============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 15 0.840 15.712 2.914 20.136 -99.200 -91.000 PHE 18 1.000 7.024 -7.378 27.511 -99.200 -91.000 TYR 26 0.840 -2.916 -8.302 34.314 -99.200 -91.000 PHE 31 1.000 4.067 -3.330 25.791 -99.200 -91.000 TYR 34 0.840 12.900 8.810 22.165 -99.200 -91.000 HIS 45 0.900 1.177 17.459 23.460 -99.200 -91.000 PHE 48 1.000 -3.036 8.852 19.383 -99.200 -91.000 TYR 50 0.840 -1.518 4.849 23.923 -99.200 -91.000 TYR 60 0.840 13.214 -3.211 14.068 -99.200 -91.000 TRP 70 1.040 6.906 -4.165 1.439 -99.200 -91.000 TRP6 70 1.020 8.830 -3.136 2.318 -99.200 -91.000 HIS 80 0.900 -5.619 0.523 6.174 -99.200 -91.000 TYR 93 0.840 13.032 4.760 -3.524 -99.200 -91.000 PHE 101 1.000 8.553 5.261 7.529 -99.200 -91.000 PHE 105 1.000 10.797 8.633 16.576 -99.200 -91.000 TYR 114 0.840 35.714 -6.450 16.033 -99.200 -91.000 TYR 134 0.840 31.388 -8.350 6.865 -99.200 -91.000 PHE 145 1.000 23.636 1.589 3.034 -99.200 -91.000 PHE 146 1.000 25.948 -2.889 4.790 -99.200 -91.000 TYR 154 0.840 29.084 1.101 2.284 -99.200 -91.000 TRP 158 1.040 23.342 -8.428 -0.188 -99.200 -91.000 TRP6 158 1.020 22.216 -8.931 1.840 -99.200 -91.000 PHE 160 1.000 31.602 -12.692 5.296 -99.200 -91.000 TYR 185 0.840 28.285 -10.900 14.018 -99.200 -91.000 PHE 187 1.000 24.073 -6.536 14.992 -99.200 -91.000 PHE 196 1.000 20.648 1.681 26.465 -99.200 -91.000 TYR 216 0.840 15.531 4.992 14.825 -99.200 -91.000 TYR 226 0.840 -4.893 9.331 13.629 -99.200 -91.000 HIS 244 0.900 19.317 16.941 24.097 -99.200 -91.000 TRP 250 1.040 13.198 6.730 28.135 -99.200 -91.000 TRP6 250 1.020 12.678 4.887 29.515 -99.200 -91.000 TRP 251 1.040 20.447 6.564 23.914 -99.200 -91.000 TRP6 251 1.020 18.209 6.476 23.250 -99.200 -91.000