 11 11 THR N N 11 123.600 121.979 1.621 2
1 144 . 1 1 A 12 12 LEU H H 12 9.700 8.951 0.748 2
1 145 . 1 1 A 12 12 LEU HA H 12 4.670 5.050 -0.380 2
1 155 . 1 1 A 12 12 LEU CA C 12 53.480 53.551 -0.071 2
1 156 . 1 1 A 12 12 LEU CB C 12 46.060 46.046 0.014 2
1 160 . 1 1 A 12 12 LEU N N 12 129.900 127.990 1.910 2
1 161 . 1 1 A 13 13 GLU H H 13 8.500 8.726 -0.226 2
1 162 . 1 1 A 13 13 GLU HA H 13 4.850 5.006 -0.156 2
1 167 . 1 1 A 13 13 GLU CA C 13 54.500 54.637 -0.137 2
1 168 . 1 1 A 13 13 GLU CB C 13 31.600 32.925 -1.325 2
1 170 . 1 1 A 13 13 GLU N N 13 121.100 125.152 -4.052 2
1 171 . 1 1 A 14 14 MET H H 14 9.340 8.755 0.585 2
1 172 . 1 1 A 14 14 MET HA H 14 4.750 5.129 -0.379 2
1 180 . 1 1 A 14 14 MET CA C 14 55.380 53.849 1.531 2
1 181 . 1 1 A 14 14 MET CB C 14 33.823 36.344 -2.521 2
1 184 . 1 1 A 14 14 MET N N 14 124.300 121.358 2.942 2
1 185 . 1 1 A 15 15 ALA H H 15 9.040 8.547 0.493 2
1 186 . 1 1 A 15 15 ALA HA H 15 4.490 4.463 0.027 2
1 190 . 1 1 A 15 15 ALA CA C 15 52.570 53.758 -1.187 2
1 191 . 1 1 A 15 15 ALA CB C 15 19.870 20.932 -1.062 2
1 192 . 1 1 A 15 15 ALA N N 15 125.900 122.478 3.422 2
1 193 . 1 1 A 16 16 ALA H H 16 7.880 7.790 0.090 2
1 194 . 1 1 A 16 16 ALA HA H 16 4.526 4.614 -0.088 2
1 198 . 1 1 A 16 16 ALA CA C 16 52.580 50.616 1.964 2
1 199 . 1 1 A 16 16 ALA CB C 16 21.400 19.240 2.160 2
1 200 . 1 1 A 16 16 ALA N N 16 119.400 120.017 -0.617 2
1 201 . 1 1 A 17 17 TYR H H 17 8.270 9.197 -0.927 2
1 202 . 1 1 A 17 17 TYR HA H 17 5.290 4.904 0.386 2
1 209 . 1 1 A 17 17 TYR CA C 17 59.160 57.217 1.943 2
1 210 . 1 1 A 17 17 TYR CB C 17 41.700 38.725 2.975 2
1 215 . 1 1 A 17 17 TYR N N 17 120.300 126.774 -6.474 2
1 216 . 1 1 A 18 18 GLN H H 18 8.610 8.683 -0.073 2
1 217 . 1 1 A 18 18 GLN HA H 18 4.350 4.810 -0.460 2
1 224 . 1 1 A 18 18 GLN CA C 18 54.920 54.692 0.228 2
1 225 . 1 1 A 18 18 GLN CB C 18 32.570 30.690 1.880 2
1 227 . 1 1 A 18 18 GLN N N 18 128.000 127.829 0.170 2
1 229 . 1 1 A 19 19 GLU H H 19 8.370 8.929 -0.559 2
1 230 . 1 1 A 19 19 GLU HA H 19 5.015 5.112 -0.097 2
1 235 . 1 1 A 19 19 GLU CA C 19 54.700 54.751 -0.051 2
1 236 . 1 1 A 19 19 GLU CB C 19 34.800 32.856 1.944 2
1 238 . 1 1 A 19 19 GLU N N 19 122.900 125.374 -2.474 2
1 239 . 1 1 A 20 20 GLU H H 20 8.920 9.170 -0.250 2
1 240 . 1 1 A 20 20 GLU HA H 20 4.740 4.742 -0.002 2
1 245 . 1 1 A 20 20 GLU CA C 20 55.100 55.264 -0.164 2
1 246 . 1 1 A 20 20 GLU CB C 20 33.800 30.707 3.093 2
1 248 . 1 1 A 20 20 GLU N N 20 123.300 125.234 -1.934 2
1 249 . 1 1 A 21 21 SER H H 21 9.070 8.804 0.266 2
1 250 . 1 1 A 21 21 SER HA H 21 4.430 4.580 -0.150 2
1 253 . 1 1 A 21 21 SER CA C 21 59.300 59.223 0.077 2
1 254 . 1 1 A 21 21 SER CB C 21 65.000 63.776 1.224 2
1 255 . 1 1 A 21 21 SER N N 21 114.800 121.020 -6.220 2
1 256 . 1 1 A 22 22 GLU H H 22 7.670 7.895 -0.225 2
1 257 . 1 1 A 22 22 GLU HA H 22 4.500 4.476 0.024 2
1 262 . 1 1 A 22 22 GLU CA C 22 53.100 56.922 -3.822 2
