============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 6 1.000 -5.387 3.311 13.958 -99.200 -91.000 HIS 23 0.900 -6.618 9.328 0.689 -99.200 -91.000 HIS 24 0.900 0.215 13.738 -1.666 -99.200 -91.000 TYR 29 0.840 -6.483 13.315 9.496 -99.200 -91.000 TYR 50 0.840 0.166 -1.145 3.874 -99.200 -91.000 PHE 64 1.000 -9.291 5.341 27.714 -99.200 -91.000 PHE 67 1.000 -3.177 9.179 20.874 -99.200 -91.000 TYR 69 0.840 -12.647 10.701 16.135 -99.200 -91.000 PHE 71 1.000 -10.280 5.055 14.905 -99.200 -91.000 TYR 78 0.840 -17.006 -0.654 21.019 -99.200 -91.000 TYR 79 0.840 -19.170 -4.263 23.744 -99.200 -91.000 TYR 89 0.840 -11.755 12.536 28.102 -99.200 -91.000 PHE 94 1.000 -16.051 6.355 16.474 -99.200 -91.000 PHE 99 1.000 -14.840 4.308 11.003 -99.200 -91.000 TYR 112 0.840 -1.084 -16.809 14.818 -99.200 -91.000 PHE 117 1.000 1.080 -13.728 10.132 -99.200 -91.000 HIS 118 0.900 -0.208 -11.413 2.060 -99.200 -91.000