============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. HIS 3 0.900 18.929 11.178 6.380 -99.200 -91.000 TRP 5 1.040 10.115 10.792 17.060 -99.200 -91.000 TRP6 5 1.020 7.981 11.802 17.200 -99.200 -91.000 TYR 31 0.840 22.554 11.228 23.286 -99.200 -91.000 PHE 54 1.000 19.769 18.806 29.324 -99.200 -91.000 PHE 124 1.000 12.069 40.353 29.772 -99.200 -91.000 TYR 134 0.840 -3.480 43.406 30.351 -99.200 -91.000 HIS 136 0.900 -5.231 34.363 38.315 -99.200 -91.000 HIS 144 0.900 20.010 29.446 42.611 -99.200 -91.000 PHE 145 1.000 10.991 34.825 40.814 -99.200 -91.000 TYR 181 0.840 13.625 19.883 40.620 -99.200 -91.000 PHE 185 1.000 -2.294 31.175 41.050 -99.200 -91.000