============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. TYR 6 0.840 39.305 27.836 51.410 -99.200 -91.000 HIS 15 0.900 39.833 22.723 49.216 -99.200 -91.000 PHE 19 1.000 32.878 18.418 53.434 -99.200 -91.000 PHE 26 1.000 36.660 23.315 53.617 -99.200 -91.000 PHE 39 1.000 31.916 27.299 49.135 -99.200 -91.000 HIS 55 0.900 18.309 35.466 49.087 -99.200 -91.000 HIS 57 0.900 18.901 26.585 49.223 -99.200 -91.000 PHE 60 1.000 21.454 20.348 44.195 -99.200 -91.000 PHE 61 1.000 17.258 21.550 46.364 -99.200 -91.000 TYR 74 0.840 22.503 11.114 45.296 -99.200 -91.000 PHE 76 1.000 26.765 6.409 48.238 -99.200 -91.000 PHE 81 1.000 18.452 2.994 45.595 -99.200 -91.000 TYR 87 0.840 18.828 8.112 43.178 -99.200 -91.000 TYR 91 0.840 19.114 10.822 33.319 -99.200 -91.000 PHE 100 1.000 5.394 1.987 38.675 -99.200 -91.000 PHE 110 1.000 0.865 7.904 55.341 -99.200 -91.000 PHE 113 1.000 0.694 3.055 56.794 -99.200 -91.000 HIS 119 0.900 0.202 -3.994 68.730 -99.200 -91.000 PHE 124 1.000 12.117 -0.376 72.396 -99.200 -91.000 TRP 129 1.040 12.174 2.873 76.989 -99.200 -91.000 TRP6 129 1.020 11.405 4.788 75.890 -99.200 -91.000 PHE 155 1.000 8.403 -5.250 55.358 -99.200 -91.000 PHE 168 1.000 13.622 -5.220 55.931 -99.200 -91.000 PHE 185 1.000 33.194 13.578 47.184 -99.200 -91.000 HIS 201 0.900 25.747 -11.813 45.510 -99.200 -91.000 TYR 234 0.840 8.861 -0.755 35.141 -99.200 -91.000 HIS 243 0.900 17.106 -6.635 39.987 -99.200 -91.000 PHE 254 1.000 20.161 3.588 53.663 -99.200 -91.000 HIS 258 0.900 20.096 3.922 59.031 -99.200 -91.000 TRP 266 1.040 19.671 15.374 65.962 -99.200 -91.000 TRP6 266 1.020 21.313 16.168 67.450 -99.200 -91.000 HIS 270 0.900 17.518 19.824 69.956 -99.200 -91.000 HIS 273 0.900 19.531 21.482 77.595 -99.200 -91.000 HIS 279 0.900 10.762 25.748 72.776 -99.200 -91.000 PHE 290 1.000 -3.648 14.604 70.171 -99.200 -91.000 TYR 296 0.840 -4.809 10.606 58.052 -99.200 -91.000 PHE 305 1.000 5.749 23.153 70.171 -99.200 -91.000 TYR 336 0.840 30.153 33.573 41.138 -99.200 -91.000 HIS 352 0.900 18.513 22.958 56.864 -99.200 -91.000 HIS 353 0.900 24.023 25.268 60.996 -99.200 -91.000 PHE 358 1.000 16.855 28.405 58.463 -99.200 -91.000 TRP 364 1.040 15.178 22.009 68.465 -99.200 -91.000 TRP6 364 1.020 13.499 21.773 70.080 -99.200 -91.000 PHE 376 1.000 13.300 22.206 56.534 -99.200 -91.000 PHE 379 1.000 11.278 16.324 55.587 -99.200 -91.000 HIS 384 0.900 16.155 13.484 41.531 -99.200 -91.000 PHE 391 1.000 5.905 5.306 57.005 -99.200 -91.000 PHE 404 1.000 8.942 14.005 75.369 -99.200 -91.000 TYR 407 0.840 7.885 5.645 79.611 -99.200 -91.000 PHE 409 1.000 11.788 10.070 77.682 -99.200 -91.000 TYR 421 0.840 28.640 17.643 61.693 -99.200 -91.000 HIS 422 0.900 34.067 11.861 61.812 -99.200 -91.000 TYR 437 0.840 12.952 3.673 81.621 -99.200 -91.000