============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. HIS 6 0.900 32.492 -40.404 40.209 -99.200 -91.000 TRP 31 1.040 21.501 -47.371 21.003 -99.200 -91.000 TRP6 31 1.020 20.882 -46.666 23.164 -99.200 -91.000 TRP 49 1.040 23.041 -33.171 26.794 -99.200 -91.000 TRP6 49 1.020 22.163 -35.294 27.309 -99.200 -91.000 TYR 59 0.840 19.285 -39.095 26.295 -99.200 -91.000 PHE 63 1.000 31.213 -44.970 32.375 -99.200 -91.000 TYR 68 0.840 41.908 -47.463 33.568 -99.200 -91.000 PHE 69 1.000 40.785 -52.485 34.300 -99.200 -91.000 PHE 77 1.000 33.096 -61.821 32.070 -99.200 -91.000 PHE 78 1.000 32.868 -56.510 33.088 -99.200 -91.000 PHE 85 1.000 21.992 -41.640 31.177 -99.200 -91.000 HIS 86 0.900 13.214 -42.272 31.114 -99.200 -91.000 HIS 93 0.900 24.791 -33.173 38.152 -99.200 -91.000 TYR 94 0.840 18.939 -36.868 34.582 -99.200 -91.000 HIS 95 0.900 28.092 -37.459 39.493 -99.200 -91.000 TYR 103 0.840 38.867 -60.744 35.112 -99.200 -91.000 TYR 105 0.840 30.018 -53.137 34.862 -99.200 -91.000 TYR 108 0.840 26.891 -44.672 42.545 -99.200 -91.000