============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TRP 4 1.040 -23.754 -3.938 32.561 -99.200 -91.000 TRP6 4 1.020 -25.621 -2.550 32.977 -99.200 -91.000 PHE 13 1.000 -29.227 2.635 21.277 -99.200 -91.000 HIS 36 0.900 -11.959 10.652 30.226 -99.200 -91.000 PHE 53 1.000 -12.265 17.549 13.058 -99.200 -91.000 TRP 55 1.040 -22.669 23.890 13.544 -99.200 -91.000 TRP6 55 1.020 -23.449 24.910 11.558 -99.200 -91.000 TYR 92 0.840 -18.362 27.321 21.224 -99.200 -91.000 HIS 93 0.900 -16.935 29.283 10.874 -99.200 -91.000 TYR 99 0.840 -5.489 27.071 11.341 -99.200 -91.000 HIS 110 0.900 -7.200 20.668 1.935 -99.200 -91.000 PHE 114 1.000 -19.165 24.968 1.404 -99.200 -91.000 HIS 131 0.900 -13.969 26.196 -1.187 -99.200 -91.000 PHE 132 1.000 -20.813 21.749 -2.231 -99.200 -91.000 TYR 138 0.840 -10.331 16.648 0.702 -99.200 -91.000 TRP 139 1.040 -18.018 17.261 2.983 -99.200 -91.000 TRP6 139 1.020 -19.862 18.675 2.491 -99.200 -91.000 PHE 154 1.000 -27.679 27.302 14.256 -99.200 -91.000 TYR 155 0.840 -31.461 24.602 12.716 -99.200 -91.000 PHE 176 1.000 -33.172 20.017 11.108 -99.200 -91.000 PHE 177 1.000 -31.531 12.573 13.985 -99.200 -91.000 HIS 180 0.900 -40.057 5.402 16.429 -99.200 -91.000 TYR 202 0.840 -13.704 3.440 14.131 -99.200 -91.000 TYR 212 0.840 -39.878 9.851 25.807 -99.200 -91.000 TYR 223 0.840 -29.351 9.133 10.400 -99.200 -91.000