============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. HIS 3 0.900 -11.466 69.076 8.685 -99.200 -91.000 PHE 11 1.000 -10.268 62.612 23.221 -99.200 -91.000 PHE 14 1.000 -15.237 64.842 24.350 -99.200 -91.000 HIS 24 0.900 -28.372 64.645 23.136 -99.200 -91.000 TYR 36 0.840 -10.185 48.671 5.616 -99.200 -91.000 TYR 48 0.840 -19.853 54.851 9.716 -99.200 -91.000 TYR 51 0.840 -16.826 53.374 14.071 -99.200 -91.000 TRP 67 1.040 -32.893 62.886 14.442 -99.200 -91.000 TRP6 67 1.020 -31.133 63.701 13.146 -99.200 -91.000 PHE 71 1.000 -27.747 65.369 2.298 -99.200 -91.000 HIS 81 0.900 -22.483 63.660 -0.808 -99.200 -91.000 TRP 82 1.040 -23.045 66.252 5.767 -99.200 -91.000 TRP6 82 1.020 -20.721 66.188 5.973 -99.200 -91.000 HIS 84 0.900 -24.179 56.006 7.331 -99.200 -91.000 PHE 86 1.000 -24.238 58.644 14.004 -99.200 -91.000 TYR 90 0.840 -21.307 58.359 23.282 -99.200 -91.000 PHE 96 1.000 -16.712 60.288 22.515 -99.200 -91.000 TYR 104 0.840 -14.174 53.686 19.294 -99.200 -91.000 HIS 110 0.900 -12.868 47.428 10.211 -99.200 -91.000