============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 4 1.000 30.000 26.337 30.890 -99.200 -91.000 TYR 7 0.840 36.468 36.315 33.771 -99.200 -91.000 TRP 19 1.040 19.337 25.199 32.300 -99.200 -91.000 TRP6 19 1.020 19.921 23.672 30.574 -99.200 -91.000 TYR 27 0.840 30.193 21.334 32.568 -99.200 -91.000 TRP 45 1.040 33.937 26.457 17.608 -99.200 -91.000 TRP6 45 1.020 35.016 27.311 19.543 -99.200 -91.000 PHE 56 1.000 29.926 33.073 17.770 -99.200 -91.000 PHE 57 1.000 33.451 41.207 18.184 -99.200 -91.000 TYR 64 0.840 30.755 45.749 22.251 -99.200 -91.000 PHE 101 1.000 23.472 21.900 19.922 -99.200 -91.000 PHE 106 1.000 21.633 29.466 30.991 -99.200 -91.000 TRP 111 1.040 22.319 27.591 26.455 -99.200 -91.000 TRP6 111 1.020 24.308 27.216 27.711 -99.200 -91.000