============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. PHE 6 1.000 -20.011 -12.406 -34.995 -99.200 -91.000 HIS 8 0.900 -24.500 -10.620 -29.583 -99.200 -91.000 TRP 16 1.040 -21.296 -15.386 -22.053 -99.200 -91.000 TRP6 16 1.020 -19.885 -13.539 -21.614 -99.200 -91.000 PHE 27 1.000 -16.835 -30.222 -30.174 -99.200 -91.000 TYR 33 0.840 -7.053 -31.645 -30.294 -99.200 -91.000 TYR 35 0.840 -4.286 -22.921 -24.449 -99.200 -91.000 TRP 41 1.040 -13.564 -20.267 -22.430 -99.200 -91.000 TRP6 41 1.020 -12.955 -22.202 -21.209 -99.200 -91.000 TYR 42 0.840 -8.251 -19.268 -28.956 -99.200 -91.000 HIS 52 0.900 2.127 -40.599 -31.921 -99.200 -91.000 PHE 62 1.000 2.235 -34.184 -42.173 -99.200 -91.000 TRP 71 1.040 8.032 -36.082 -41.619 -99.200 -91.000 TRP6 71 1.020 7.079 -34.104 -40.752 -99.200 -91.000 PHE 83 1.000 1.822 -30.332 -37.462 -99.200 -91.000 HIS 86 0.900 2.395 -30.364 -44.746 -99.200 -91.000 TYR 95 0.840 -6.634 -26.010 -30.878 -99.200 -91.000 PHE 100 1.000 9.122 -35.662 -15.879 -99.200 -91.000 PHE 102 1.000 10.533 -31.794 -25.956 -99.200 -91.000 HIS 105 0.900 14.064 -37.954 -27.773 -99.200 -91.000 PHE 111 1.000 12.796 -41.296 -22.264 -99.200 -91.000 TRP 116 1.040 -0.823 -40.903 -21.384 -99.200 -91.000 TRP6 116 1.020 -2.239 -39.041 -21.151 -99.200 -91.000 PHE 130 1.000 -18.249 -21.216 -27.751 -99.200 -91.000 TYR 138 0.840 -12.710 -19.723 -38.496 -99.200 -91.000 TYR 153 0.840 4.373 -36.557 -1.509 -99.200 -91.000 TYR 169 0.840 17.993 -34.066 -5.584 -99.200 -91.000 TYR 192 0.840 -20.989 -28.489 -11.479 -99.200 -91.000 PHE 203 1.000 -4.880 -29.160 -19.743 -99.200 -91.000 PHE 205 1.000 -4.901 -34.308 -24.454 -99.200 -91.000 PHE 215 1.000 -10.103 -26.446 -14.233 -99.200 -91.000 HIS 245 0.900 -7.181 -20.233 6.511 -99.200 -91.000 HIS 255 0.900 6.053 -10.170 4.722 -99.200 -91.000 HIS 263 0.900 8.799 -16.941 -6.560 -99.200 -91.000 HIS 299 0.900 0.504 -21.865 -6.064 -99.200 -91.000 TRP 315 1.040 9.107 -25.036 -32.447 -99.200 -91.000 TRP6 315 1.020 7.643 -26.426 -31.228 -99.200 -91.000 PHE 318 1.000 8.085 -26.653 -24.995 -99.200 -91.000 PHE 322 1.000 8.378 -30.149 -21.233 -99.200 -91.000 TYR 350 0.840 2.291 -33.638 -11.935 -99.200 -91.000 PHE 362 1.000 5.905 -22.700 -28.868 -99.200 -91.000 PHE 372 1.000 -2.766 -35.720 -15.890 -99.200 -91.000 TRP 379 1.040 -2.562 -39.877 -13.183 -99.200 -91.000 TRP6 379 1.020 -2.600 -40.674 -15.422 -99.200 -91.000 TYR 409 0.840 -14.153 -27.707 -7.243 -99.200 -91.000