============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 3 0.840 -8.120 9.286 -7.953 -99.200 -91.000 PHE 7 1.000 -3.403 18.801 0.292 -99.200 -91.000 HIS 14 0.900 2.850 26.169 -2.951 -99.200 -91.000 HIS 22 0.900 8.732 35.135 -10.721 -99.200 -91.000 PHE 41 1.000 -11.993 37.052 -7.322 -99.200 -91.000 PHE 42 1.000 -9.929 37.089 -15.495 -99.200 -91.000 PHE 47 1.000 1.819 39.095 -15.316 -99.200 -91.000 PHE 53 1.000 0.437 24.898 -16.563 -99.200 -91.000 HIS 72 0.900 5.437 13.890 -25.578 -99.200 -91.000 HIS 77 0.900 7.300 19.317 -19.451 -99.200 -91.000 TYR 83 0.840 15.014 28.830 -15.519 -99.200 -91.000 TYR 93 0.840 19.691 15.407 -26.377 -99.200 -91.000 TYR 111 0.840 14.618 29.515 -21.321 -99.200 -91.000 TYR 117 0.840 11.980 21.860 -35.105 -99.200 -91.000 HIS 141 0.900 3.730 12.393 -20.930 -99.200 -91.000 TYR 195 0.840 -17.472 24.420 -13.030 -99.200 -91.000 TYR 206 0.840 -18.443 17.581 -24.127 -99.200 -91.000 TYR 218 0.840 -8.654 11.909 -39.048 -99.200 -91.000 TRP 236 1.040 -10.254 8.164 -17.943 -99.200 -91.000 TRP6 236 1.020 -12.096 9.570 -18.147 -99.200 -91.000 PHE 247 1.000 -18.766 24.526 -18.213 -99.200 -91.000 TRP 262 1.040 -3.841 39.275 -26.291 -99.200 -91.000 TRP6 262 1.020 -3.565 38.855 -28.560 -99.200 -91.000 HIS 283 0.900 -23.810 23.665 -21.095 -99.200 -91.000 PHE 284 1.000 -18.878 29.012 -16.139 -99.200 -91.000 TRP 311 1.040 -5.286 34.764 -34.130 -99.200 -91.000 TRP6 311 1.020 -5.970 35.660 -32.114 -99.200 -91.000