============================================================================= 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. TRP 10 1.040 53.266 18.255 48.008 -99.200 -91.000 TRP6 10 1.020 52.793 20.410 47.203 -99.200 -91.000 TYR 14 0.840 54.431 15.653 39.996 -99.200 -91.000 PHE 38 1.000 46.995 24.945 37.999 -99.200 -91.000 TYR 44 0.840 44.445 19.156 23.892 -99.200 -91.000 PHE 52 1.000 43.478 24.900 28.378 -99.200 -91.000 PHE 58 1.000 48.196 22.607 44.011 -99.200 -91.000 TRP 60 1.040 47.192 20.466 48.763 -99.200 -91.000 TRP6 60 1.020 48.316 18.464 48.351 -99.200 -91.000 TYR 75 0.840 45.823 16.262 37.729 -99.200 -91.000 HIS 98 0.900 47.901 4.290 27.967 -99.200 -91.000 TYR 99 0.840 43.248 7.938 31.901 -99.200 -91.000