============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. HIS 6 0.900 -7.661 -27.319 50.052 -99.200 -91.000 TYR 14 0.840 -5.806 -29.618 36.857 -99.200 -91.000 PHE 30 1.000 -11.235 -25.655 37.915 -99.200 -91.000 PHE 54 1.000 -10.135 -25.911 28.868 -99.200 -91.000 TYR 55 0.840 -10.299 -28.746 33.052 -99.200 -91.000 PHE 80 1.000 -0.348 -27.293 38.454 -99.200 -91.000 PHE 82 1.000 0.449 -28.983 33.792 -99.200 -91.000 PHE 86 1.000 -1.823 -34.247 22.660 -99.200 -91.000 TYR 88 0.840 -5.670 -36.594 15.683 -99.200 -91.000 HIS 100 0.900 -1.530 -17.985 39.817 -99.200 -91.000 PHE 101 1.000 -5.042 -25.419 39.913 -99.200 -91.000 PHE 103 1.000 -6.088 -23.672 45.478 -99.200 -91.000 PHE 116 1.000 -0.196 -24.346 26.510 -99.200 -91.000 HIS 122 0.900 9.258 -29.253 24.225 -99.200 -91.000