1 263 . 1 1 A 22 22 GLU CB C 22 31.750 30.421 1.329 2
1 265 . 1 1 A 22 22 GLU N N 22 119.913 119.883 0.030 2
1 266 . 1 1 A 23 23 PRO HA H 23 4.636 4.369 0.267 2
1 273 . 1 1 A 23 23 PRO CA C 23 64.200 64.703 -0.503 2
1 274 . 1 1 A 23 23 PRO CB C 23 34.200 31.907 2.293 2
1 277 . 1 1 A 24 24 LYS H H 24 7.370 7.954 -0.584 2
1 278 . 1 1 A 24 24 LYS HA H 24 4.480 4.623 -0.143 2
1 287 . 1 1 A 24 24 LYS CA C 24 54.200 55.475 -1.275 2
1 288 . 1 1 A 24 24 LYS CB C 24 36.400 35.689 0.711 2
1 292 . 1 1 A 24 24 LYS N N 24 119.400 116.404 2.996 2
1 293 . 1 1 A 25 25 ARG H H 25 8.730 8.475 0.255 2
1 294 . 1 1 A 25 25 ARG HA H 25 4.470 4.736 -0.266 2
1 302 . 1 1 A 25 25 ARG CA C 25 57.000 55.756 1.244 2
1 303 . 1 1 A 25 25 ARG CB C 25 28.900 29.949 -1.049 2
1 306 . 1 1 A 25 25 ARG N N 25 121.900 123.533 -1.633 2
1 308 . 1 1 A 26 26 LYS H H 26 8.220 8.895 -0.675 2
1 309 . 1 1 A 26 26 LYS HA H 26 5.270 5.064 0.206 2
1 318 . 1 1 A 26 26 LYS CA C 26 55.000 54.763 0.237 2
1 319 . 1 1 A 26 26 LYS CB C 26 36.900 34.574 2.326 2
1 323 . 1 1 A 26 26 LYS N N 26 124.500 125.474 -0.974 2
1 324 . 1 1 A 27 27 ILE H H 27 9.100 9.136 -0.036 2
1 325 . 1 1 A 27 27 ILE HA H 27 5.320 4.732 0.588 2
1 335 . 1 1 A 27 27 ILE CA C 27 59.000 60.045 -1.045 2
1 336 . 1 1 A 27 27 ILE CB C 27 42.480 39.228 3.252 2
1 340 . 1 1 A 27 27 ILE N N 27 116.400 124.926 -8.526 2
1 341 . 1 1 A 28 28 ALA H H 28 8.730 9.034 -0.304 2
1 342 . 1 1 A 28 28 ALA HA H 28 5.460 4.931 0.529 2
1 346 . 1 1 A 28 28 ALA CA C 28 50.600 50.382 0.218 2
1 347 . 1 1 A 28 28 ALA CB C 28 21.960 20.100 1.860 2
1 348 . 1 1 A 28 28 ALA N N 28 124.900 129.762 -4.862 2
1 349 . 1 1 A 29 29 PHE H H 29 8.750 8.084 0.666 2
1 350 . 1 1 A 29 29 PHE HA H 29 5.420 5.675 -0.255 2
1 355 . 1 1 A 29 29 PHE CA C 29 55.680 55.483 0.197 2
1 356 . 1 1 A 29 29 PHE CB C 29 43.100 41.511 1.589 2
1 359 . 1 1 A 29 29 PHE N N 29 118.800 120.667 -1.867 2
1 360 . 1 1 A 30 30 THR H H 30 7.980 9.134 -1.154 2
1 361 . 1 1 A 30 30 THR HA H 30 5.690 5.115 0.575 2
1 366 . 1 1 A 30 30 THR CA C 30 59.900 62.293 -2.393 2
1 367 . 1 1 A 30 30 THR CB C 30 71.130 69.427 1.703 2
1 369 . 1 1 A 30 30 THR N N 30 114.100 117.797 -3.697 2
1 370 . 1 1 A 31 31 LEU H H 31 9.360 9.209 0.151 2
1 371 . 1 1 A 31 31 LEU HA H 31 5.020 5.122 -0.102 2
1 381 . 1 1 A 31 31 LEU CA C 31 52.990 54.043 -1.053 2
1 382 . 1 1 A 31 31 LEU CB C 31 45.400 44.557 0.843 2
1 386 . 1 1 A 31 31 LEU N N 31 125.300 129.424 -4.124 2
1 387 . 1 1 A 32 32 ASN H H 32 9.160 8.841 0.319 2
1 388 . 1 1 A 32 32 ASN HA H 32 5.210 5.333 -0.123 2
1 393 . 1 1 A 32 32 ASN CA C 32 52.660 52.814 -0.154 2
1 394 . 1 1 A 32 32 ASN CB C 32 38.600 38.504 0.097 2
1 395 . 1 1 A 32 32 ASN N N 32 123.600 125.444 -1.844 2
1 397 . 1 1 A 33 33 VAL H H 33 8.880 9.024 -0.144 2
1 398 . 1 1 A 33 33 VAL HA H 33 4.080 4.388 -0.308 2
1 406 . 1 1 A 33 33 VAL CA C 33 61.940 62.440 -0.500 2
1 407 . 1 1 A 33 33 VAL CB C 33 34.600 31.841 2.759 2
