============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 19 1.000 -4.022 8.924 -1.041 -99.200 -91.000 TRP 22 1.040 -2.596 14.971 -3.231 -99.200 -91.000 TRP6 22 1.020 -4.485 13.637 -3.591 -99.200 -91.000 TYR 67 0.840 -20.218 -3.408 -4.172 -99.200 -91.000 TRP 81 1.040 0.163 -1.659 -6.753 -99.200 -91.000 TRP6 81 1.020 -1.601 -3.073 -7.338 -99.200 -91.000 TYR 85 0.840 9.179 -6.568 0.893 -99.200 -91.000 TYR 98 0.840 9.279 -16.050 16.803 -99.200 -91.000 PHE 100 1.000 2.422 -8.688 10.961 -99.200 -91.000 TYR 112 0.840 -1.015 -17.748 -2.652 -99.200 -91.000 TYR 113 0.840 7.146 -16.843 -0.196 -99.200 -91.000 TYR 121 0.840 11.096 -21.506 6.114 -99.200 -91.000 TYR 125 0.840 0.517 -18.009 14.044 -99.200 -91.000 PHE 127 1.000 7.667 -11.953 20.479 -99.200 -91.000 PHE 151 1.000 4.868 -1.562 12.507 -99.200 -91.000 HIS 170 0.900 11.014 -14.019 -7.073 -99.200 -91.000 PHE 179 1.000 -2.377 -12.122 -3.690 -99.200 -91.000 TYR 186 0.840 -15.732 6.326 -7.250 -99.200 -91.000 TYR 192 0.840 -15.793 16.701 -8.085 -99.200 -91.000 PHE 196 1.000 -8.890 11.394 -5.210 -99.200 -91.000 TYR 210 0.840 11.294 15.311 -7.146 -99.200 -91.000 HIS 216 0.900 14.108 15.136 5.195 -99.200 -91.000 HIS 221 0.900 3.233 18.078 6.839 -99.200 -91.000 PHE 224 1.000 4.741 6.507 7.780 -99.200 -91.000 TYR 240 0.840 1.486 1.463 -11.380 -99.200 -91.000 TYR 241 0.840 -5.212 5.140 -8.859 -99.200 -91.000 PHE 253 1.000 -5.856 -9.134 -0.405 -99.200 -91.000 TYR 260 0.840 -6.632 -20.439 3.758 -99.200 -91.000 PHE 274 1.000 -14.935 -3.665 -4.281 -99.200 -91.000