============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 14 1.000 -0.314 42.545 40.975 -99.200 -91.000 TYR 32 0.840 15.900 26.305 11.029 -99.200 -91.000 HIS 34 0.900 16.488 29.846 16.566 -99.200 -91.000 TRP 35 1.040 10.621 32.995 21.485 -99.200 -91.000 TRP6 35 1.020 9.377 34.968 21.812 -99.200 -91.000 TYR 36 0.840 18.858 34.780 20.726 -99.200 -91.000 TRP 47 1.040 14.497 32.171 28.675 -99.200 -91.000 TRP6 47 1.020 16.315 32.267 30.159 -99.200 -91.000 TYR 49 0.840 17.228 24.508 20.831 -99.200 -91.000 PHE 62 1.000 10.851 31.679 31.309 -99.200 -91.000 TYR 71 0.840 6.676 31.494 14.548 -99.200 -91.000 TYR 86 0.840 11.910 37.161 28.627 -99.200 -91.000 TYR 87 0.840 15.611 42.576 22.659 -99.200 -91.000 HIS 89 0.900 18.304 36.190 15.200 -99.200 -91.000 PHE 91 1.000 20.316 32.111 11.929 -99.200 -91.000 HIS 92 0.900 11.617 30.640 6.912 -99.200 -91.000 HIS 93 0.900 15.532 34.497 2.333 -99.200 -91.000 TYR 96 0.840 19.731 34.361 8.344 -99.200 -91.000 PHE 98 1.000 18.660 39.686 16.936 -99.200 -91.000 PHE 118 1.000 20.834 67.268 47.436 -99.200 -91.000 PHE 135 1.000 19.635 63.306 42.831 -99.200 -91.000 PHE 139 1.000 9.140 57.888 39.971 -99.200 -91.000 TYR 140 0.840 4.655 50.340 39.722 -99.200 -91.000 TRP 148 1.040 13.423 72.080 37.035 -99.200 -91.000 TRP6 148 1.020 14.050 71.810 39.291 -99.200 -91.000 TRP 163 1.040 12.217 58.940 34.159 -99.200 -91.000 TRP6 163 1.020 12.383 60.837 32.767 -99.200 -91.000 TYR 173 0.840 9.946 52.056 36.812 -99.200 -91.000 TYR 186 0.840 21.514 80.021 41.921 -99.200 -91.000 HIS 189 0.900 15.671 85.157 37.933 -99.200 -91.000 TYR 192 0.840 16.594 79.301 41.838 -99.200 -91.000 HIS 198 0.900 3.649 59.046 41.185 -99.200 -91.000 PHE 209 1.000 17.280 76.246 46.726 -99.200 -91.000