============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 8 0.900 -10.029 62.265 -6.538 -99.200 -91.000 PHE 10 1.000 -10.814 53.126 -8.680 -99.200 -91.000 TRP 35 1.040 2.976 63.395 -14.700 -99.200 -91.000 TRP6 35 1.020 1.205 62.873 -13.227 -99.200 -91.000 TYR 36 0.840 7.242 56.181 -15.533 -99.200 -91.000 TYR 49 0.840 12.160 63.928 -20.690 -99.200 -91.000 TYR 53 0.840 11.422 69.630 -21.017 -99.200 -91.000 TYR 55 0.840 11.503 58.589 -24.170 -99.200 -91.000 PHE 62 1.000 -1.335 60.797 -23.762 -99.200 -91.000 PHE 71 1.000 5.753 68.366 -9.623 -99.200 -91.000 PHE 73 1.000 -0.802 62.381 -18.051 -99.200 -91.000 TYR 86 0.840 -3.066 57.785 -17.968 -99.200 -91.000 TYR 87 0.840 1.017 53.415 -11.377 -99.200 -91.000 HIS 91 0.900 12.951 63.145 -13.310 -99.200 -91.000 TYR 92 0.840 14.991 67.252 -5.694 -99.200 -91.000 TRP 96 1.040 15.714 56.486 -8.565 -99.200 -91.000 TRP6 96 1.020 16.616 58.684 -8.368 -99.200 -91.000 PHE 98 1.000 7.720 54.303 -10.074 -99.200 -91.000 PHE 116 1.000 -22.272 34.698 -27.462 -99.200 -91.000 PHE 118 1.000 -19.097 29.332 -24.561 -99.200 -91.000 PHE 139 1.000 -20.973 43.430 -19.017 -99.200 -91.000 TYR 140 0.840 -20.259 52.114 -19.449 -99.200 -91.000 TRP 148 1.040 -23.945 30.202 -13.140 -99.200 -91.000 TRP6 148 1.020 -23.736 29.124 -15.255 -99.200 -91.000 TYR 173 0.840 -16.500 47.747 -17.427 -99.200 -91.000 TYR 186 0.840 -23.155 18.564 -17.109 -99.200 -91.000 HIS 189 0.900 -29.536 18.443 -10.638 -99.200 -91.000 TYR 192 0.840 -26.707 21.652 -16.011 -99.200 -91.000 HIS 198 0.900 -25.862 45.888 -18.794 -99.200 -91.000 PHE 209 1.000 -25.602 23.231 -21.027 -99.200 -91.000