1 410 . 1 1 A 33 33 VAL N N 33 124.500 126.238 -1.738 2
1 411 . 1 1 A 34 34 THR H H 34 7.650 8.540 -0.890 2
1 412 . 1 1 A 34 34 THR HA H 34 5.130 4.956 0.174 2
1 417 . 1 1 A 34 34 THR CA C 34 59.200 60.133 -0.933 2
1 418 . 1 1 A 34 34 THR CB C 34 72.830 71.514 1.316 2
1 420 . 1 1 A 34 34 THR N N 34 114.300 118.747 -4.447 2
1 421 . 1 1 A 35 35 SER H H 35 9.330 9.059 0.271 2
1 422 . 1 1 A 35 35 SER HA H 35 4.020 4.225 -0.205 2
1 425 . 1 1 A 35 35 SER CA C 35 62.000 60.825 1.175 2
1 426 . 1 1 A 35 35 SER CB C 35 62.400 63.001 -0.601 2
1 427 . 1 1 A 35 35 SER N N 35 116.200 117.286 -1.086 2
1 428 . 1 1 A 36 36 GLU H H 36 8.360 7.913 0.447 2
1 429 . 1 1 A 36 36 GLU HA H 36 4.330 4.216 0.114 2
1 434 . 1 1 A 36 36 GLU CA C 36 58.900 58.857 0.043 2
1 435 . 1 1 A 36 36 GLU CB C 36 30.200 30.021 0.179 2
1 437 . 1 1 A 36 36 GLU N N 36 119.200 121.259 -2.059 2
1 438 . 1 1 A 37 37 THR H H 37 7.580 7.736 -0.156 2
1 439 . 1 1 A 37 37 THR HA H 37 4.650 4.419 0.231 2
1 444 . 1 1 A 37 37 THR CA C 37 61.620 62.716 -1.096 2
1 445 . 1 1 A 37 37 THR CB C 37 70.630 69.371 1.259 2
1 447 . 1 1 A 37 37 THR N N 37 108.800 113.060 -4.260 2
1 448 . 1 1 A 38 38 TYR H H 38 7.990 8.105 -0.115 2
1 449 . 1 1 A 38 38 TYR HA H 38 3.890 4.160 -0.270 2
1 456 . 1 1 A 38 38 TYR CA C 38 61.980 61.149 0.831 2
1 457 . 1 1 A 38 38 TYR CB C 38 38.600 38.302 0.298 2
1 462 . 1 1 A 38 38 TYR N N 38 121.700 123.153 -1.453 2
1 463 . 1 1 A 39 39 HIS H H 39 8.770 7.879 0.891 2
1 464 . 1 1 A 39 39 HIS HA H 39 3.950 4.021 -0.071 2
1 468 . 1 1 A 39 39 HIS CA C 39 60.450 59.201 1.249 2
1 469 . 1 1 A 39 39 HIS CB C 39 28.350 29.562 -1.212 2
1 471 . 1 1 A 39 39 HIS N N 39 116.400 118.771 -2.371 2
1 472 . 1 1 A 40 40 ASP H H 40 8.180 8.050 0.130 2
1 473 . 1 1 A 40 40 ASP HA H 40 4.280 4.331 -0.051 2
1 476 . 1 1 A 40 40 ASP CA C 40 57.230 56.945 0.285 2
1 477 . 1 1 A 40 40 ASP CB C 40 39.980 40.923 -0.943 2
1 478 . 1 1 A 40 40 ASP N N 40 117.200 118.755 -1.555 2
1 479 . 1 1 A 41 41 ILE H H 41 7.700 7.725 -0.025 2
1 480 . 1 1 A 41 41 ILE HA H 41 3.740 3.748 -0.008 2
1 490 . 1 1 A 41 41 ILE CA C 41 63.400 64.208 -0.808 2
1 491 . 1 1 A 41 41 ILE CB C 41 37.000 37.001 -0.001 2
1 495 . 1 1 A 41 41 ILE N N 41 120.600 119.814 0.786 2
1 496 . 1 1 A 42 42 ALA H H 42 8.630 7.640 0.990 2
1 497 . 1 1 A 42 42 ALA HA H 42 3.790 4.111 -0.321 2
1 501 . 1 1 A 42 42 ALA CA C 42 55.780 54.184 1.595 2
1 502 . 1 1 A 42 42 ALA CB C 42 17.400 18.063 -0.663 2
1 503 . 1 1 A 42 42 ALA N N 42 122.900 123.621 -0.721 2
1 504 . 1 1 A 43 43 VAL H H 43 7.650 7.265 0.385 2
1 505 . 1 1 A 43 43 VAL HA H 43 3.390 3.939 -0.549 2
1 513 . 1 1 A 43 43 VAL CA C 43 65.700 64.789 0.911 2
1 514 . 1 1 A 43 43 VAL CB C 43 31.740 32.558 -0.818 2
1 517 . 1 1 A 43 43 VAL N N 43 114.600 115.879 -1.279 2
1 518 . 1 1 A 44 44 LEU H H 44 7.250 7.225 0.025 2
1 519 . 1 1 A 44 44 LEU HA H 44 4.300 4.314 -0.014 2
1 529 . 1 1 A 44 44 LEU CA C 44 57.900 54.703 3.197 2
