============================================================================= 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 22.930 0.925 1.559 -99.200 -91.000 TRP6 9 1.020 22.761 -0.734 3.198 -99.200 -91.000 TYR 10 0.840 25.826 -3.262 -4.655 -99.200 -91.000 PHE 17 1.000 19.971 3.710 -1.253 -99.200 -91.000 TYR 31 0.840 17.197 3.057 -7.262 -99.200 -91.000 TYR 42 0.840 16.749 8.152 -13.491 -99.200 -91.000 TYR 48 0.840 19.946 9.569 9.220 -99.200 -91.000 TRP 63 1.040 15.447 6.122 -1.504 -99.200 -91.000 TRP6 63 1.020 15.760 4.351 -0.011 -99.200 -91.000 TRP 67 1.040 11.395 6.792 -11.099 -99.200 -91.000 TRP6 67 1.020 13.423 5.710 -10.597 -99.200 -91.000 TYR 71 0.840 22.109 10.800 -20.329 -99.200 -91.000 HIS 75 0.900 7.017 12.508 -18.715 -99.200 -91.000 TRP 80 1.040 12.619 2.283 -2.831 -99.200 -91.000 TRP6 80 1.020 13.086 3.776 -4.590 -99.200 -91.000 TYR 84 0.840 21.384 0.646 8.897 -99.200 -91.000 TRP 96 1.040 9.039 -0.644 -4.466 -99.200 -91.000 TRP6 96 1.020 7.538 -0.602 -6.268 -99.200 -91.000 TRP 108 1.040 -8.395 4.132 -13.446 -99.200 -91.000 TRP6 108 1.020 -7.432 2.090 -14.108 -99.200 -91.000 HIS 115 0.900 8.011 -7.145 -1.592 -99.200 -91.000 PHE 118 1.000 17.150 -0.922 -1.900 -99.200 -91.000