============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. PHE 27 1.000 31.127 -26.182 -0.569 -99.200 -91.000 HIS 33 0.900 21.421 -21.147 4.496 -99.200 -91.000 TRP 36 1.040 20.548 -33.474 3.475 -99.200 -91.000 TRP6 36 1.020 21.636 -35.310 2.431 -99.200 -91.000 TRP 47 1.040 14.410 -27.173 0.678 -99.200 -91.000 TRP6 47 1.020 13.474 -26.282 2.672 -99.200 -91.000 TYR 60 0.840 14.169 -30.525 9.877 -99.200 -91.000 PHE 64 1.000 9.839 -34.517 3.520 -99.200 -91.000 TYR 80 0.840 27.035 -36.929 8.671 -99.200 -91.000 TYR 93 0.840 15.817 -39.828 0.298 -99.200 -91.000 TYR 94 0.840 19.349 -35.621 -6.884 -99.200 -91.000 TYR 101 0.840 24.329 -13.152 -0.975 -99.200 -91.000 TYR 102 0.840 24.209 -18.054 -8.370 -99.200 -91.000 TYR 110 0.840 29.188 -25.782 -7.666 -99.200 -91.000 TRP 111 1.040 21.358 -29.139 -7.542 -99.200 -91.000 TRP6 111 1.020 19.323 -30.012 -6.804 -99.200 -91.000