1 530 . 1 1 A 44 44 LEU CB C 44 42.250 41.887 0.363 2
1 534 . 1 1 A 44 44 LEU N N 44 122.800 121.658 1.142 2
1 535 . 1 1 A 45 45 LEU H H 45 8.060 8.415 -0.355 2
1 536 . 1 1 A 45 45 LEU HA H 45 4.430 4.799 -0.369 2
1 546 . 1 1 A 45 45 LEU CA C 45 55.200 53.302 1.898 2
1 547 . 1 1 A 45 45 LEU CB C 45 41.600 43.219 -1.619 2
1 551 . 1 1 A 46 46 TYR H H 46 8.040 8.802 -0.762 2
1 552 . 1 1 A 46 46 TYR HA H 46 5.380 4.492 0.888 2
1 559 . 1 1 A 46 46 TYR CA C 46 56.900 59.911 -3.011 2
1 560 . 1 1 A 46 46 TYR CB C 46 40.500 37.310 3.190 2
1 565 . 1 1 A 46 46 TYR N N 46 122.700 122.775 -0.075 2
1 566 . 1 1 A 47 47 GLU HA H 47 4.000 4.370 -0.370 2
1 571 . 1 1 A 47 47 GLU CA C 47 57.700 56.707 0.993 2
1 572 . 1 1 A 47 47 GLU CB C 47 29.800 30.159 -0.359 2
1 574 . 1 1 A 48 48 LYS HA H 48 4.660 4.366 0.294 2
1 583 . 1 1 A 48 48 LYS CA C 48 57.450 57.209 0.241 2
1 584 . 1 1 A 48 48 LYS CB C 48 36.800 33.046 3.754 2
1 588 . 1 1 A 49 49 THR H H 49 7.540 7.853 -0.313 2
1 589 . 1 1 A 49 49 THR HA H 49 4.830 4.768 0.062 2
1 594 . 1 1 A 49 49 THR CA C 49 60.360 60.725 -0.365 2
1 595 . 1 1 A 49 49 THR CB C 49 70.850 70.613 0.237 2
1 597 . 1 1 A 49 49 THR N N 49 115.800 111.287 4.513 2
1 598 . 1 1 A 50 50 PHE H H 50 9.030 9.105 -0.075 2
1 599 . 1 1 A 50 50 PHE HA H 50 5.150 5.125 0.025 2
1 606 . 1 1 A 50 50 PHE CA C 50 55.680 56.197 -0.517 2
1 607 . 1 1 A 50 50 PHE CB C 50 44.220 41.625 2.595 2
1 612 . 1 1 A 50 50 PHE N N 50 118.300 122.850 -4.551 2
1 613 . 1 1 A 51 51 ASN H H 51 8.810 9.011 -0.201 2
1 614 . 1 1 A 51 51 ASN HA H 51 4.920 4.929 -0.009 2
1 619 . 1 1 A 51 51 ASN CA C 51 53.960 52.526 1.434 2
1 620 . 1 1 A 51 51 ASN CB C 51 37.900 38.360 -0.460 2
1 621 . 1 1 A 51 51 ASN N N 51 121.100 122.884 -1.784 2
1 623 . 1 1 A 52 52 VAL H H 52 9.140 8.749 0.391 2
1 624 . 1 1 A 52 52 VAL HA H 52 4.370 4.370 -0.000 2
1 632 . 1 1 A 52 52 VAL CA C 52 61.660 62.527 -0.867 2
1 633 . 1 1 A 52 52 VAL CB C 52 32.590 31.301 1.289 2
1 636 . 1 1 A 52 52 VAL N N 52 129.300 125.913 3.387 2
1 637 . 1 1 A 53 53 GLU H H 53 9.020 9.045 -0.025 2
1 638 . 1 1 A 53 53 GLU HA H 53 5.090 5.414 -0.324 2
1 643 . 1 1 A 53 53 GLU CA C 53 55.500 54.957 0.543 2
1 644 . 1 1 A 53 53 GLU CB C 53 31.940 32.010 -0.070 2
1 646 . 1 1 A 53 53 GLU N N 53 125.400 128.371 -2.971 2
1 647 . 1 1 A 54 54 VAL H H 54 8.840 8.842 -0.002 2
1 648 . 1 1 A 54 54 VAL HA H 54 4.680 4.660 0.020 2
1 656 . 1 1 A 54 54 VAL CA C 54 58.900 58.554 0.346 2
1 657 . 1 1 A 54 54 VAL CB C 54 31.900 33.964 -2.064 2
1 660 . 1 1 A 54 54 VAL N N 54 123.100 125.013 -1.913 2
1 661 . 1 1 A 55 55 PRO HA H 55 4.480 4.319 0.161 2
1 668 . 1 1 A 55 55 PRO CA C 55 65.720 64.955 0.765 2
1 669 . 1 1 A 55 55 PRO CB C 55 32.040 31.987 0.053 2
1 672 . 1 1 A 56 56 GLU H H 56 10.050 8.504 1.546 2
1 673 . 1 1 A 56 56 GLU HA H 56 4.145 4.101 0.044 2
1 678 . 1 1 A 56 56 GLU CA C 56 58.580 59.334 -0.754 2
1 679 . 1 1 A 56 56 GLU CB C 56 30.000 29.182 0.818 2
