============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 27 1.000 2.957 -11.671 -24.207 -99.200 -91.000 PHE 29 1.000 5.267 -15.020 -19.400 -99.200 -91.000 HIS 30 0.900 9.596 -8.312 -17.990 -99.200 -91.000 TYR 32 0.840 1.192 -7.500 -20.808 -99.200 -91.000 HIS 35 0.900 -6.517 -14.338 -16.269 -99.200 -91.000 TRP 36 1.040 -2.390 -22.188 -16.730 -99.200 -91.000 TRP6 36 1.020 -1.765 -23.315 -18.712 -99.200 -91.000 TRP 47 1.040 -10.030 -17.510 -13.679 -99.200 -91.000 TRP6 47 1.020 -9.828 -17.505 -11.325 -99.200 -91.000 TYR 59 0.840 -5.051 -13.078 -7.067 -99.200 -91.000 HIS 60 0.900 -4.164 -21.392 -7.389 -99.200 -91.000 TRP 65 1.040 -13.513 -29.095 -5.170 -99.200 -91.000 TRP6 65 1.020 -14.922 -28.029 -3.611 -99.200 -91.000 TYR 80 0.840 6.591 -23.962 -16.368 -99.200 -91.000 PHE 83 1.000 -4.732 -30.262 -13.714 -99.200 -91.000 PHE 93 1.000 -6.929 -27.973 -18.274 -99.200 -91.000 PHE 94 1.000 -9.066 -22.909 -25.072 -99.200 -91.000 TYR 103 0.840 2.795 -2.759 -18.574 -99.200 -91.000 TYR 105 0.840 -5.164 -1.500 -18.315 -99.200 -91.000 HIS 106 0.900 -9.479 -5.499 -13.299 -99.200 -91.000 TYR 107 0.840 -9.347 -6.484 -22.010 -99.200 -91.000 TRP 111 1.040 -8.301 -15.644 -25.024 -99.200 -91.000 TRP6 111 1.020 -9.527 -16.979 -23.518 -99.200 -91.000 PHE 130 1.000 -24.457 -53.595 -23.925 -99.200 -91.000 TYR 150 0.840 -15.713 -46.118 -28.566 -99.200 -91.000 PHE 151 1.000 -9.036 -44.033 -23.704 -99.200 -91.000 TRP 159 1.040 -26.753 -49.324 -39.154 -99.200 -91.000 TRP6 159 1.020 -28.030 -50.699 -37.733 -99.200 -91.000 HIS 169 0.900 -30.730 -39.742 -38.960 -99.200 -91.000 PHE 171 1.000 -27.795 -39.426 -33.296 -99.200 -91.000 TYR 181 0.840 -14.007 -41.263 -25.827 -99.200 -91.000 TYR 199 0.840 -33.746 -53.556 -40.899 -99.200 -91.000 HIS 205 0.900 -11.811 -49.467 -30.151 -99.200 -91.000