============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 2 1.000 41.191 -5.716 -42.652 -99.200 -91.000 TYR 8 0.840 43.438 -7.740 -37.652 -99.200 -91.000 TYR 13 0.840 48.846 -17.392 -50.743 -99.200 -91.000 TRP 23 1.040 66.165 -7.809 -37.179 -99.200 -91.000 TRP6 23 1.020 65.448 -10.010 -37.627 -99.200 -91.000 TYR 36 0.840 62.392 -14.487 -35.495 -99.200 -91.000 TRP 48 1.040 52.615 -5.677 -37.166 -99.200 -91.000 TRP6 48 1.020 54.155 -3.923 -37.419 -99.200 -91.000 TYR 62 0.840 41.965 0.077 -42.590 -99.200 -91.000 HIS 68 0.900 58.030 -3.519 -27.215 -99.200 -91.000 TYR 71 0.840 58.095 5.149 -32.395 -99.200 -91.000 PHE 72 1.000 51.685 6.249 -36.234 -99.200 -91.000 HIS 80 0.900 65.357 1.418 -48.616 -99.200 -91.000 TRP 96 1.040 50.761 1.169 -44.661 -99.200 -91.000 TRP6 96 1.020 52.361 0.354 -46.199 -99.200 -91.000 HIS 104 0.900 32.798 -12.675 -56.929 -99.200 -91.000 TYR 106 0.840 36.765 -8.759 -46.178 -99.200 -91.000 PHE 109 1.000 41.785 -9.132 -46.714 -99.200 -91.000 TYR 126 0.840 58.131 -13.857 -55.948 -99.200 -91.000 HIS 129 0.900 65.700 -18.968 -43.228 -99.200 -91.000 TRP 147 1.040 51.199 -9.059 -47.042 -99.200 -91.000 TRP6 147 1.020 53.147 -9.531 -45.805 -99.200 -91.000 TYR 148 0.840 46.696 -16.573 -45.433 -99.200 -91.000 PHE 149 1.000 45.448 -7.939 -42.450 -99.200 -91.000