1 681 . 1 1 A 56 56 GLU N N 56 118.000 117.595 0.405 2
1 682 . 1 1 A 57 57 ARG H H 57 7.550 7.555 -0.005 2
1 683 . 1 1 A 57 57 ARG HA H 57 4.480 4.457 0.023 2
1 691 . 1 1 A 57 57 ARG CA C 57 52.560 55.251 -2.691 2
1 692 . 1 1 A 57 57 ARG CB C 57 29.990 30.647 -0.657 2
1 695 . 1 1 A 57 57 ARG N N 57 116.400 117.004 -0.604 2
1 697 . 1 1 A 58 58 ASP H H 58 7.920 8.107 -0.187 2
1 698 . 1 1 A 58 58 ASP HA H 58 4.250 4.260 -0.010 2
1 701 . 1 1 A 58 58 ASP CA C 58 55.420 55.087 0.333 2
1 702 . 1 1 A 58 58 ASP CB C 58 39.860 39.185 0.675 2
1 703 . 1 1 A 58 58 ASP N N 58 118.400 118.548 -0.148 2
1 704 . 1 1 A 59 59 LEU H H 59 6.930 7.815 -0.885 2
1 705 . 1 1 A 59 59 LEU HA H 59 4.770 4.821 -0.051 2
1 715 . 1 1 A 59 59 LEU CA C 59 53.830 54.067 -0.237 2
1 716 . 1 1 A 59 59 LEU CB C 59 45.800 44.259 1.541 2
1 720 . 1 1 A 59 59 LEU N N 59 116.500 120.914 -4.414 2
1 721 . 1 1 A 60 60 ALA H H 60 8.690 8.894 -0.204 2
1 722 . 1 1 A 60 60 ALA HA H 60 5.353 5.021 0.332 2
1 726 . 1 1 A 60 60 ALA CA C 60 52.020 50.950 1.070 2
1 727 . 1 1 A 60 60 ALA CB C 60 21.060 19.822 1.238 2
1 728 . 1 1 A 60 60 ALA N N 60 130.000 128.730 1.271 2
1 729 . 1 1 A 61 61 PHE H H 61 8.470 9.063 -0.593 2
1 730 . 1 1 A 61 61 PHE HA H 61 4.933 5.171 -0.238 2
1 737 . 1 1 A 61 61 PHE CA C 61 56.500 56.885 -0.385 2
1 738 . 1 1 A 61 61 PHE CB C 61 39.720 42.611 -2.891 2
1 743 . 1 1 A 61 61 PHE N N 61 117.500 123.985 -6.485 2
1 744 . 1 1 A 62 62 ARG H H 62 9.270 8.259 1.010 2
1 745 . 1 1 A 62 62 ARG HA H 62 5.290 4.840 0.450 2
1 753 . 1 1 A 62 62 ARG CA C 62 54.950 54.944 0.007 2
1 754 . 1 1 A 62 62 ARG CB C 62 30.800 31.475 -0.675 2
1 757 . 1 1 A 62 62 ARG N N 62 122.500 126.790 -4.290 2
1 759 . 1 1 A 63 63 GLY H H 63 9.370 8.907 0.463 2
1 760 . 1 1 A 63 63 GLY HA2 H 63 5.440 4.093 1.347 2
1 761 . 1 1 A 63 63 GLY HA3 H 63 3.460 4.277 -0.817 2
1 762 . 1 1 A 63 63 GLY CA C 63 45.000 44.594 0.406 2
1 763 . 1 1 A 63 63 GLY N N 63 112.700 113.282 -0.582 2
1 764 . 1 1 A 64 64 GLU H H 64 9.090 8.817 0.273 2
1 765 . 1 1 A 64 64 GLU HA H 64 5.410 5.061 0.349 2
1 770 . 1 1 A 64 64 GLU CA C 64 53.160 55.235 -2.075 2
1 771 . 1 1 A 64 64 GLU CB C 64 33.500 32.021 1.479 2
1 773 . 1 1 A 64 64 GLU N N 64 118.400 119.314 -0.914 2
1 774 . 1 1 A 65 65 MET H H 65 9.320 9.033 0.287 2
1 775 . 1 1 A 65 65 MET HA H 65 5.070 4.672 0.398 2
1 783 . 1 1 A 65 65 MET CA C 65 56.700 54.611 2.089 2
1 784 . 1 1 A 65 65 MET CB C 65 34.500 32.898 1.602 2
1 787 . 1 1 A 65 65 MET N N 65 124.900 122.564 2.336 2
1 788 . 1 1 A 66 66 THR H H 66 8.970 8.619 0.351 2
1 789 . 1 1 A 66 66 THR HA H 66 4.480 4.302 0.178 2
1 794 . 1 1 A 66 66 THR CA C 66 61.970 62.522 -0.552 2
1 795 . 1 1 A 66 66 THR CB C 66 69.160 69.461 -0.301 2
1 797 . 1 1 A 66 66 THR N N 66 120.300 117.201 3.099 2
1 798 . 1 1 A 67 67 ASN H H 67 7.850 7.577 0.273 2
1 799 . 1 1 A 67 67 ASN HA H 67 4.850 4.548 0.302 2
1 804 . 1 1 A 67 67 ASN CA C 67 54.240 52.677 1.563 2
