============================================================================= 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. HIS 20 0.900 -32.411 35.529 -28.550 -99.200 -91.000 PHE 22 1.000 -39.322 30.453 -24.120 -99.200 -91.000 PHE 33 1.000 -63.433 10.100 -20.473 -99.200 -91.000 PHE 51 1.000 -39.303 31.993 -29.175 -99.200 -91.000 TYR 53 0.840 -47.163 31.781 -28.134 -99.200 -91.000 PHE 60 1.000 -47.077 26.815 -24.234 -99.200 -91.000 PHE 64 1.000 -56.967 17.767 -21.467 -99.200 -91.000 TYR 67 0.840 -55.920 6.913 -27.394 -99.200 -91.000 TYR 74 0.840 -47.963 4.704 -22.092 -99.200 -91.000 PHE 75 1.000 -50.685 9.218 -24.351 -99.200 -91.000 PHE 79 1.000 -52.827 11.752 -15.916 -99.200 -91.000 TYR 83 0.840 -48.615 11.719 -20.147 -99.200 -91.000 TRP 85 1.040 -44.974 15.484 -23.373 -99.200 -91.000 TRP6 85 1.020 -43.620 17.232 -24.256 -99.200 -91.000 TYR 91 0.840 -39.021 23.444 -36.206 -99.200 -91.000 TYR 110 0.840 -55.357 16.004 -16.655 -99.200 -91.000 PHE 116 1.000 -39.553 24.785 -27.310 -99.200 -91.000 PHE 121 1.000 -35.516 27.083 -34.488 -99.200 -91.000 TRP 135 1.040 -47.620 24.054 -35.598 -99.200 -91.000 TRP6 135 1.020 -45.623 23.038 -36.389 -99.200 -91.000 TYR 143 0.840 -42.197 3.432 -32.642 -99.200 -91.000 TYR 155 0.840 -46.544 16.538 -35.936 -99.200 -91.000 HIS 164 0.900 -47.583 23.962 -46.519 -99.200 -91.000 TYR 165 0.840 -39.295 26.017 -40.690 -99.200 -91.000 PHE 169 1.000 -43.231 18.557 -33.188 -99.200 -91.000 TYR 173 0.840 -46.222 10.672 -26.005 -99.200 -91.000 TYR 184 0.840 -47.846 2.003 -36.298 -99.200 -91.000 HIS 185 0.900 -52.299 4.302 -30.614 -99.200 -91.000 HIS 189 0.900 -51.992 15.082 -32.525 -99.200 -91.000 HIS 190 0.900 -57.395 22.628 -36.414 -99.200 -91.000 HIS 196 0.900 -52.344 37.026 -32.601 -99.200 -91.000 TYR 200 0.840 -48.701 35.842 -32.062 -99.200 -91.000 HIS 206 0.900 -60.180 23.682 -29.591 -99.200 -91.000 HIS 208 0.900 -61.464 17.367 -32.189 -99.200 -91.000 HIS 212 0.900 -56.370 7.891 -37.451 -99.200 -91.000