============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 13.768 40.264 52.907 -99.200 -91.000 TRP6 14 1.020 15.046 42.107 52.152 -99.200 -91.000 PHE 19 1.000 9.702 28.601 68.140 -99.200 -91.000 TRP 37 1.040 -0.672 44.296 57.228 -99.200 -91.000 TRP6 37 1.020 -2.530 42.829 57.315 -99.200 -91.000 HIS 43 0.900 2.767 24.783 52.050 -99.200 -91.000 TYR 47 0.840 -1.724 19.662 52.601 -99.200 -91.000 TRP 49 1.040 -0.029 15.708 55.107 -99.200 -91.000 TRP6 49 1.020 1.949 16.891 54.565 -99.200 -91.000 PHE 53 1.000 -0.095 24.584 63.043 -99.200 -91.000 HIS 65 0.900 23.247 34.598 61.350 -99.200 -91.000 TYR 70 0.840 14.945 35.496 73.450 -99.200 -91.000 TYR 84 0.840 -7.139 39.082 57.492 -99.200 -91.000 HIS 86 0.900 -6.691 33.988 46.809 -99.200 -91.000 TYR 89 0.840 -4.300 26.530 50.580 -99.200 -91.000 TRP 91 1.040 -7.836 22.855 51.217 -99.200 -91.000 TRP6 91 1.020 -8.837 20.725 51.535 -99.200 -91.000 PHE 110 1.000 10.119 48.740 59.690 -99.200 -91.000 TYR 113 0.840 21.115 43.315 63.876 -99.200 -91.000 HIS 115 0.900 14.383 48.448 56.043 -99.200 -91.000 TYR 132 0.840 16.285 38.440 33.573 -99.200 -91.000 TRP 139 1.040 16.760 30.098 60.336 -99.200 -91.000 TRP6 139 1.020 15.157 31.832 60.151 -99.200 -91.000 PHE 176 1.000 8.292 32.433 40.727 -99.200 -91.000 TYR 180 0.840 21.624 26.790 39.508 -99.200 -91.000 PHE 199 1.000 12.790 33.324 43.170 -99.200 -91.000 PHE 205 1.000 15.060 48.108 35.407 -99.200 -91.000 TRP 209 1.040 17.830 43.213 48.176 -99.200 -91.000 TRP6 209 1.020 18.673 41.246 47.173 -99.200 -91.000 TYR 210 0.840 10.822 45.957 43.837 -99.200 -91.000 TRP 217 1.040 3.749 23.082 44.502 -99.200 -91.000 TRP6 217 1.020 4.300 21.477 42.850 -99.200 -91.000 TYR 227 0.840 13.444 22.162 36.911 -99.200 -91.000 PHE 229 1.000 6.659 23.480 40.069 -99.200 -91.000 TYR 230 0.840 10.444 29.152 44.538 -99.200 -91.000 HIS 232 0.900 3.615 35.762 39.016 -99.200 -91.000 PHE 234 1.000 1.766 42.316 39.125 -99.200 -91.000 TRP 239 1.040 -6.602 37.671 49.029 -99.200 -91.000 TRP6 239 1.020 -4.820 37.014 50.444 -99.200 -91.000 PHE 247 1.000 -10.614 47.412 61.095 -99.200 -91.000