============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 3 1.000 14.725 12.910 28.778 -99.200 -91.000 TYR 11 0.840 7.666 31.542 21.374 -99.200 -91.000 TRP 14 1.040 18.582 29.190 19.312 -99.200 -91.000 TRP6 14 1.020 17.088 30.967 18.861 -99.200 -91.000 TRP 37 1.040 18.317 17.950 19.171 -99.200 -91.000 TRP6 37 1.020 19.032 19.151 21.076 -99.200 -91.000 TRP 51 1.040 17.311 26.177 29.871 -99.200 -91.000 TRP6 51 1.020 19.004 24.665 30.520 -99.200 -91.000 TYR 57 0.840 19.838 37.959 17.863 -99.200 -91.000 PHE 58 1.000 23.431 30.795 20.830 -99.200 -91.000 PHE 80 1.000 21.312 22.704 36.073 -99.200 -91.000 PHE 90 1.000 16.018 15.172 32.511 -99.200 -91.000 TYR 95 0.840 18.848 4.171 45.672 -99.200 -91.000 TYR 99 0.840 11.775 8.832 41.776 -99.200 -91.000 PHE 108 1.000 5.560 29.916 31.852 -99.200 -91.000 PHE 114 1.000 10.064 15.725 31.735 -99.200 -91.000 PHE 152 1.000 10.979 41.423 45.278 -99.200 -91.000 TYR 157 0.840 10.001 36.572 48.270 -99.200 -91.000 TYR 169 0.840 6.155 38.720 44.736 -99.200 -91.000 PHE 172 1.000 1.595 34.660 38.395 -99.200 -91.000 PHE 173 1.000 6.047 32.154 39.127 -99.200 -91.000 PHE 181 1.000 8.510 20.249 43.050 -99.200 -91.000 TYR 183 0.840 6.713 26.867 48.864 -99.200 -91.000 TYR 199 0.840 10.904 10.365 30.871 -99.200 -91.000 PHE 203 1.000 10.867 23.608 24.845 -99.200 -91.000