============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 9 1.000 5.629 39.907 -8.540 -99.200 -91.000 HIS 30 0.900 30.224 48.577 13.196 -99.200 -91.000 TYR 36 0.840 26.821 50.844 9.401 -99.200 -91.000 TYR 38 0.840 23.069 52.091 3.652 -99.200 -91.000 TRP 39 1.040 14.268 49.955 3.415 -99.200 -91.000 TRP6 39 1.020 13.375 47.923 2.618 -99.200 -91.000 TYR 40 0.840 20.349 51.958 -2.476 -99.200 -91.000 HIS 49 0.900 14.698 57.267 -6.068 -99.200 -91.000 TYR 53 0.840 21.096 58.435 5.845 -99.200 -91.000 HIS 54 0.900 24.204 55.279 8.528 -99.200 -91.000 PHE 66 1.000 8.350 56.755 0.288 -99.200 -91.000 PHE 75 1.000 17.087 44.388 8.058 -99.200 -91.000 TYR 90 0.840 9.332 51.224 -2.982 -99.200 -91.000 TYR 91 0.840 15.939 46.615 -6.677 -99.200 -91.000 HIS 94 0.900 25.784 43.714 2.821 -99.200 -91.000 PHE 102 1.000 22.775 46.458 -4.400 -99.200 -91.000 PHE 122 1.000 -2.803 52.595 -34.173 -99.200 -91.000 PHE 139 1.000 -0.329 51.181 -29.784 -99.200 -91.000 PHE 143 1.000 -5.177 46.384 -19.810 -99.200 -91.000 TYR 144 0.840 -6.216 47.604 -11.251 -99.200 -91.000 TRP 152 1.040 -4.137 39.988 -33.307 -99.200 -91.000 TRP6 152 1.020 -4.374 42.037 -34.463 -99.200 -91.000 TRP 167 1.040 -0.252 42.690 -20.402 -99.200 -91.000 TRP6 167 1.020 -0.009 40.806 -21.806 -99.200 -91.000 TYR 177 0.840 -1.039 46.858 -14.457 -99.200 -91.000 TYR 190 0.840 -2.347 43.774 -45.123 -99.200 -91.000 HIS 193 0.900 -6.731 35.601 -46.184 -99.200 -91.000 TYR 196 0.840 -5.893 41.640 -42.457 -99.200 -91.000 HIS 202 0.900 -10.015 44.533 -18.205 -99.200 -91.000 PHE 213 1.000 -6.843 46.945 -41.139 -99.200 -91.000