============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 6 1.000 6.482 6.201 19.396 -99.200 -91.000 PHE 20 1.000 2.154 -1.299 18.852 -99.200 -91.000 TYR 31 0.840 1.804 5.744 20.580 -99.200 -91.000 HIS 34 0.900 -6.012 9.319 21.542 -99.200 -91.000 PHE 38 1.000 6.211 10.696 15.839 -99.200 -91.000 TYR 45 0.840 16.232 13.274 6.720 -99.200 -91.000 TYR 46 0.840 10.782 12.601 13.903 -99.200 -91.000 TYR 47 0.840 15.081 2.850 12.726 -99.200 -91.000 PHE 48 1.000 8.416 7.060 13.158 -99.200 -91.000 PHE 50 1.000 6.747 -3.678 12.640 -99.200 -91.000 TRP 56 1.040 -2.600 -18.746 15.859 -99.200 -91.000 TRP6 56 1.020 -2.341 -21.080 15.577 -99.200 -91.000 PHE 76 1.000 9.547 -4.524 7.368 -99.200 -91.000 PHE 85 1.000 4.254 -16.692 23.202 -99.200 -91.000 TRP 103 1.040 -1.451 4.283 10.710 -99.200 -91.000 TRP6 103 1.020 -1.540 6.313 9.496 -99.200 -91.000 HIS 112 0.900 -2.551 -14.525 17.013 -99.200 -91.000 TYR 114 0.840 0.503 -13.405 24.225 -99.200 -91.000 PHE 123 1.000 4.824 2.747 16.145 -99.200 -91.000 PHE 126 1.000 15.556 6.258 17.631 -99.200 -91.000 PHE 129 1.000 19.559 14.474 9.950 -99.200 -91.000