============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 12 1.000 13.639 -8.009 12.495 -99.200 -91.000 PHE 19 1.000 12.298 -15.179 10.780 -99.200 -91.000 TYR 22 0.840 3.407 -19.073 8.294 -99.200 -91.000 PHE 33 1.000 9.801 -9.016 16.486 -99.200 -91.000 PHE 48 1.000 6.993 -8.264 -9.219 -99.200 -91.000 PHE 56 1.000 14.247 -19.172 -15.226 -99.200 -91.000 PHE 67 1.000 18.663 -11.670 -18.077 -99.200 -91.000 TRP 69 1.040 26.129 -2.290 -18.034 -99.200 -91.000 TRP6 69 1.020 28.363 -1.560 -18.019 -99.200 -91.000 TRP 79 1.040 22.308 -3.792 -9.844 -99.200 -91.000 TRP6 79 1.020 20.887 -2.023 -9.251 -99.200 -91.000 HIS 83 0.900 24.379 -8.997 -13.472 -99.200 -91.000 TRP 88 1.040 16.780 -10.451 -12.493 -99.200 -91.000 TRP6 88 1.020 15.064 -11.966 -13.003 -99.200 -91.000 PHE 91 1.000 26.103 -10.665 -7.862 -99.200 -91.000 TRP 95 1.040 20.979 -3.862 -15.663 -99.200 -91.000 TRP6 95 1.020 21.201 -5.387 -17.445 -99.200 -91.000 TYR 112 0.840 3.107 -15.309 -15.611 -99.200 -91.000 PHE 116 1.000 3.341 -15.841 -10.113 -99.200 -91.000 TYR 118 0.840 4.044 -10.404 -5.439 -99.200 -91.000 PHE 123 1.000 4.095 -4.877 -12.308 -99.200 -91.000 TRP 135 1.040 10.158 -4.429 -9.142 -99.200 -91.000 TRP6 135 1.020 9.832 -4.039 -11.436 -99.200 -91.000 PHE 150 1.000 5.211 -15.294 -5.100 -99.200 -91.000 HIS 157 0.900 7.489 -27.422 -8.098 -99.200 -91.000 TYR 174 0.840 22.720 -22.580 -2.070 -99.200 -91.000 TYR 185 0.840 17.442 -23.151 -1.709 -99.200 -91.000 PHE 192 1.000 16.249 5.371 1.023 -99.200 -91.000 TRP 202 1.040 10.224 -6.628 1.325 -99.200 -91.000 TRP6 202 1.020 8.310 -7.746 2.100 -99.200 -91.000 PHE 203 1.000 17.620 -13.334 3.134 -99.200 -91.000 PHE 206 1.000 11.411 -20.592 -1.581 -99.200 -91.000 HIS 213 0.900 9.938 -30.321 7.351 -99.200 -91.000 TYR 215 0.840 11.363 -25.978 8.093 -99.200 -91.000 PHE 217 1.000 14.100 -16.916 4.931 -99.200 -91.000