============================================================================= 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 -3.908 -21.366 -27.361 -99.200 -91.000 TYR 7 0.840 -15.526 -12.219 -32.707 -99.200 -91.000 PHE 8 1.000 -16.708 -11.887 -24.109 -99.200 -91.000 HIS 9 0.900 -21.558 -9.888 -30.160 -99.200 -91.000 PHE 22 1.000 -23.141 -3.917 -31.482 -99.200 -91.000 TYR 27 0.840 -11.403 -9.790 -24.335 -99.200 -91.000 PHE 33 1.000 -9.634 -10.904 -32.202 -99.200 -91.000 PHE 36 1.000 -19.300 -0.932 -34.823 -99.200 -91.000 TRP 51 1.040 -2.196 -10.964 -32.026 -99.200 -91.000 TRP6 51 1.020 -4.441 -11.603 -32.413 -99.200 -91.000 TYR 59 0.840 -10.260 -9.561 -40.159 -99.200 -91.000 TRP 60 1.040 -8.784 -4.495 -40.708 -99.200 -91.000 TRP6 60 1.020 -9.081 -4.929 -38.399 -99.200 -91.000 TYR 84 0.840 -40.556 -12.234 -27.706 -99.200 -91.000 TYR 85 0.840 -38.967 -11.104 -20.817 -99.200 -91.000 HIS 93 0.900 -36.018 -2.786 -20.173 -99.200 -91.000 TYR 99 0.840 -20.384 -14.859 -32.329 -99.200 -91.000 TYR 113 0.840 -18.015 -22.030 -24.776 -99.200 -91.000 HIS 114 0.900 -25.895 -17.720 -30.467 -99.200 -91.000 HIS 116 0.900 -28.669 -13.716 -27.987 -99.200 -91.000 TYR 118 0.840 -34.781 -7.731 -21.827 -99.200 -91.000 TYR 123 0.840 -34.706 -14.255 -24.456 -99.200 -91.000 TRP 133 1.040 -31.920 -23.371 -30.251 -99.200 -91.000 TRP6 133 1.020 -30.225 -21.725 -30.357 -99.200 -91.000 TRP 147 1.040 -33.420 -17.779 -33.004 -99.200 -91.000 TRP6 147 1.020 -31.820 -17.292 -31.334 -99.200 -91.000 TYR 159 0.840 -18.521 -18.367 -36.479 -99.200 -91.000 TRP 167 1.040 -11.234 -17.085 -40.650 -99.200 -91.000 TRP6 167 1.020 -10.115 -15.224 -41.587 -99.200 -91.000 TYR 171 0.840 -8.112 -14.174 -35.940 -99.200 -91.000 HIS 188 0.900 6.197 -9.322 -3.766 -99.200 -91.000 HIS 191 0.900 4.901 -9.652 9.255 -99.200 -91.000 HIS 192 0.900 1.542 -5.698 4.175 -99.200 -91.000 HIS 197 0.900 -2.966 -8.832 20.773 -99.200 -91.000 TRP 204 1.040 1.910 -8.718 -2.821 -99.200 -91.000 TRP6 204 1.020 0.577 -6.995 -3.734 -99.200 -91.000 PHE 208 1.000 -1.219 -13.526 -12.910 -99.200 -91.000 TYR 209 0.840 -1.778 -13.742 -22.053 -99.200 -91.000 TRP 217 1.040 -1.680 -16.983 1.980 -99.200 -91.000 TRP6 217 1.020 0.576 -16.953 2.687 -99.200 -91.000 PHE 241 1.000 -4.997 -10.638 -17.372 -99.200 -91.000 TRP 244 1.040 -3.714 -8.316 -3.117 -99.200 -91.000 TRP6 244 1.020 -5.172 -8.666 -1.283 -99.200 -91.000 TYR 257 0.840 -0.631 -19.199 8.890 -99.200 -91.000 HIS 260 0.900 1.463 -24.668 -0.939 -99.200 -91.000 HIS 263 0.900 0.650 -18.241 -15.255 -99.200 -91.000 TRP 274 1.040 7.747 -12.031 6.015 -99.200 -91.000 TRP6 274 1.020 7.992 -11.866 8.358 -99.200 -91.000