============================================================================= 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 5 1.000 41.147 -36.945 4.269 -99.200 -91.000 HIS 8 0.900 48.052 -33.117 10.309 -99.200 -91.000 TYR 11 0.840 45.816 -34.590 4.648 -99.200 -91.000 PHE 15 1.000 48.074 -31.199 0.113 -99.200 -91.000 PHE 18 1.000 48.277 -33.117 -5.238 -99.200 -91.000 HIS 21 0.900 57.498 -35.871 -6.608 -99.200 -91.000 HIS 25 0.900 48.932 -23.835 -3.876 -99.200 -91.000 PHE 31 1.000 40.628 -19.572 -13.390 -99.200 -91.000 TYR 74 0.840 36.844 -3.044 -9.143 -99.200 -91.000 TYR 93 0.840 44.529 -16.484 4.731 -99.200 -91.000 PHE 108 1.000 44.132 -10.387 4.565 -99.200 -91.000 TRP 110 1.040 42.610 -15.489 8.767 -99.200 -91.000 TRP6 110 1.020 43.694 -13.431 9.192 -99.200 -91.000 HIS 111 0.900 34.744 -14.781 10.748 -99.200 -91.000 TYR 118 0.840 30.066 -17.217 7.177 -99.200 -91.000 TRP 131 1.040 29.743 -12.067 2.119 -99.200 -91.000 TRP6 131 1.020 31.683 -11.394 3.290 -99.200 -91.000 PHE 133 1.000 35.902 -14.021 -6.645 -99.200 -91.000 HIS 135 0.900 38.274 -17.084 -2.587 -99.200 -91.000 TYR 141 0.840 37.715 -32.217 -3.494 -99.200 -91.000 TYR 142 0.840 38.367 -31.790 2.215 -99.200 -91.000 PHE 152 1.000 24.166 -19.339 3.695 -99.200 -91.000 PHE 153 1.000 28.668 -20.306 1.840 -99.200 -91.000 HIS 154 0.900 22.746 -17.754 -6.708 -99.200 -91.000 TRP 174 1.040 42.791 -36.359 -8.868 -99.200 -91.000 TRP6 174 1.020 43.809 -37.537 -7.096 -99.200 -91.000 TRP 178 1.040 38.519 -40.215 -6.149 -99.200 -91.000 TRP6 178 1.020 38.223 -37.878 -6.383 -99.200 -91.000 TYR 181 0.840 40.616 -49.333 -9.530 -99.200 -91.000 PHE 185 1.000 41.215 -46.295 -3.751 -99.200 -91.000 TYR 193 0.840 36.096 -41.218 -3.237 -99.200 -91.000 TYR 210 0.840 27.236 -24.440 -14.750 -99.200 -91.000 TYR 213 0.840 36.113 -20.387 -18.273 -99.200 -91.000 PHE 225 1.000 53.327 -47.151 -13.486 -99.200 -91.000 TRP 236 1.040 51.753 -47.046 -5.600 -99.200 -91.000 TRP6 236 1.020 49.893 -47.874 -6.806 -99.200 -91.000 PHE 238 1.000 47.422 -36.500 -2.434 -99.200 -91.000 PHE 244 1.000 46.649 -49.232 -2.698 -99.200 -91.000 PHE 265 1.000 42.424 -44.822 -14.310 -99.200 -91.000 PHE 275 1.000 45.817 -39.651 -11.421 -99.200 -91.000 PHE 281 1.000 40.938 -23.375 -12.475 -99.200 -91.000