1 805 . 1 1 A 67 67 ASN CB C 67 41.900 39.352 2.548 2
1 806 . 1 1 A 67 67 ASN N N 67 119.200 118.747 0.453 2
1 808 . 1 1 A 68 68 TYR H H 68 8.720 8.604 0.116 2
1 809 . 1 1 A 68 68 TYR HA H 68 4.611 4.788 -0.177 2
1 812 . 1 1 A 68 68 TYR CA C 68 54.600 57.542 -2.942 2
1 813 . 1 1 A 68 68 TYR CB C 68 41.180 39.493 1.687 2
1 814 . 1 1 A 68 68 TYR N N 68 123.200 122.055 1.145 2
1 815 . 1 1 A 69 69 SER H H 69 8.160 8.263 -0.103 2
1 816 . 1 1 A 69 69 SER HA H 69 4.450 4.641 -0.191 2
1 819 . 1 1 A 69 69 SER CA C 69 58.913 57.823 1.090 2
1 820 . 1 1 A 69 69 SER CB C 69 65.000 63.813 1.187 2
1 821 . 1 1 A 69 69 SER N N 69 115.000 117.035 -2.035 2
1 822 . 1 1 A 70 70 THR H H 70 8.250 8.277 -0.027 2
1 823 . 1 1 A 70 70 THR HA H 70 4.200 4.500 -0.300 2
1 828 . 1 1 A 70 70 THR CA C 70 62.200 62.528 -0.328 2
1 829 . 1 1 A 70 70 THR CB C 70 70.060 69.231 0.828 2
1 831 . 1 1 A 70 70 THR N N 70 111.000 117.476 -6.476 2
1 832 . 1 1 A 71 71 SER HA H 71 4.610 4.711 -0.101 2
1 835 . 1 1 A 71 71 SER CA C 71 58.100 58.028 0.072 2
1 836 . 1 1 A 71 71 SER CB C 71 63.600 64.789 -1.189 2
1 837 . 1 1 A 72 72 LEU H H 72 8.290 8.363 -0.073 2
1 838 . 1 1 A 72 72 LEU HA H 72 4.300 4.401 -0.101 2
1 847 . 1 1 A 72 72 LEU CA C 72 56.500 54.759 1.741 2
1 848 . 1 1 A 72 72 LEU CB C 72 40.600 42.124 -1.524 2
1 852 . 1 1 A 72 72 LEU N N 72 122.300 122.535 -0.235 2
1 853 . 1 1 A 73 73 THR H H 73 8.000 8.036 -0.036 2
1 854 . 1 1 A 73 73 THR HA H 73 5.110 4.265 0.845 2
1 859 . 1 1 A 73 73 THR CA C 73 59.300 62.600 -3.300 2
1 860 . 1 1 A 73 73 THR CB C 73 71.950 68.373 3.578 2
1 862 . 1 1 A 74 74 ASN H H 74 8.370 8.299 0.071 2
1 863 . 1 1 A 74 74 ASN HA H 74 4.660 4.901 -0.241 2
1 868 . 1 1 A 74 74 ASN CA C 74 52.780 53.185 -0.405 2
1 869 . 1 1 A 74 74 ASN CB C 74 38.360 39.715 -1.355 2
1 870 . 1 1 A 74 74 ASN N N 74 121.500 119.612 1.888 2
1 872 . 1 1 A 75 75 LEU H H 75 8.020 8.466 -0.446 2
1 873 . 1 1 A 75 75 LEU HA H 75 3.970 4.280 -0.310 2
1 883 . 1 1 A 75 75 LEU CA C 75 55.500 55.735 -0.235 2
1 884 . 1 1 A 75 75 LEU CB C 75 41.800 42.250 -0.450 2
1 888 . 1 1 A 75 75 LEU N N 75 123.200 120.568 2.632 2
1 889 . 1 1 A 76 76 TYR H H 76 7.930 8.362 -0.432 2
1 890 . 1 1 A 76 76 TYR HA H 76 4.450 4.688 -0.238 2
1 897 . 1 1 A 76 76 TYR CA C 76 58.000 58.783 -0.783 2
1 898 . 1 1 A 76 76 TYR CB C 76 37.700 39.019 -1.319 2
1 903 . 1 1 A 76 76 TYR N N 76 116.100 119.603 -3.503 2
1 904 . 1 1 A 77 77 GLU H H 77 7.410 8.099 -0.689 2
1 905 . 1 1 A 77 77 GLU HA H 77 4.650 4.606 0.044 2
1 910 . 1 1 A 77 77 GLU CA C 77 53.700 53.498 0.202 2
1 911 . 1 1 A 77 77 GLU CB C 77 30.200 30.936 -0.736 2
1 913 . 1 1 A 77 77 GLU N N 77 122.300 121.228 1.072 2
1 914 . 1 1 A 78 78 PRO HA H 78 4.340 4.698 -0.358 2
1 921 . 1 1 A 78 78 PRO CA C 78 64.000 63.150 0.850 2
1 922 . 1 1 A 78 78 PRO CB C 78 31.740 32.223 -0.483 2
1 925 . 1 1 A 79 79 GLY H H 79 8.980 8.086 0.894 2
1 926 . 1 1 A 79 79 GLY HA2 H 79 3.822 4.123 -0.301 2
