============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 9 1.000 19.664 11.792 35.314 -99.200 -91.000 TYR 11 0.840 25.376 12.475 38.637 -99.200 -91.000 HIS 15 0.900 34.670 8.166 45.083 -99.200 -91.000 TYR 27 0.840 29.377 10.881 20.151 -99.200 -91.000 PHE 30 1.000 24.926 -0.204 32.370 -99.200 -91.000 PHE 31 1.000 18.722 5.894 32.862 -99.200 -91.000 TYR 32 0.840 24.103 0.844 38.304 -99.200 -91.000 PHE 42 1.000 26.070 -2.402 27.809 -99.200 -91.000 PHE 46 1.000 31.275 0.701 27.220 -99.200 -91.000 PHE 52 1.000 31.536 0.805 22.259 -99.200 -91.000 TYR 66 0.840 19.470 1.473 42.720 -99.200 -91.000 TRP 74 1.040 24.311 3.328 43.774 -99.200 -91.000 TRP6 74 1.020 25.164 5.173 44.987 -99.200 -91.000 TYR 80 0.840 33.410 -4.998 44.555 -99.200 -91.000 TRP 84 1.040 31.795 2.664 32.612 -99.200 -91.000 TRP6 84 1.020 29.942 1.194 32.443 -99.200 -91.000 TRP 88 1.040 20.040 6.434 45.068 -99.200 -91.000 TRP6 88 1.020 19.943 7.370 47.253 -99.200 -91.000 TYR 100 0.840 16.364 9.697 30.887 -99.200 -91.000 TYR 109 0.840 16.990 6.319 27.095 -99.200 -91.000 TYR 129 0.840 25.819 7.345 16.101 -99.200 -91.000