============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 17 1.000 41.077 69.300 9.894 -99.200 -91.000 TYR 21 0.840 42.313 63.903 9.401 -99.200 -91.000 TYR 25 0.840 48.231 52.931 7.373 -99.200 -91.000 PHE 49 1.000 32.036 64.797 11.795 -99.200 -91.000 TRP 65 1.040 42.337 51.518 12.355 -99.200 -91.000 TRP6 65 1.020 44.642 51.690 12.823 -99.200 -91.000 PHE 90 1.000 40.583 46.554 1.664 -99.200 -91.000 TRP 98 1.040 42.653 41.579 12.518 -99.200 -91.000 TRP6 98 1.020 44.978 41.253 12.276 -99.200 -91.000 PHE 102 1.000 47.219 41.694 17.095 -99.200 -91.000 TYR 104 0.840 44.712 42.433 21.844 -99.200 -91.000 TYR 109 0.840 36.357 34.450 26.742 -99.200 -91.000 PHE 110 1.000 32.194 43.971 23.203 -99.200 -91.000 HIS 114 0.900 28.220 42.611 23.103 -99.200 -91.000 TYR 135 0.840 47.916 33.223 15.679 -99.200 -91.000 PHE 168 1.000 51.027 26.031 13.514 -99.200 -91.000 PHE 177 1.000 40.035 20.799 18.569 -99.200 -91.000