============================================================================= 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. TYR 14 0.840 2.281 34.762 2.437 -99.200 -91.000 TYR 17 0.840 15.875 35.385 -4.491 -99.200 -91.000 TYR 25 0.840 21.432 29.520 -13.521 -99.200 -91.000 PHE 30 1.000 12.133 33.240 -7.624 -99.200 -91.000 TYR 33 0.840 -0.106 29.425 1.072 -99.200 -91.000 PHE 47 1.000 -1.268 27.501 -14.708 -99.200 -91.000 TYR 49 0.840 4.601 27.662 -12.933 -99.200 -91.000 TYR 59 0.840 2.968 43.041 -1.325 -99.200 -91.000 TRP 68 1.040 -4.212 51.278 -10.245 -99.200 -91.000 TRP6 68 1.020 -4.623 50.454 -8.068 -99.200 -91.000 HIS 78 0.900 -4.085 42.695 -20.665 -99.200 -91.000 TYR 91 0.840 -15.560 49.550 -4.323 -99.200 -91.000 PHE 99 1.000 -7.704 41.166 -6.164 -99.200 -91.000 PHE 103 1.000 -3.910 32.874 -2.060 -99.200 -91.000 TYR 112 0.840 5.032 48.822 20.848 -99.200 -91.000 TYR 132 0.840 1.080 55.663 14.656 -99.200 -91.000 PHE 143 1.000 -8.100 50.201 7.034 -99.200 -91.000 PHE 144 1.000 -4.025 52.582 9.243 -99.200 -91.000 TYR 152 0.840 -8.878 52.675 11.782 -99.200 -91.000 TRP 156 1.040 -2.710 59.291 5.284 -99.200 -91.000 TRP6 156 1.020 -1.077 57.786 4.468 -99.200 -91.000 PHE 158 1.000 3.408 59.478 14.300 -99.200 -91.000 TYR 183 0.840 7.787 51.647 12.693 -99.200 -91.000 TYR 194 0.840 7.133 32.915 8.879 -99.200 -91.000 TYR 214 0.840 -2.706 37.627 1.933 -99.200 -91.000 TYR 224 0.840 -5.018 30.465 -18.677 -99.200 -91.000 HIS 242 0.900 -5.716 23.154 8.314 -99.200 -91.000 TRP 248 1.040 5.247 26.607 2.657 -99.200 -91.000 TRP6 248 1.020 7.566 26.641 2.183 -99.200 -91.000 TRP 249 1.040 2.008 31.193 8.811 -99.200 -91.000 TRP6 249 1.020 1.828 31.285 6.453 -99.200 -91.000