============================================================================= 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 17 1.000 35.710 27.705 5.322 -99.200 -91.000 TRP 27 1.040 25.136 26.974 21.662 -99.200 -91.000 TRP6 27 1.020 23.247 25.513 21.670 -99.200 -91.000 HIS 30 0.900 21.060 34.340 26.431 -99.200 -91.000 HIS 41 0.900 23.533 29.888 11.615 -99.200 -91.000 HIS 42 0.900 22.793 25.239 11.110 -99.200 -91.000 TYR 52 0.840 21.741 34.898 -3.650 -99.200 -91.000 TYR 55 0.840 28.243 20.642 -2.871 -99.200 -91.000 PHE 64 1.000 25.340 26.455 7.230 -99.200 -91.000 PHE 72 1.000 27.128 40.212 -8.204 -99.200 -91.000 PHE 85 1.000 21.394 34.633 10.013 -99.200 -91.000 HIS 87 0.900 15.973 42.802 6.335 -99.200 -91.000 HIS 88 0.900 14.500 34.863 12.320 -99.200 -91.000 TRP 90 1.040 17.208 37.054 15.231 -99.200 -91.000 TRP6 90 1.020 18.207 35.020 14.569 -99.200 -91.000 TYR 99 0.840 26.286 38.658 19.692 -99.200 -91.000 PHE 102 1.000 28.858 38.120 25.390 -99.200 -91.000 TYR 113 0.840 35.835 46.630 21.942 -99.200 -91.000 HIS 119 0.900 28.121 52.351 25.951 -99.200 -91.000 TYR 125 0.840 21.607 46.887 19.029 -99.200 -91.000 TRP 129 1.040 24.925 46.442 15.008 -99.200 -91.000 TRP6 129 1.020 26.463 44.764 14.317 -99.200 -91.000 HIS 139 0.900 41.402 33.103 -1.305 -99.200 -91.000 HIS 147 0.900 31.960 11.517 -5.272 -99.200 -91.000 TYR 154 0.840 31.896 16.503 -6.502 -99.200 -91.000 TYR 156 0.840 34.964 22.094 -3.193 -99.200 -91.000 TYR 157 0.840 40.137 17.688 1.154 -99.200 -91.000 HIS 180 0.900 43.324 42.576 -4.951 -99.200 -91.000 TYR 183 0.840 36.822 44.679 -4.997 -99.200 -91.000 TYR 214 0.840 40.082 45.144 -0.964 -99.200 -91.000 PHE 224 1.000 31.346 45.474 10.898 -99.200 -91.000 TYR 233 0.840 42.316 27.124 10.270 -99.200 -91.000 PHE 234 1.000 34.823 24.273 9.010 -99.200 -91.000