============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 6 1.000 26.213 4.306 5.430 -99.200 -91.000 TRP 13 1.040 30.857 3.478 15.971 -99.200 -91.000 TRP6 13 1.020 28.624 3.092 16.635 -99.200 -91.000 TYR 14 0.840 26.645 -3.536 16.920 -99.200 -91.000 TYR 17 0.840 34.261 2.989 19.610 -99.200 -91.000 TRP 24 1.040 16.441 -4.801 22.956 -99.200 -91.000 TRP6 24 1.020 15.736 -3.521 24.817 -99.200 -91.000 TYR 31 0.840 6.962 -12.878 22.691 -99.200 -91.000 TRP 34 1.040 5.791 -7.728 17.585 -99.200 -91.000 TRP6 34 1.020 4.493 -8.801 19.243 -99.200 -91.000 TYR 51 0.840 7.084 0.070 31.873 -99.200 -91.000 PHE 52 1.000 12.572 -7.434 26.130 -99.200 -91.000 PHE 55 1.000 4.225 -6.061 28.424 -99.200 -91.000 PHE 59 1.000 1.743 -10.997 29.141 -99.200 -91.000 HIS 75 0.900 -1.670 -3.387 36.418 -99.200 -91.000 TRP 77 1.040 2.081 0.138 26.688 -99.200 -91.000 TRP6 77 1.020 3.505 -1.184 25.345 -99.200 -91.000 TYR 82 0.840 2.897 8.450 22.232 -99.200 -91.000 TYR 83 0.840 -1.493 3.316 28.060 -99.200 -91.000 HIS 90 0.900 -4.524 -9.141 24.049 -99.200 -91.000 HIS 100 0.900 1.018 -16.548 10.820 -99.200 -91.000 PHE 104 1.000 6.388 -12.213 15.762 -99.200 -91.000 PHE 108 1.000 9.043 -7.198 4.804 -99.200 -91.000 HIS 133 0.900 20.415 -11.990 3.143 -99.200 -91.000 PHE 134 1.000 13.473 -9.268 4.785 -99.200 -91.000 TYR 149 0.840 24.719 8.180 1.025 -99.200 -91.000 TRP 154 1.040 8.170 16.291 6.231 -99.200 -91.000 TRP6 154 1.020 5.870 16.087 5.716 -99.200 -91.000 TRP 165 1.040 11.384 2.836 2.897 -99.200 -91.000 TRP6 165 1.020 12.110 1.121 4.360 -99.200 -91.000 PHE 180 1.000 24.202 -1.080 7.665 -99.200 -91.000 TRP 216 1.040 24.718 19.807 12.406 -99.200 -91.000 TRP6 216 1.020 22.982 20.507 13.848 -99.200 -91.000 TYR 219 0.840 21.218 17.979 4.085 -99.200 -91.000