============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TRP 8 1.040 -5.937 -11.924 28.950 -99.200 -91.000 TRP6 8 1.020 -5.287 -14.181 28.625 -99.200 -91.000 TYR 23 0.840 -11.475 -12.836 18.091 -99.200 -91.000 TYR 24 0.840 -4.830 -10.583 13.569 -99.200 -91.000 TYR 25 0.840 -13.977 -11.077 14.280 -99.200 -91.000 TYR 36 0.840 -30.271 -23.793 24.117 -99.200 -91.000 HIS 46 0.900 -24.063 -4.987 28.595 -99.200 -91.000 PHE 49 1.000 -25.098 -10.309 26.195 -99.200 -91.000 TYR 59 0.840 -35.047 -25.287 35.508 -99.200 -91.000 TYR 60 0.840 -33.067 -20.889 41.025 -99.200 -91.000 TYR 61 0.840 -38.664 -17.524 44.410 -99.200 -91.000 HIS 69 0.900 -20.486 -17.667 36.893 -99.200 -91.000 HIS 72 0.900 -16.953 -12.014 32.961 -99.200 -91.000 TYR 82 0.840 -16.386 -6.174 26.546 -99.200 -91.000 PHE 91 1.000 -31.721 -19.582 21.755 -99.200 -91.000 TYR 104 0.840 -24.263 -31.710 41.870 -99.200 -91.000 PHE 113 1.000 -35.889 -25.471 28.472 -99.200 -91.000 TYR 137 0.840 -18.321 -39.212 40.130 -99.200 -91.000 TYR 169 0.840 -13.418 -30.974 42.306 -99.200 -91.000 TYR 186 0.840 2.398 -12.131 31.911 -99.200 -91.000 PHE 192 1.000 -8.219 -19.563 38.298 -99.200 -91.000 TYR 195 0.840 -3.762 -30.861 38.865 -99.200 -91.000 PHE 202 1.000 -5.122 -26.346 30.676 -99.200 -91.000 TRP 212 1.040 -21.188 -7.598 37.117 -99.200 -91.000 TRP6 212 1.020 -20.282 -9.770 37.436 -99.200 -91.000 HIS 229 0.900 -12.102 -16.727 26.555 -99.200 -91.000 TYR 236 0.840 -14.432 -18.377 13.976 -99.200 -91.000 TYR 251 0.840 -11.433 -28.520 13.360 -99.200 -91.000 PHE 266 1.000 4.340 -37.496 32.123 -99.200 -91.000 TYR 274 0.840 -4.014 -20.856 16.106 -99.200 -91.000 TYR 277 0.840 -9.032 -14.698 9.943 -99.200 -91.000