============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TRP 7 1.040 6.396 -12.117 12.055 -99.200 -91.000 TRP6 7 1.020 6.915 -14.177 10.994 -99.200 -91.000 TRP 26 1.040 7.069 9.251 3.169 -99.200 -91.000 TRP6 26 1.020 7.769 8.521 1.028 -99.200 -91.000 PHE 28 1.000 13.592 5.898 7.951 -99.200 -91.000 TRP 38 1.040 14.974 -9.831 -0.317 -99.200 -91.000 TRP6 38 1.020 14.309 -10.284 -2.536 -99.200 -91.000 PHE 39 1.000 14.562 -14.089 7.390 -99.200 -91.000 HIS 43 0.900 14.916 -14.040 -2.063 -99.200 -91.000 PHE 72 1.000 4.250 -1.050 0.538 -99.200 -91.000 TRP 74 1.040 8.486 5.869 -7.748 -99.200 -91.000 TRP6 74 1.020 10.603 5.016 -7.121 -99.200 -91.000 TYR 83 0.840 18.193 1.661 -6.452 -99.200 -91.000 TYR 88 0.840 19.833 6.708 -3.224 -99.200 -91.000 TYR 90 0.840 17.262 9.122 6.240 -99.200 -91.000 HIS 105 0.900 22.081 4.575 -5.837 -99.200 -91.000 HIS 114 0.900 -0.352 -1.779 -2.815 -99.200 -91.000 TRP 127 1.040 -2.208 -10.875 5.256 -99.200 -91.000 TRP6 127 1.020 -0.019 -10.021 5.018 -99.200 -91.000 TRP 143 1.040 2.846 6.630 19.844 -99.200 -91.000 TRP6 143 1.020 3.689 5.161 18.217 -99.200 -91.000 TYR 146 0.840 6.258 3.322 24.951 -99.200 -91.000 HIS 161 0.900 5.833 8.186 13.095 -99.200 -91.000 TYR 168 0.840 -0.606 -11.924 17.374 -99.200 -91.000 TYR 175 0.840 2.616 -7.181 24.604 -99.200 -91.000 TRP 176 1.040 -1.902 -4.436 17.637 -99.200 -91.000 TRP6 176 1.020 -1.818 -6.169 16.035 -99.200 -91.000 TRP 182 1.040 10.283 9.088 15.841 -99.200 -91.000 TRP6 182 1.020 8.422 9.437 17.255 -99.200 -91.000 TRP 186 1.040 10.255 7.262 21.470 -99.200 -91.000 TRP6 186 1.020 8.933 5.486 20.643 -99.200 -91.000 TYR 191 0.840 11.461 -3.051 17.965 -99.200 -91.000