============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. TYR 6 0.840 21.377 -3.524 38.114 -99.200 -91.000 PHE 7 1.000 24.290 1.470 47.281 -99.200 -91.000 TYR 12 0.840 25.599 8.796 43.612 -99.200 -91.000 TRP 25 1.040 21.533 8.776 24.469 -99.200 -91.000 TRP6 25 1.020 20.132 10.068 25.886 -99.200 -91.000 TRP 27 1.040 17.146 6.109 25.402 -99.200 -91.000 TRP6 27 1.020 15.512 4.586 24.618 -99.200 -91.000 HIS 45 0.900 9.121 5.700 36.112 -99.200 -91.000 TRP 48 1.040 12.024 2.196 32.179 -99.200 -91.000 TRP6 48 1.020 12.810 2.892 30.043 -99.200 -91.000 TRP 53 1.040 16.819 15.391 28.317 -99.200 -91.000 TRP6 53 1.020 18.924 14.580 29.084 -99.200 -91.000 TYR 61 0.840 16.094 9.839 28.895 -99.200 -91.000 PHE 69 1.000 22.624 0.448 35.513 -99.200 -91.000 TYR 77 0.840 24.199 16.260 41.272 -99.200 -91.000