============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 12 0.840 -26.793 66.448 21.534 -99.200 -91.000 TYR 14 0.840 -19.282 70.115 15.413 -99.200 -91.000 TYR 17 0.840 -16.562 61.913 8.464 -99.200 -91.000 PHE 20 1.000 -6.534 68.048 4.143 -99.200 -91.000 TYR 25 0.840 -5.823 62.957 7.864 -99.200 -91.000 TYR 31 0.840 -24.627 70.053 18.686 -99.200 -91.000 TRP 45 1.040 -10.748 70.364 8.102 -99.200 -91.000 TRP6 45 1.020 -9.497 68.391 8.454 -99.200 -91.000 PHE 50 1.000 -17.988 77.021 7.907 -99.200 -91.000 PHE 53 1.000 -22.463 72.198 13.368 -99.200 -91.000 TYR 58 0.840 -35.401 74.764 12.497 -99.200 -91.000 HIS 61 0.900 -30.229 69.414 19.393 -99.200 -91.000 HIS 72 0.900 -5.759 74.430 16.110 -99.200 -91.000 HIS 74 0.900 -3.505 74.984 12.213 -99.200 -91.000 TYR 83 0.840 -22.682 79.708 8.761 -99.200 -91.000 PHE 84 1.000 -20.689 78.487 13.681 -99.200 -91.000 TYR 92 0.840 -16.992 84.941 23.673 -99.200 -91.000 TYR 111 0.840 -17.628 90.232 22.297 -99.200 -91.000 PHE 113 1.000 -10.723 83.006 25.791 -99.200 -91.000 PHE 119 1.000 -16.254 81.233 27.400 -99.200 -91.000 PHE 126 1.000 -18.663 76.794 27.746 -99.200 -91.000 TYR 129 0.840 -5.101 74.141 31.428 -99.200 -91.000 TYR 130 0.840 -1.391 78.297 26.077 -99.200 -91.000 HIS 135 0.900 -2.388 71.060 15.702 -99.200 -91.000 TRP 143 1.040 -13.327 70.300 33.342 -99.200 -91.000 TRP6 143 1.020 -13.355 67.946 33.112 -99.200 -91.000 PHE 144 1.000 -18.207 71.468 27.329 -99.200 -91.000 TYR 166 0.840 0.304 72.164 9.437 -99.200 -91.000 TYR 171 0.840 6.245 76.422 19.152 -99.200 -91.000 TRP 175 1.040 1.630 67.658 21.407 -99.200 -91.000 TRP6 175 1.020 1.571 67.533 19.044 -99.200 -91.000 HIS 180 0.900 3.530 64.049 30.589 -99.200 -91.000 PHE 186 1.000 -8.985 70.263 32.530 -99.200 -91.000 TYR 191 0.840 -17.793 59.464 27.512 -99.200 -91.000 HIS 196 0.900 -8.006 66.618 12.709 -99.200 -91.000 TRP 199 1.040 -15.267 60.758 19.400 -99.200 -91.000 TRP6 199 1.020 -16.174 60.291 21.536 -99.200 -91.000 HIS 207 0.900 -1.144 56.193 19.482 -99.200 -91.000 TYR 215 0.840 8.964 64.988 14.781 -99.200 -91.000