============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. HIS 3 0.900 22.117 -21.175 -26.992 -99.200 -91.000 TYR 7 0.840 10.257 -12.618 -32.747 -99.200 -91.000 PHE 8 1.000 9.256 -12.223 -24.147 -99.200 -91.000 TYR 9 0.840 3.928 -10.331 -31.493 -99.200 -91.000 PHE 22 1.000 2.077 -5.441 -31.919 -99.200 -91.000 TYR 27 0.840 14.194 -10.046 -24.664 -99.200 -91.000 PHE 33 1.000 16.156 -11.248 -32.389 -99.200 -91.000 PHE 36 1.000 5.979 -1.939 -35.481 -99.200 -91.000 TRP 51 1.040 23.585 -10.942 -32.199 -99.200 -91.000 TRP6 51 1.020 21.410 -11.745 -32.676 -99.200 -91.000 TYR 59 0.840 15.412 -10.102 -40.236 -99.200 -91.000 TRP 60 1.040 16.659 -4.936 -41.145 -99.200 -91.000 TRP6 60 1.020 16.427 -5.302 -38.827 -99.200 -91.000 PHE 67 1.000 7.356 -7.404 -35.452 -99.200 -91.000 TYR 74 0.840 -2.065 -8.939 -30.837 -99.200 -91.000 TYR 84 0.840 -14.415 -12.367 -27.362 -99.200 -91.000 TYR 85 0.840 -12.719 -11.456 -20.254 -99.200 -91.000 HIS 93 0.900 -9.903 -3.561 -19.993 -99.200 -91.000 TYR 99 0.840 5.542 -15.464 -31.703 -99.200 -91.000 HIS 113 0.900 7.457 -22.767 -24.410 -99.200 -91.000 TYR 118 0.840 -8.677 -8.519 -21.736 -99.200 -91.000 TYR 123 0.840 -8.542 -14.644 -23.981 -99.200 -91.000 TRP 133 1.040 -5.823 -23.495 -30.128 -99.200 -91.000 TRP6 133 1.020 -4.011 -21.974 -30.182 -99.200 -91.000 TRP 147 1.040 -6.846 -17.478 -32.441 -99.200 -91.000 TRP6 147 1.020 -5.115 -17.252 -30.837 -99.200 -91.000 TYR 159 0.840 7.429 -18.768 -36.157 -99.200 -91.000 TRP 167 1.040 14.560 -17.095 -40.322 -99.200 -91.000 TRP6 167 1.020 15.828 -15.312 -41.237 -99.200 -91.000 TYR 171 0.840 17.621 -14.453 -35.841 -99.200 -91.000 HIS 188 0.900 31.740 -9.025 -3.361 -99.200 -91.000 HIS 191 0.900 30.525 -9.899 9.707 -99.200 -91.000 HIS 192 0.900 27.721 -4.695 5.241 -99.200 -91.000 HIS 197 0.900 21.762 -12.835 19.308 -99.200 -91.000 TRP 204 1.040 27.328 -8.511 -2.758 -99.200 -91.000 TRP6 204 1.020 26.012 -6.855 -3.819 -99.200 -91.000 PHE 208 1.000 24.302 -13.557 -12.733 -99.200 -91.000 TYR 209 0.840 23.855 -13.744 -22.030 -99.200 -91.000 TRP 217 1.040 24.128 -17.002 2.203 -99.200 -91.000 TRP6 217 1.020 26.388 -17.070 2.961 -99.200 -91.000 PHE 241 1.000 20.533 -10.584 -17.223 -99.200 -91.000 TRP 244 1.040 21.863 -8.260 -2.886 -99.200 -91.000 TRP6 244 1.020 20.346 -8.555 -1.096 -99.200 -91.000 TYR 257 0.840 25.067 -19.375 8.861 -99.200 -91.000 HIS 260 0.900 27.098 -24.600 -0.957 -99.200 -91.000 HIS 263 0.900 26.022 -18.237 -15.173 -99.200 -91.000 TRP 274 1.040 33.489 -11.986 6.437 -99.200 -91.000 TRP6 274 1.020 33.743 -11.913 8.789 -99.200 -91.000