============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. TYR 5 0.840 14.339 13.795 0.573 -99.200 -91.000 TYR 10 0.840 5.673 5.329 8.541 -99.200 -91.000 PHE 24 1.000 2.788 13.669 5.978 -99.200 -91.000 PHE 29 1.000 6.301 14.939 -4.976 -99.200 -91.000 HIS 34 0.900 4.506 25.122 -8.627 -99.200 -91.000 PHE 38 1.000 10.097 20.360 -15.847 -99.200 -91.000 TYR 49 0.840 -5.423 23.489 -17.782 -99.200 -91.000 TRP 53 1.040 -2.530 16.161 -6.827 -99.200 -91.000 TRP6 53 1.020 -0.456 14.986 -6.473 -99.200 -91.000 PHE 65 1.000 2.430 -0.555 1.142 -99.200 -91.000 TRP 84 1.040 13.773 6.313 -16.148 -99.200 -91.000 TRP6 84 1.020 14.693 6.854 -14.029 -99.200 -91.000 HIS 100 0.900 8.633 -7.055 1.423 -99.200 -91.000 TYR 105 0.840 6.518 -6.061 9.569 -99.200 -91.000 PHE 109 1.000 -3.972 2.240 1.445 -99.200 -91.000 TYR 113 0.840 -4.983 5.517 5.556 -99.200 -91.000 PHE 117 1.000 0.379 4.128 2.860 -99.200 -91.000 HIS 118 0.900 8.515 3.654 6.469 -99.200 -91.000 PHE 119 1.000 6.960 3.335 -0.573 -99.200 -91.000 TRP 122 1.040 23.312 4.318 -2.750 -99.200 -91.000 TRP6 122 1.020 24.504 4.160 -0.712 -99.200 -91.000 PHE 124 1.000 19.855 13.380 -1.368 -99.200 -91.000 TRP 127 1.040 21.114 1.643 2.265 -99.200 -91.000 TRP6 127 1.020 19.654 1.034 0.500 -99.200 -91.000 PHE 145 1.000 1.575 10.716 -13.473 -99.200 -91.000 HIS 147 0.900 -2.123 1.302 -14.249 -99.200 -91.000 PHE 154 1.000 -4.791 2.026 -4.468 -99.200 -91.000 TRP 155 1.040 3.303 -3.145 -4.214 -99.200 -91.000 TRP6 155 1.020 5.472 -2.894 -5.175 -99.200 -91.000 TYR 163 0.840 13.535 6.890 -8.275 -99.200 -91.000 TYR 170 0.840 4.020 11.444 -9.727 -99.200 -91.000 PHE 182 1.000 18.490 -2.532 -12.896 -99.200 -91.000 PHE 185 1.000 14.078 1.229 -6.763 -99.200 -91.000 TRP 192 1.040 27.533 0.045 -20.881 -99.200 -91.000 TRP6 192 1.020 27.297 -0.137 -23.226 -99.200 -91.000 TYR 193 0.840 27.740 -7.571 -19.688 -99.200 -91.000 TYR 203 0.840 21.260 -18.652 -21.283 -99.200 -91.000 PHE 233 1.000 8.394 -3.470 -40.016 -99.200 -91.000 HIS 240 0.900 8.871 0.445 -22.800 -99.200 -91.000 TYR 242 0.840 10.676 -4.680 -23.715 -99.200 -91.000 TYR 252 0.840 12.416 -26.021 -31.450 -99.200 -91.000 TRP 266 1.040 4.278 0.437 -22.199 -99.200 -91.000 TRP6 266 1.020 4.045 0.386 -24.582 -99.200 -91.000 TRP 271 1.040 9.733 -12.558 -29.349 -99.200 -91.000 TRP6 271 1.020 10.963 -11.648 -31.165 -99.200 -91.000 TRP 275 1.040 11.883 -20.319 -28.508 -99.200 -91.000 TRP6 275 1.020 11.377 -22.494 -27.699 -99.200 -91.000 TYR 280 0.840 2.337 -22.760 -35.622 -99.200 -91.000 TRP 282 1.040 6.323 -21.521 -25.950 -99.200 -91.000 TRP6 282 1.020 7.780 -21.968 -24.120 -99.200 -91.000 TYR 288 0.840 7.731 -30.711 -14.962 -99.200 -91.000 PHE 302 1.000 8.661 -10.224 -24.591 -99.200 -91.000 TRP 303 1.040 9.520 -17.966 -21.287 -99.200 -91.000 TRP6 303 1.020 11.370 -18.397 -19.868 -99.200 -91.000 PHE 306 1.000 22.210 -14.851 -24.811 -99.200 -91.000 PHE 309 1.000 18.558 -10.245 -24.440 -99.200 -91.000 PHE 313 1.000 14.964 -6.513 -26.203 -99.200 -91.000