============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 38.453 26.215 20.311 -99.200 -91.000 TRP6 14 1.020 38.243 25.483 22.541 -99.200 -91.000 PHE 19 1.000 49.983 25.531 3.992 -99.200 -91.000 TRP 37 1.040 32.052 14.748 11.794 -99.200 -91.000 TRP6 37 1.020 31.303 14.807 9.571 -99.200 -91.000 HIS 43 0.900 33.772 33.230 2.753 -99.200 -91.000 TYR 47 0.840 32.669 34.926 -3.281 -99.200 -91.000 TRP 49 1.040 36.719 36.653 -4.398 -99.200 -91.000 TRP6 49 1.020 37.016 36.528 -2.064 -99.200 -91.000 PHE 53 1.000 40.685 26.099 -2.975 -99.200 -91.000 HIS 65 0.900 51.509 30.980 19.712 -99.200 -91.000 TYR 70 0.840 55.713 20.587 9.951 -99.200 -91.000 TYR 84 0.840 29.923 15.719 4.402 -99.200 -91.000 HIS 86 0.900 22.757 25.327 4.985 -99.200 -91.000 TYR 89 0.840 28.005 29.565 0.301 -99.200 -91.000 TRP 91 1.040 27.547 31.298 -5.176 -99.200 -91.000 TRP6 91 1.020 27.882 32.809 -6.935 -99.200 -91.000 PHE 110 1.000 40.432 15.425 20.741 -99.200 -91.000 TYR 113 0.840 50.617 22.190 22.449 -99.200 -91.000 HIS 115 0.900 39.492 19.323 24.650 -99.200 -91.000 TYR 132 0.840 25.823 38.954 27.767 -99.200 -91.000 TRP 139 1.040 47.733 31.563 12.759 -99.200 -91.000 TRP6 139 1.020 46.491 29.569 12.976 -99.200 -91.000 TRP 146 1.040 45.470 52.379 3.633 -99.200 -91.000 TRP6 146 1.020 44.185 53.350 1.949 -99.200 -91.000 PHE 184 1.000 27.268 35.699 15.542 -99.200 -91.000 TYR 188 0.840 35.004 46.973 21.800 -99.200 -91.000 PHE 207 1.000 31.618 36.229 18.519 -99.200 -91.000 PHE 213 1.000 25.196 30.913 31.360 -99.200 -91.000 TRP 217 1.040 36.636 28.515 26.861 -99.200 -91.000 TRP6 217 1.020 36.917 30.826 26.438 -99.200 -91.000 TYR 218 0.840 28.660 25.496 25.076 -99.200 -91.000 TRP 225 1.040 28.688 38.850 5.554 -99.200 -91.000 TRP6 225 1.020 27.922 41.104 5.540 -99.200 -91.000 TYR 235 0.840 28.715 47.632 14.666 -99.200 -91.000 PHE 237 1.000 26.825 42.073 9.730 -99.200 -91.000 TYR 238 0.840 31.793 37.668 13.881 -99.200 -91.000 HIS 240 0.900 22.458 32.416 15.340 -99.200 -91.000 PHE 242 1.000 20.173 27.031 18.858 -99.200 -91.000 TRP 247 1.040 24.102 21.193 6.575 -99.200 -91.000 TRP6 247 1.020 26.193 22.136 7.114 -99.200 -91.000 PHE 255 1.000 26.431 12.378 4.535 -99.200 -91.000