============================================================================= 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 9 1.040 9.944 53.153 51.323 -99.200 -91.000 TRP6 9 1.020 11.799 54.153 52.395 -99.200 -91.000 HIS 31 0.900 0.813 66.425 38.176 -99.200 -91.000 TYR 54 0.840 16.039 49.749 38.991 -99.200 -91.000 PHE 82 1.000 4.281 55.606 24.599 -99.200 -91.000 PHE 85 1.000 7.212 46.073 19.209 -99.200 -91.000 TYR 87 0.840 12.491 45.340 14.673 -99.200 -91.000 PHE 99 1.000 8.772 50.014 15.635 -99.200 -91.000 PHE 117 1.000 -0.381 52.187 10.049 -99.200 -91.000 TRP 118 1.040 -1.979 53.986 5.656 -99.200 -91.000 TRP6 118 1.020 -0.206 55.552 5.666 -99.200 -91.000 TRP 130 1.040 5.758 65.777 12.909 -99.200 -91.000 TRP6 130 1.020 6.534 63.864 14.064 -99.200 -91.000 TYR 134 0.840 9.476 60.869 10.153 -99.200 -91.000 TYR 138 0.840 14.058 52.096 3.935 -99.200 -91.000 PHE 143 1.000 22.046 52.916 12.209 -99.200 -91.000 TYR 163 0.840 -3.092 57.652 34.073 -99.200 -91.000 PHE 193 1.000 -1.349 61.965 27.646 -99.200 -91.000 HIS 200 0.900 19.895 68.398 36.121 -99.200 -91.000 TYR 201 0.840 20.036 70.930 31.753 -99.200 -91.000 TYR 207 0.840 10.671 74.436 24.502 -99.200 -91.000 HIS 214 0.900 4.568 65.726 41.724 -99.200 -91.000 TYR 238 0.840 17.711 70.147 40.365 -99.200 -91.000 TRP 240 1.040 16.917 78.175 46.566 -99.200 -91.000 TRP6 240 1.020 14.997 77.365 45.438 -99.200 -91.000