1 927 . 1 1 A 79 79 GLY HA3 H 79 4.090 4.144 -0.054 2
1 928 . 1 1 A 79 79 GLY CA C 79 45.570 45.042 0.527 2
1 929 . 1 1 A 79 79 GLY N N 79 112.300 108.052 4.248 2
1 930 . 1 1 A 80 80 ALA H H 80 7.670 8.315 -0.645 2
1 931 . 1 1 A 80 80 ALA HA H 80 4.300 4.526 -0.226 2
1 935 . 1 1 A 80 80 ALA CA C 80 52.880 52.397 0.483 2
1 936 . 1 1 A 80 80 ALA CB C 80 20.670 20.029 0.641 2
1 937 . 1 1 A 80 80 ALA N N 80 123.200 124.091 -0.891 2
1 938 . 1 1 A 81 81 VAL H H 81 8.280 7.937 0.343 2
1 939 . 1 1 A 81 81 VAL HA H 81 4.410 4.543 -0.133 2
1 947 . 1 1 A 81 81 VAL CA C 81 61.540 61.773 -0.233 2
1 948 . 1 1 A 81 81 VAL CB C 81 34.000 33.610 0.390 2
1 951 . 1 1 A 82 82 SER H H 82 8.970 8.903 0.067 2
1 952 . 1 1 A 82 82 SER HA H 82 4.685 4.846 -0.161 2
1 955 . 1 1 A 82 82 SER CA C 82 57.180 58.103 -0.923 2
1 956 . 1 1 A 82 82 SER CB C 82 65.200 64.600 0.600 2
1 957 . 1 1 A 82 82 SER N N 82 122.000 120.876 1.124 2
1 958 . 1 1 A 83 83 GLU H H 83 8.360 8.637 -0.277 2
1 959 . 1 1 A 83 83 GLU HA H 83 4.500 4.858 -0.358 2
1 964 . 1 1 A 83 83 GLU CA C 83 53.020 55.910 -2.890 2
1 965 . 1 1 A 83 83 GLU CB C 83 31.800 30.774 1.026 2
1 967 . 1 1 A 83 83 GLU N N 83 122.800 124.156 -1.356 2
1 968 . 1 1 A 84 84 PHE H H 84 9.160 9.528 -0.368 2
1 969 . 1 1 A 84 84 PHE HA H 84 4.920 5.053 -0.133 2
1 977 . 1 1 A 84 84 PHE CA C 84 54.840 57.685 -2.845 2
1 978 . 1 1 A 84 84 PHE CB C 84 40.690 40.573 0.117 2
1 984 . 1 1 A 84 84 PHE N N 84 123.800 124.622 -0.822 2
1 985 . 1 1 A 85 85 TYR H H 85 8.810 8.778 0.032 2
1 986 . 1 1 A 85 85 TYR HA H 85 5.050 5.014 0.036 2
1 993 . 1 1 A 85 85 TYR CA C 85 56.190 56.601 -0.411 2
1 994 . 1 1 A 85 85 TYR CB C 85 37.800 39.610 -1.810 2
1 999 . 1 1 A 85 85 TYR N N 85 123.600 123.417 0.183 2
1 1000 . 1 1 A 86 86 ILE H H 86 8.340 8.517 -0.177 2
1 1001 . 1 1 A 86 86 ILE HA H 86 4.520 4.440 0.080 2
1 1011 . 1 1 A 86 86 ILE CA C 86 59.340 60.150 -0.809 2
1 1012 . 1 1 A 86 86 ILE CB C 86 40.300 38.314 1.986 2
1 1016 . 1 1 A 86 86 ILE N N 86 126.200 127.057 -0.857 2
1 1017 . 1 1 A 87 87 GLU H H 87 8.200 8.667 -0.467 2
1 1018 . 1 1 A 87 87 GLU HA H 87 5.330 4.941 0.389 2
1 1023 . 1 1 A 87 87 GLU CA C 87 54.500 54.947 -0.447 2
1 1024 . 1 1 A 87 87 GLU CB C 87 34.100 31.324 2.776 2
1 1026 . 1 1 A 87 87 GLU N N 87 124.600 127.438 -2.838 2
1 1027 . 1 1 A 88 88 ILE H H 88 9.250 9.235 0.015 2
1 1028 . 1 1 A 88 88 ILE HA H 88 5.080 4.737 0.343 2
1 1038 . 1 1 A 88 88 ILE CA C 88 59.900 60.154 -0.254 2
1 1039 . 1 1 A 88 88 ILE CB C 88 42.100 39.579 2.521 2
1 1043 . 1 1 A 88 88 ILE N N 88 124.900 127.497 -2.597 2
1 1044 . 1 1 A 89 89 THR H H 89 9.020 8.666 0.354 2
1 1045 . 1 1 A 89 89 THR HA H 89 4.960 4.716 0.244 2
1 1050 . 1 1 A 89 89 THR CA C 89 61.600 61.267 0.333 2
1 1051 . 1 1 A 89 89 THR CB C 89 70.000 70.426 -0.426 2
1 1053 . 1 1 A 89 89 THR N N 89 122.900 121.163 1.737 2
1 1054 . 1 1 A 90 90 GLU H H 90 8.910 8.275 0.635 2
