============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. TYR 17 0.840 36.990 -0.353 -12.126 -99.200 -91.000 TRP 18 1.040 37.908 0.514 -4.525 -99.200 -91.000 TRP6 18 1.020 35.737 1.418 -4.850 -99.200 -91.000 HIS 38 0.900 18.503 -14.566 -19.653 -99.200 -91.000 PHE 54 1.000 16.485 13.430 -34.148 -99.200 -91.000 TRP 60 1.040 14.630 12.908 -22.948 -99.200 -91.000 TRP6 60 1.020 15.236 13.324 -25.199 -99.200 -91.000 TYR 93 0.840 22.219 12.845 -40.983 -99.200 -91.000 HIS 96 0.900 16.618 14.144 -30.670 -99.200 -91.000 PHE 103 1.000 19.528 -2.045 -14.465 -99.200 -91.000 TYR 111 0.840 28.262 5.649 -20.074 -99.200 -91.000 TYR 116 0.840 24.821 -4.815 -29.215 -99.200 -91.000 TYR 122 0.840 27.075 7.147 -35.240 -99.200 -91.000 TYR 144 0.840 32.659 -9.277 -25.479 -99.200 -91.000 PHE 147 1.000 30.372 -18.035 -15.613 -99.200 -91.000 TRP 150 1.040 38.680 -3.550 -17.948 -99.200 -91.000 TRP6 150 1.020 37.986 -1.915 -16.408 -99.200 -91.000 TRP 170 1.040 27.200 -22.634 -24.176 -99.200 -91.000 TRP6 170 1.020 27.043 -20.747 -25.600 -99.200 -91.000 HIS 171 0.900 31.966 -23.613 -18.485 -99.200 -91.000 TRP 172 1.040 28.482 -23.677 -12.627 -99.200 -91.000 TRP6 172 1.020 30.243 -22.648 -11.403 -99.200 -91.000 PHE 207 1.000 50.143 -7.843 -0.240 -99.200 -91.000 PHE 229 1.000 28.414 -22.457 -5.267 -99.200 -91.000 PHE 232 1.000 31.484 -18.343 -8.654 -99.200 -91.000 PHE 243 1.000 34.693 -3.048 -3.406 -99.200 -91.000 HIS 244 0.900 32.494 -3.804 0.099 -99.200 -91.000 PHE 251 1.000 42.583 10.126 7.237 -99.200 -91.000 TYR 256 0.840 31.031 1.977 -1.162 -99.200 -91.000 HIS 269 0.900 31.074 -16.863 5.973 -99.200 -91.000 PHE 271 1.000 21.613 -22.481 3.377 -99.200 -91.000 HIS 274 0.900 21.736 -27.129 9.282 -99.200 -91.000 HIS 275 0.900 22.564 -26.985 3.924 -99.200 -91.000 TYR 282 0.840 29.860 -13.155 2.104 -99.200 -91.000 PHE 284 1.000 27.419 -7.845 0.924 -99.200 -91.000 PHE 293 1.000 27.593 -14.856 -8.143 -99.200 -91.000 PHE 302 1.000 20.916 -17.734 1.194 -99.200 -91.000 HIS 308 0.900 14.170 -18.615 10.846 -99.200 -91.000 PHE 310 1.000 18.400 -10.637 7.085 -99.200 -91.000 PHE 317 1.000 11.772 -11.563 0.891 -99.200 -91.000 TYR 345 0.840 13.015 -5.502 -4.415 -99.200 -91.000 HIS 362 0.900 10.711 -6.730 -28.150 -99.200 -91.000 HIS 364 0.900 12.498 1.596 -32.485 -99.200 -91.000