============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. HIS 2 0.900 -9.076 -7.810 57.882 -99.200 -91.000 PHE 8 1.000 2.684 -1.232 47.637 -99.200 -91.000 HIS 32 0.900 3.892 -4.320 59.947 -99.200 -91.000 HIS 45 0.900 -1.744 21.804 46.949 -99.200 -91.000 PHE 92 1.000 6.347 -18.230 37.466 -99.200 -91.000 PHE 103 1.000 10.084 -11.247 49.135 -99.200 -91.000 HIS 116 0.900 -2.044 0.795 36.989 -99.200 -91.000 TYR 121 0.840 -0.500 -8.398 31.656 -99.200 -91.000 PHE 123 1.000 -3.507 -9.180 41.563 -99.200 -91.000 PHE 143 1.000 -6.748 -12.658 52.497 -99.200 -91.000 TYR 160 0.840 -8.877 6.478 36.653 -99.200 -91.000 TYR 166 0.840 5.491 9.160 39.550 -99.200 -91.000 TYR 170 0.840 3.748 11.718 43.703 -99.200 -91.000 TRP 171 1.040 1.477 18.782 39.249 -99.200 -91.000 TRP6 171 1.020 1.419 21.124 39.562 -99.200 -91.000 HIS 178 0.900 5.508 0.316 29.945 -99.200 -91.000 TRP 193 1.040 -2.321 11.733 47.066 -99.200 -91.000 TRP6 193 1.020 -4.524 11.168 46.411 -99.200 -91.000 TRP 201 1.040 -11.099 0.496 48.223 -99.200 -91.000 TRP6 201 1.020 -10.024 -1.117 46.865 -99.200 -91.000 HIS 205 0.900 -13.652 -2.350 48.856 -99.200 -91.000 PHE 209 1.000 -2.828 -15.033 43.024 -99.200 -91.000 TYR 216 0.840 -2.020 -18.414 28.737 -99.200 -91.000