============================================================================= 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 -2.339 31.263 33.068 -99.200 -91.000 TRP6 14 1.020 -2.011 32.624 34.968 -99.200 -91.000 PHE 19 1.000 -13.986 17.677 25.748 -99.200 -91.000 TRP 37 1.040 -9.255 38.519 21.052 -99.200 -91.000 TRP6 37 1.020 -9.138 37.556 18.915 -99.200 -91.000 HIS 43 0.900 0.976 21.106 17.345 -99.200 -91.000 TYR 47 0.840 0.965 17.808 11.535 -99.200 -91.000 TRP 49 1.040 0.303 13.180 11.882 -99.200 -91.000 TRP6 49 1.020 0.680 13.418 14.204 -99.200 -91.000 PHE 53 1.000 -9.767 18.894 15.095 -99.200 -91.000 HIS 65 0.900 -7.440 20.693 40.179 -99.200 -91.000 TYR 70 0.840 -20.335 21.025 34.101 -99.200 -91.000 TYR 84 0.840 -9.182 35.919 13.260 -99.200 -91.000 HIS 86 0.900 2.382 33.930 11.541 -99.200 -91.000 TYR 89 0.840 1.170 25.401 11.598 -99.200 -91.000 TRP 91 1.040 0.646 22.764 6.774 -99.200 -91.000 TRP6 91 1.020 1.187 21.231 5.106 -99.200 -91.000 PHE 110 1.000 -11.353 38.170 32.595 -99.200 -91.000 TYR 113 0.840 -12.159 28.539 41.459 -99.200 -91.000 HIS 115 0.900 -7.082 37.573 36.650 -99.200 -91.000 TYR 132 0.840 17.418 34.124 34.179 -99.200 -91.000 TRP 139 1.040 -6.394 18.813 32.601 -99.200 -91.000 TRP6 139 1.020 -7.009 21.004 31.960 -99.200 -91.000 TRP 146 1.040 4.616 7.342 21.312 -99.200 -91.000 TRP6 146 1.020 6.725 6.415 20.757 -99.200 -91.000 PHE 184 1.000 10.767 29.135 25.069 -99.200 -91.000 TYR 188 0.840 15.389 20.290 35.562 -99.200 -91.000 PHE 207 1.000 8.809 27.961 29.803 -99.200 -91.000 PHE 213 1.000 12.797 42.378 37.188 -99.200 -91.000 TRP 217 1.040 2.160 33.944 37.966 -99.200 -91.000 TRP6 217 1.020 3.772 32.203 37.867 -99.200 -91.000 TYR 218 0.840 4.648 39.878 32.298 -99.200 -91.000 TRP 225 1.040 8.854 21.456 17.388 -99.200 -91.000 TRP6 225 1.020 10.992 20.474 17.365 -99.200 -91.000 TYR 235 0.840 17.636 19.468 26.146 -99.200 -91.000 PHE 237 1.000 13.469 22.282 20.159 -99.200 -91.000 TYR 238 0.840 8.154 24.504 26.018 -99.200 -91.000 HIS 240 0.900 11.007 34.189 21.500 -99.200 -91.000 PHE 242 1.000 8.842 41.005 22.690 -99.200 -91.000 TRP 247 1.040 -0.816 36.758 12.810 -99.200 -91.000 TRP6 247 1.020 -1.609 35.066 14.289 -99.200 -91.000 PHE 255 1.000 -11.970 43.447 11.505 -99.200 -91.000