============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 9 1.040 22.934 0.849 1.538 -99.200 -91.000 TRP6 9 1.020 22.702 -0.859 3.131 -99.200 -91.000 TYR 10 0.840 25.710 -3.342 -4.655 -99.200 -91.000 PHE 17 1.000 19.917 3.028 -1.524 -99.200 -91.000 TYR 31 0.840 17.173 3.237 -7.043 -99.200 -91.000 TYR 42 0.840 16.688 8.081 -13.494 -99.200 -91.000 TYR 48 0.840 19.901 9.510 9.135 -99.200 -91.000 TRP 63 1.040 15.380 6.007 -1.460 -99.200 -91.000 TRP6 63 1.020 15.682 4.253 0.060 -99.200 -91.000 TRP 67 1.040 11.250 6.816 -11.134 -99.200 -91.000 TRP6 67 1.020 13.240 5.688 -10.666 -99.200 -91.000 TYR 71 0.840 22.063 10.566 -20.609 -99.200 -91.000 HIS 75 0.900 6.810 12.477 -18.819 -99.200 -91.000 TRP 80 1.040 12.551 2.366 -2.880 -99.200 -91.000 TRP6 80 1.020 12.951 3.904 -4.621 -99.200 -91.000 TYR 84 0.840 21.539 0.541 8.920 -99.200 -91.000 TRP 96 1.040 8.937 -0.618 -4.461 -99.200 -91.000 TRP6 96 1.020 7.452 -0.553 -6.282 -99.200 -91.000 TRP 108 1.040 -9.064 4.351 -12.313 -99.200 -91.000 TRP6 108 1.020 -8.715 2.033 -12.081 -99.200 -91.000 HIS 115 0.900 7.998 -7.114 -1.809 -99.200 -91.000 PHE 118 1.000 17.080 -0.889 -2.006 -99.200 -91.000