============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TYR 34 0.840 15.620 42.212 42.041 -99.200 -91.000 PHE 37 1.000 17.293 36.563 40.386 -99.200 -91.000 TYR 38 0.840 12.141 39.991 46.041 -99.200 -91.000 PHE 39 1.000 6.948 39.120 44.189 -99.200 -91.000 HIS 46 0.900 2.448 31.730 46.691 -99.200 -91.000 PHE 54 1.000 10.214 44.157 44.003 -99.200 -91.000 TYR 67 0.840 26.950 47.315 38.816 -99.200 -91.000 TYR 69 0.840 28.379 38.101 48.678 -99.200 -91.000 TYR 84 0.840 8.857 39.679 56.170 -99.200 -91.000 TRP 115 1.040 46.902 61.199 48.786 -99.200 -91.000 TRP6 115 1.020 47.815 59.864 50.500 -99.200 -91.000 HIS 124 0.900 43.894 60.589 62.002 -99.200 -91.000 TYR 140 0.840 42.763 43.027 62.605 -99.200 -91.000 TYR 151 0.840 52.569 53.803 62.676 -99.200 -91.000 TYR 155 0.840 38.828 57.912 64.241 -99.200 -91.000 TYR 158 0.840 31.180 47.010 62.366 -99.200 -91.000 PHE 162 1.000 22.469 58.681 60.062 -99.200 -91.000 PHE 195 1.000 17.161 38.660 48.187 -99.200 -91.000 HIS 202 0.900 5.484 42.366 57.650 -99.200 -91.000 PHE 212 1.000 17.540 49.669 51.239 -99.200 -91.000 PHE 234 1.000 33.468 67.989 45.028 -99.200 -91.000 TRP 238 1.040 28.204 74.974 59.417 -99.200 -91.000 TRP6 238 1.020 26.067 74.069 59.022 -99.200 -91.000 HIS 254 0.900 14.135 47.307 64.777 -99.200 -91.000 PHE 262 1.000 17.201 49.144 56.316 -99.200 -91.000 HIS 263 0.900 10.674 46.727 60.563 -99.200 -91.000 PHE 284 1.000 24.460 76.187 51.377 -99.200 -91.000 TYR 292 0.840 18.202 77.396 49.565 -99.200 -91.000 PHE 296 1.000 29.379 71.824 44.776 -99.200 -91.000 TRP 297 1.040 21.010 71.357 45.582 -99.200 -91.000 TRP6 297 1.020 19.555 70.581 47.274 -99.200 -91.000 HIS 300 0.900 21.061 57.788 50.624 -99.200 -91.000 TYR 331 0.840 27.156 52.845 40.194 -99.200 -91.000 PHE 341 1.000 29.727 54.079 44.035 -99.200 -91.000 TRP 364 1.040 30.053 79.442 48.480 -99.200 -91.000 TRP6 364 1.020 31.525 78.870 50.222 -99.200 -91.000 PHE 368 1.000 20.741 68.772 52.287 -99.200 -91.000 PHE 370 1.000 18.026 63.603 52.383 -99.200 -91.000