============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 3 1.000 9.721 15.871 -7.990 -99.200 -91.000 TYR 20 0.840 -2.685 2.529 -9.304 -99.200 -91.000 TRP 28 1.040 4.773 3.581 -11.472 -99.200 -91.000 TRP6 28 1.020 3.290 4.170 -13.213 -99.200 -91.000 TRP 34 1.040 15.034 6.144 -20.468 -99.200 -91.000 TRP6 34 1.020 16.717 6.790 -22.007 -99.200 -91.000 TYR 38 0.840 13.933 11.109 -12.828 -99.200 -91.000 TYR 45 0.840 2.749 20.313 -32.303 -99.200 -91.000 TYR 54 0.840 0.364 20.092 -21.956 -99.200 -91.000 PHE 57 1.000 3.612 10.132 -13.821 -99.200 -91.000 TRP 63 1.040 -5.832 10.095 -26.977 -99.200 -91.000 TRP6 63 1.020 -7.792 9.235 -27.975 -99.200 -91.000 TRP 64 1.040 -4.461 10.190 -21.766 -99.200 -91.000 TRP6 64 1.020 -5.981 8.494 -21.101 -99.200 -91.000 HIS 78 0.900 -13.429 13.805 -15.675 -99.200 -91.000 HIS 98 0.900 -8.906 7.677 -16.155 -99.200 -91.000 TRP 108 1.040 3.317 6.869 -19.731 -99.200 -91.000 TRP6 108 1.020 1.659 5.901 -18.350 -99.200 -91.000 TRP 111 1.040 7.709 0.594 -18.740 -99.200 -91.000 TRP6 111 1.020 6.756 -1.379 -19.648 -99.200 -91.000 HIS 114 0.900 14.514 4.868 -24.346 -99.200 -91.000 HIS 118 0.900 15.642 -1.849 -21.755 -99.200 -91.000 TYR 123 0.840 15.950 4.383 -13.959 -99.200 -91.000