1 1055 . 1 1 A 90 90 GLU HA H 90 4.730 4.501 0.229 2
1 1060 . 1 1 A 90 90 GLU CA C 90 57.300 57.329 -0.029 2
1 1061 . 1 1 A 90 90 GLU CB C 90 30.570 30.122 0.448 2
1 1063 . 1 1 A 90 90 GLU N N 90 128.600 124.472 4.128 2
1 1064 . 1 1 A 91 91 ILE H H 91 8.550 8.605 -0.055 2
1 1065 . 1 1 A 91 91 ILE HA H 91 4.230 4.192 0.038 2
1 1075 . 1 1 A 91 91 ILE CA C 91 61.400 61.912 -0.512 2
1 1076 . 1 1 A 91 91 ILE CB C 91 39.800 38.896 0.904 2
1 1080 . 1 1 A 91 91 ILE N N 91 124.600 126.644 -2.044 2
1 1081 . 1 1 A 92 92 ASP H H 92 8.550 8.867 -0.317 2
1 1082 . 1 1 A 92 92 ASP HA H 92 4.612 4.871 -0.259 2
1 1085 . 1 1 A 92 92 ASP CA C 92 54.370 53.609 0.761 2
1 1086 . 1 1 A 92 92 ASP CB C 92 41.570 42.546 -0.976 2
1 1087 . 1 1 A 92 92 ASP N N 92 124.100 127.656 -3.556 2
1 1088 . 1 1 A 93 93 LYS H H 93 8.530 8.686 -0.156 2
1 1089 . 1 1 A 93 93 LYS HA H 93 4.240 4.493 -0.253 2
1 1098 . 1 1 A 93 93 LYS CA C 93 57.100 56.477 0.623 2
1 1099 . 1 1 A 93 93 LYS CB C 93 32.900 32.502 0.398 2
1 1103 . 1 1 A 93 93 LYS N N 93 123.200 121.362 1.838 2
1 1104 . 1 1 A 94 94 ASN H H 94 8.590 8.149 0.441 2
1 1105 . 1 1 A 94 94 ASN HA H 94 4.680 4.530 0.150 2
1 1110 . 1 1 A 94 94 ASN CA C 94 53.300 55.132 -1.832 2
1 1111 . 1 1 A 94 94 ASN CB C 94 38.700 38.343 0.357 2
1 1112 . 1 1 A 94 94 ASN N N 94 118.800 118.223 0.577 2
1 1114 . 1 1 A 95 95 ALA H H 95 8.110 7.781 0.329 2
1 1115 . 1 1 A 95 95 ALA HA H 95 4.270 4.247 0.023 2
1 1119 . 1 1 A 95 95 ALA CA C 95 53.160 53.908 -0.748 2
1 1120 . 1 1 A 95 95 ALA CB C 95 19.100 19.041 0.059 2
1 1121 . 1 1 A 95 95 ALA N N 95 123.990 120.649 3.341 2
1 1122 . 1 1 A 96 96 ASP H H 96 8.290 8.051 0.239 2
1 1123 . 1 1 A 96 96 ASP HA H 96 4.610 4.869 -0.259 2
1 1126 . 1 1 A 96 96 ASP CA C 96 54.400 53.685 0.715 2
1 1127 . 1 1 A 96 96 ASP CB C 96 41.300 42.801 -1.501 2
1 1128 . 1 1 A 96 96 ASP N N 96 119.100 118.272 0.828 2
1 1129 . 1 1 A 97 97 SER H H 97 8.150 8.664 -0.514 2
1 1130 . 1 1 A 97 97 SER HA H 97 4.380 4.787 -0.407 2
1 1133 . 1 1 A 97 97 SER CA C 97 58.600 57.399 1.201 2
1 1134 . 1 1 A 97 97 SER CB C 97 63.600 64.413 -0.813 2
1 1135 . 1 1 A 97 97 SER N N 97 115.800 117.124 -1.324 2
1 1136 . 1 1 A 98 98 LEU H H 98 8.240 7.675 0.565 2
1 1137 . 1 1 A 98 98 LEU HA H 98 4.260 4.498 -0.238 2
1 1147 . 1 1 A 98 98 LEU CA C 98 55.650 54.304 1.346 2
1 1148 . 1 1 A 98 98 LEU CB C 98 42.190 42.623 -0.432 2
1 1152 . 1 1 A 98 98 LEU N N 98 123.500 123.686 -0.186 2
1 1153 . 1 1 A 99 99 GLU H H 99 8.190 8.507 -0.317 2
1 1154 . 1 1 A 99 99 GLU HA H 99 4.130 4.404 -0.274 2
1 1159 . 1 1 A 99 99 GLU CA C 99 56.850 56.477 0.373 2
1 1160 . 1 1 A 99 99 GLU CB C 99 29.900 30.384 -0.484 2
1 1162 . 1 1 A 99 99 GLU N N 99 119.900 123.483 -3.583 2
1 1163 . 1 1 A 100 100 HIS H H 100 8.200 8.435 -0.235 2
1 1164 . 1 1 A 100 100 HIS HA H 100 4.560 4.670 -0.110 2
1 1168 . 1 1 A 100 100 HIS CA C 100 55.835 55.781 0.055 2
1 1169 . 1 1 A 100 100 HIS CB C 100 30.370 29.476 0.894 2
stop_
save_