============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. TYR 17 0.840 -7.725 7.936 49.775 -99.200 -91.000 TRP 18 1.040 -5.836 7.470 54.211 -99.200 -91.000 TRP6 18 1.020 -5.206 5.422 55.194 -99.200 -91.000 HIS 20 0.900 -4.519 5.278 46.398 -99.200 -91.000 PHE 26 1.000 -0.503 2.882 34.266 -99.200 -91.000 HIS 53 0.900 -0.330 9.290 60.367 -99.200 -91.000 HIS 56 0.900 -8.360 12.116 56.038 -99.200 -91.000 TYR 61 0.840 -5.798 2.504 59.687 -99.200 -91.000 TYR 65 0.840 0.117 -0.142 48.304 -99.200 -91.000 HIS 66 0.900 -3.707 -8.425 47.065 -99.200 -91.000 TYR 89 0.840 17.979 -5.185 50.302 -99.200 -91.000 PHE 91 1.000 10.223 -10.077 45.021 -99.200 -91.000 PHE 92 1.000 6.428 -11.658 49.183 -99.200 -91.000 HIS 94 0.900 11.628 -3.748 44.725 -99.200 -91.000 TRP 99 1.040 4.421 -6.971 44.136 -99.200 -91.000 TRP6 99 1.020 5.152 -9.043 44.935 -99.200 -91.000 PHE 108 1.000 0.464 -2.516 36.640 -99.200 -91.000 HIS 109 0.900 -6.370 -2.570 33.243 -99.200 -91.000