============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 3 1.000 -19.282 -1.764 5.614 -99.200 -91.000 TYR 11 0.840 -34.817 -1.661 7.897 -99.200 -91.000 TYR 12 0.840 -32.904 1.221 1.370 -99.200 -91.000 PHE 23 1.000 -14.969 -10.241 -9.255 -99.200 -91.000 TYR 38 0.840 -31.709 7.034 -1.069 -99.200 -91.000 PHE 42 1.000 -28.038 -5.387 -4.229 -99.200 -91.000 HIS 72 0.900 -17.896 19.306 -6.379 -99.200 -91.000 HIS 79 0.900 -29.832 7.204 2.670 -99.200 -91.000 TYR 82 0.840 -29.170 -1.711 4.947 -99.200 -91.000 PHE 101 1.000 -20.017 4.580 -22.689 -99.200 -91.000 PHE 103 1.000 -25.841 13.634 -24.168 -99.200 -91.000 PHE 118 1.000 -21.759 16.316 -21.467 -99.200 -91.000 TYR 127 0.840 -9.833 23.028 -7.254 -99.200 -91.000 TYR 128 0.840 -15.163 17.486 -2.759 -99.200 -91.000 HIS 130 0.900 -6.794 14.951 -8.897 -99.200 -91.000 HIS 136 0.900 -12.896 7.647 -10.420 -99.200 -91.000 PHE 137 1.000 -4.810 6.021 -8.676 -99.200 -91.000 PHE 161 1.000 -15.645 8.433 -6.267 -99.200 -91.000 HIS 165 0.900 -5.997 2.798 -4.000 -99.200 -91.000 PHE 169 1.000 2.944 8.140 3.567 -99.200 -91.000 PHE 173 1.000 5.651 -0.060 -6.697 -99.200 -91.000 PHE 177 1.000 -2.975 -1.996 -16.141 -99.200 -91.000 PHE 182 1.000 -11.394 5.702 -21.642 -99.200 -91.000 TYR 190 0.840 2.080 -3.796 -14.272 -99.200 -91.000 TRP 200 1.040 -3.030 9.102 -20.135 -99.200 -91.000 TRP6 200 1.020 -1.080 9.467 -21.426 -99.200 -91.000 TYR 207 0.840 -7.856 12.010 -29.782 -99.200 -91.000 PHE 216 1.000 -2.859 7.456 -26.024 -99.200 -91.000 TYR 233 0.840 -1.884 12.302 -28.471 -99.200 -91.000 PHE 235 1.000 -4.466 16.628 -30.946 -99.200 -91.000 TYR 239 0.840 -11.885 10.540 -36.827 -99.200 -91.000 PHE 240 1.000 -9.097 15.606 -32.638 -99.200 -91.000 PHE 250 1.000 -7.972 20.828 -21.111 -99.200 -91.000 HIS 271 0.900 -5.218 25.149 -22.020 -99.200 -91.000 TRP 273 1.040 -10.777 24.664 -25.342 -99.200 -91.000 TRP6 273 1.020 -11.334 22.463 -24.725 -99.200 -91.000 PHE 278 1.000 -2.153 -9.232 -17.387 -99.200 -91.000