============================================================================= 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. TYR 16 0.840 -19.875 43.602 31.371 -99.200 -91.000 TYR 19 0.840 -6.122 42.244 38.187 -99.200 -91.000 TYR 27 0.840 0.174 48.907 46.348 -99.200 -91.000 PHE 32 1.000 -9.941 44.905 41.341 -99.200 -91.000 TYR 35 0.840 -21.945 48.947 32.562 -99.200 -91.000 PHE 49 1.000 -22.911 51.157 48.458 -99.200 -91.000 TYR 51 0.840 -17.130 51.240 46.138 -99.200 -91.000 TYR 61 0.840 -19.414 35.368 35.340 -99.200 -91.000 TRP 70 1.040 -26.854 27.569 44.040 -99.200 -91.000 TRP6 70 1.020 -27.135 28.432 41.857 -99.200 -91.000 HIS 80 0.900 -26.200 36.339 54.671 -99.200 -91.000 TYR 93 0.840 -38.114 29.595 38.593 -99.200 -91.000 PHE 101 1.000 -30.107 37.559 40.333 -99.200 -91.000 PHE 105 1.000 -26.052 45.775 35.665 -99.200 -91.000 TYR 114 0.840 -17.263 29.170 13.389 -99.200 -91.000 TYR 134 0.840 -21.296 22.561 19.461 -99.200 -91.000 PHE 145 1.000 -30.681 28.183 27.054 -99.200 -91.000 PHE 146 1.000 -26.430 25.854 24.895 -99.200 -91.000 TYR 154 0.840 -31.268 25.706 21.995 -99.200 -91.000 TRP 158 1.040 -25.397 19.106 28.995 -99.200 -91.000 TRP6 158 1.020 -23.647 20.419 29.916 -99.200 -91.000 PHE 160 1.000 -19.456 18.065 19.608 -99.200 -91.000 TYR 185 0.840 -14.629 26.527 21.522 -99.200 -91.000 TYR 196 0.840 -14.985 44.898 25.016 -99.200 -91.000 TYR 216 0.840 -25.018 40.719 31.987 -99.200 -91.000 TYR 226 0.840 -26.992 47.868 51.793 -99.200 -91.000 HIS 244 0.900 -26.448 56.474 25.436 -99.200 -91.000 TRP 250 1.040 -16.502 51.418 31.006 -99.200 -91.000 TRP6 250 1.020 -14.181 51.280 31.469 -99.200 -91.000 TRP 251 1.040 -20.022 46.984 24.929 -99.200 -91.000 TRP6 251 1.020 -20.211 46.951 27.288 -99.200 -91.000