============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. TYR 17 0.840 -7.298 20.572 78.594 -99.200 -91.000 HIS 27 0.900 -13.154 14.256 62.924 -99.200 -91.000 PHE 28 1.000 -15.376 19.187 64.197 -99.200 -91.000 PHE 29 1.000 -8.216 21.515 55.973 -99.200 -91.000 PHE 34 1.000 -13.271 23.467 54.517 -99.200 -91.000 TYR 39 0.840 -13.234 22.028 68.687 -99.200 -91.000 TYR 40 0.840 -7.354 24.418 63.015 -99.200 -91.000 TYR 42 0.840 -13.163 26.766 71.604 -99.200 -91.000 PHE 53 1.000 -2.025 25.800 67.973 -99.200 -91.000 TYR 54 0.840 -1.592 32.653 65.216 -99.200 -91.000 TYR 61 0.840 -10.832 32.449 57.591 -99.200 -91.000 PHE 73 1.000 -6.669 34.264 61.236 -99.200 -91.000 HIS 84 0.900 4.176 27.299 58.550 -99.200 -91.000 PHE 101 1.000 -1.332 39.381 39.119 -99.200 -91.000 PHE 106 1.000 9.694 40.000 49.521 -99.200 -91.000 PHE 144 1.000 9.944 51.284 4.340 -99.200 -91.000 PHE 145 1.000 11.111 56.172 4.077 -99.200 -91.000 PHE 148 1.000 10.940 53.431 -1.470 -99.200 -91.000 HIS 151 0.900 16.315 64.778 -9.320 -99.200 -91.000 TYR 163 0.840 -8.556 75.437 -8.571 -99.200 -91.000 TYR 167 0.840 3.291 73.739 -5.243 -99.200 -91.000 TYR 178 0.840 13.072 59.786 -0.278 -99.200 -91.000 TYR 185 0.840 14.931 59.343 8.289 -99.200 -91.000 TYR 199 0.840 -2.114 67.885 -0.768 -99.200 -91.000 HIS 200 0.900 -7.425 63.641 5.066 -99.200 -91.000 TYR 220 0.840 6.880 59.094 0.082 -99.200 -91.000 PHE 224 1.000 7.717 59.212 7.686 -99.200 -91.000 HIS 225 0.900 -0.517 57.440 10.782 -99.200 -91.000 PHE 226 1.000 4.789 48.722 7.636 -99.200 -91.000 HIS 245 0.900 -1.850 59.132 -10.186 -99.200 -91.000 TYR 251 0.840 -2.354 49.096 -6.043 -99.200 -91.000 PHE 253 1.000 5.501 53.261 0.509 -99.200 -91.000 PHE 267 1.000 4.313 41.262 -0.175 -99.200 -91.000 PHE 268 1.000 4.565 36.950 -3.356 -99.200 -91.000 PHE 270 1.000 -2.944 44.743 -1.804 -99.200 -91.000 PHE 271 1.000 5.180 44.179 -3.682 -99.200 -91.000 TYR 281 0.840 8.979 52.791 -8.198 -99.200 -91.000 TYR 285 0.840 10.202 44.510 -11.340 -99.200 -91.000 TYR 286 0.840 15.599 45.856 -2.013 -99.200 -91.000 HIS 287 0.900 10.111 47.420 -0.531 -99.200 -91.000 TYR 292 0.840 8.731 35.727 -5.125 -99.200 -91.000 PHE 293 1.000 17.389 36.666 1.249 -99.200 -91.000 TYR 298 0.840 16.980 30.989 -0.006 -99.200 -91.000 PHE 305 1.000 16.380 40.611 -3.464 -99.200 -91.000 TYR 317 0.840 20.212 49.248 1.204 -99.200 -91.000 TYR 319 0.840 25.057 46.225 -7.575 -99.200 -91.000 TYR 327 0.840 26.035 32.681 5.122 -99.200 -91.000 PHE 332 1.000 32.268 32.900 3.688 -99.200 -91.000 PHE 338 1.000 26.692 39.722 -6.474 -99.200 -91.000 PHE 339 1.000 27.981 40.594 1.210 -99.200 -91.000 PHE 346 1.000 27.295 50.506 -5.413 -99.200 -91.000 PHE 355 1.000 22.604 44.601 4.729 -99.200 -91.000 PHE 356 1.000 32.098 39.211 3.908 -99.200 -91.000 PHE 366 1.000 31.474 34.546 16.876 -99.200 -91.000 TYR 373 0.840 29.106 44.138 12.617 -99.200 -91.000 HIS 387 0.900 25.011 56.043 3.064 -99.200 -91.000 PHE 412 1.000 29.818 43.498 31.224 -99.200 -91.000 PHE 453 1.000 15.757 44.963 31.027 -99.200 -91.000 PHE 470 1.000 13.943 40.612 28.950 -99.200 -91.000