============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 27 1.000 -26.364 69.726 26.860 -99.200 -91.000 PHE 29 1.000 -31.845 66.602 26.256 -99.200 -91.000 TYR 32 0.840 -28.586 74.651 26.912 -99.200 -91.000 TRP 33 1.040 -35.774 76.327 22.259 -99.200 -91.000 TRP6 33 1.020 -37.459 76.465 20.602 -99.200 -91.000 TRP 36 1.040 -32.705 65.127 15.452 -99.200 -91.000 TRP6 36 1.020 -31.054 63.461 15.636 -99.200 -91.000 TRP 47 1.040 -32.916 73.645 11.210 -99.200 -91.000 TRP6 47 1.020 -35.229 74.067 11.152 -99.200 -91.000 TYR 60 0.840 -41.001 68.243 12.367 -99.200 -91.000 PHE 68 1.000 -37.193 64.676 7.320 -99.200 -91.000 TYR 80 0.840 -35.543 59.250 21.874 -99.200 -91.000 TYR 94 0.840 -30.115 61.907 8.578 -99.200 -91.000 TYR 95 0.840 -23.182 66.113 11.053 -99.200 -91.000 PHE 101 1.000 -34.838 80.259 21.426 -99.200 -91.000 TYR 104 0.840 -34.202 88.906 28.799 -99.200 -91.000 HIS 106 0.900 -33.241 91.329 19.596 -99.200 -91.000 TYR 107 0.840 -25.654 84.014 20.845 -99.200 -91.000 TYR 111 0.840 -20.728 72.782 23.361 -99.200 -91.000 TRP 112 1.040 -22.885 71.837 15.308 -99.200 -91.000 TRP6 112 1.020 -23.895 71.583 13.196 -99.200 -91.000 PHE 131 1.000 -6.285 43.291 -1.236 -99.200 -91.000 TYR 154 0.840 -15.344 50.987 2.049 -99.200 -91.000 PHE 155 1.000 -23.505 50.069 -0.699 -99.200 -91.000 TRP 163 1.040 -2.171 53.908 9.676 -99.200 -91.000 TRP6 163 1.020 -1.075 52.210 8.469 -99.200 -91.000 HIS 173 0.900 -1.498 63.205 5.037 -99.200 -91.000 PHE 175 1.000 -4.561 60.207 0.359 -99.200 -91.000 TYR 185 0.840 -18.934 54.342 -1.422 -99.200 -91.000 TYR 203 0.840 6.057 51.491 10.407 -99.200 -91.000 HIS 209 0.900 -18.138 48.020 5.960 -99.200 -91.000