============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. HIS 15 0.900 67.943 -16.196 4.980 -99.200 -91.000 HIS 20 0.900 56.492 -12.348 8.567 -99.200 -91.000 HIS 23 0.900 63.188 -12.616 14.157 -99.200 -91.000 PHE 25 1.000 54.031 -19.814 13.759 -99.200 -91.000 PHE 38 1.000 48.711 -15.241 35.645 -99.200 -91.000 TRP 40 1.040 55.734 -19.520 39.491 -99.200 -91.000 TRP6 40 1.020 56.931 -20.334 41.382 -99.200 -91.000 HIS 43 0.900 42.527 -22.994 41.026 -99.200 -91.000 PHE 48 1.000 44.907 -15.583 32.876 -99.200 -91.000 TYR 76 0.840 40.711 -18.814 34.181 -99.200 -91.000 TYR 92 0.840 44.150 -27.953 20.970 -99.200 -91.000 PHE 93 1.000 42.957 -32.294 27.334 -99.200 -91.000 TYR 95 0.840 52.471 -33.585 21.344 -99.200 -91.000 HIS 96 0.900 50.686 -29.457 24.442 -99.200 -91.000 HIS 102 0.900 58.866 -27.934 29.656 -99.200 -91.000 TRP 118 1.040 37.382 -25.396 8.146 -99.200 -91.000 TRP6 118 1.020 37.946 -27.496 9.088 -99.200 -91.000 PHE 120 1.000 46.936 -24.710 9.894 -99.200 -91.000 PHE 133 1.000 47.505 -32.237 31.005 -99.200 -91.000 PHE 134 1.000 46.184 -26.095 36.771 -99.200 -91.000 TYR 145 0.840 51.833 -10.686 11.385 -99.200 -91.000 PHE 146 1.000 52.357 -15.893 9.537 -99.200 -91.000 PHE 149 1.000 56.317 -9.991 5.433 -99.200 -91.000 TYR 150 0.840 53.292 -14.834 3.428 -99.200 -91.000 PHE 153 1.000 57.817 -9.687 0.546 -99.200 -91.000 HIS 165 0.900 53.080 -28.914 10.741 -99.200 -91.000 TRP 174 1.040 49.529 -12.273 -2.109 -99.200 -91.000 TRP6 174 1.020 47.466 -11.111 -1.825 -99.200 -91.000 PHE 187 1.000 54.951 -30.235 2.154 -99.200 -91.000 TYR 198 0.840 65.059 -21.601 -8.450 -99.200 -91.000 TYR 199 0.840 61.188 -28.230 -6.558 -99.200 -91.000 PHE 205 1.000 47.981 -23.070 -3.844 -99.200 -91.000 TYR 211 0.840 61.992 -21.262 -13.381 -99.200 -91.000 TYR 214 0.840 62.616 -26.769 -0.877 -99.200 -91.000 TYR 220 0.840 59.092 -21.360 16.294 -99.200 -91.000 TRP 237 1.040 49.579 -15.815 -27.235 -99.200 -91.000 TRP6 237 1.020 48.126 -16.312 -29.065 -99.200 -91.000