============================================================================= 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 -14.233 41.655 28.781 -99.200 -91.000 TYR 11 0.840 -21.206 60.342 21.388 -99.200 -91.000 TRP 14 1.040 -10.284 57.948 19.290 -99.200 -91.000 TRP6 14 1.020 -11.762 59.714 18.827 -99.200 -91.000 TRP 37 1.040 -10.638 46.695 19.192 -99.200 -91.000 TRP6 37 1.020 -9.902 47.891 21.094 -99.200 -91.000 TRP 51 1.040 -11.560 54.917 29.846 -99.200 -91.000 TRP6 51 1.020 -9.842 53.406 30.513 -99.200 -91.000 TYR 57 0.840 -8.996 66.739 17.905 -99.200 -91.000 PHE 58 1.000 -5.420 59.513 20.758 -99.200 -91.000 PHE 80 1.000 -7.517 51.457 36.040 -99.200 -91.000 PHE 90 1.000 -12.886 43.909 32.529 -99.200 -91.000 TYR 95 0.840 -10.054 32.918 45.604 -99.200 -91.000 TYR 99 0.840 -17.118 37.591 41.811 -99.200 -91.000 PHE 108 1.000 -23.259 58.716 31.865 -99.200 -91.000 PHE 114 1.000 -18.887 44.504 31.748 -99.200 -91.000 PHE 152 1.000 -17.771 70.155 45.266 -99.200 -91.000 TYR 157 0.840 -18.796 65.366 48.273 -99.200 -91.000 TYR 169 0.840 -22.608 67.521 44.734 -99.200 -91.000 PHE 172 1.000 -27.206 63.478 38.391 -99.200 -91.000 PHE 173 1.000 -22.782 60.961 39.129 -99.200 -91.000 PHE 181 1.000 -20.362 49.010 43.078 -99.200 -91.000 TYR 183 0.840 -22.100 55.676 48.905 -99.200 -91.000 TYR 199 0.840 -18.079 39.135 30.864 -99.200 -91.000 PHE 203 1.000 -18.027 52.379 24.865 -99.200 -91.000