============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 13 1.000 10.244 -4.918 15.102 -99.200 -91.000 HIS 23 0.900 25.327 6.067 20.778 -99.200 -91.000 TYR 26 0.840 18.607 2.971 8.902 -99.200 -91.000 PHE 27 1.000 16.666 -1.138 16.077 -99.200 -91.000 HIS 30 0.900 15.191 -11.408 10.562 -99.200 -91.000 TYR 38 0.840 12.411 -26.374 20.600 -99.200 -91.000 PHE 42 1.000 8.977 -32.477 15.054 -99.200 -91.000 PHE 60 1.000 4.722 -5.186 14.248 -99.200 -91.000 TYR 62 0.840 -4.530 -10.525 10.574 -99.200 -91.000 TRP 67 1.040 8.357 -16.943 9.127 -99.200 -91.000 TRP6 67 1.020 9.854 -16.309 7.394 -99.200 -91.000 HIS 77 0.900 -6.176 -26.918 15.672 -99.200 -91.000 PHE 89 1.000 12.774 -11.169 20.141 -99.200 -91.000 PHE 90 1.000 12.650 -2.803 19.409 -99.200 -91.000 HIS 94 0.900 27.932 -9.557 17.454 -99.200 -91.000 TYR 95 0.840 27.981 -1.811 24.285 -99.200 -91.000 TYR 105 0.840 12.143 -10.610 26.265 -99.200 -91.000 TYR 106 0.840 9.442 -1.891 24.412 -99.200 -91.000 TYR 124 0.840 -3.686 -29.035 17.004 -99.200 -91.000 HIS 132 0.900 9.382 -27.913 23.030 -99.200 -91.000 TYR 149 0.840 1.192 -26.785 35.679 -99.200 -91.000 PHE 152 1.000 4.306 -30.186 29.204 -99.200 -91.000 PHE 160 1.000 9.582 -26.754 30.528 -99.200 -91.000 TRP 169 1.040 10.976 -17.056 34.999 -99.200 -91.000 TRP6 169 1.020 9.540 -18.930 35.130 -99.200 -91.000 PHE 185 1.000 1.814 -32.054 33.886 -99.200 -91.000 HIS 186 0.900 9.150 -39.594 32.648 -99.200 -91.000 PHE 189 1.000 12.398 -36.482 22.963 -99.200 -91.000 PHE 213 1.000 17.302 -30.897 35.322 -99.200 -91.000 TYR 216 0.840 12.393 -34.367 38.604 -99.200 -91.000 TYR 232 0.840 24.184 -36.086 30.185 -99.200 -91.000 TYR 233 0.840 21.219 -42.438 24.204 -99.200 -91.000 TYR 238 0.840 27.742 -38.319 20.550 -99.200 -91.000 TYR 239 0.840 31.715 -32.206 23.655 -99.200 -91.000 TYR 243 0.840 30.853 -28.548 13.357 -99.200 -91.000 PHE 261 1.000 18.067 -35.169 20.482 -99.200 -91.000 TYR 265 0.840 12.924 -40.353 19.739 -99.200 -91.000 TYR 266 0.840 9.052 -38.107 17.893 -99.200 -91.000 PHE 269 1.000 18.847 -38.999 11.111 -99.200 -91.000 TYR 277 0.840 22.471 -35.721 10.188 -99.200 -91.000 PHE 304 1.000 28.297 -27.804 9.063 -99.200 -91.000