============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 6 1.000 23.886 -2.829 13.830 -99.200 -91.000 TRP 14 1.040 19.626 -9.013 30.456 -99.200 -91.000 TRP6 14 1.020 20.087 -11.270 29.932 -99.200 -91.000 PHE 15 1.000 18.736 -2.331 26.557 -99.200 -91.000 TYR 19 0.840 12.463 4.952 23.875 -99.200 -91.000 HIS 22 0.900 11.948 16.119 25.404 -99.200 -91.000 TYR 28 0.840 17.831 4.689 24.717 -99.200 -91.000 TRP 39 1.040 10.793 -3.236 42.333 -99.200 -91.000 TRP6 39 1.020 10.948 -0.995 43.075 -99.200 -91.000 HIS 45 0.900 24.914 8.934 34.011 -99.200 -91.000 PHE 47 1.000 16.439 7.564 35.056 -99.200 -91.000 TYR 50 0.840 15.369 17.435 32.181 -99.200 -91.000 TYR 56 0.840 12.440 10.050 33.118 -99.200 -91.000 TYR 59 0.840 8.042 1.378 24.197 -99.200 -91.000 PHE 75 1.000 5.831 -2.864 31.542 -99.200 -91.000 HIS 83 0.900 22.899 5.756 46.984 -99.200 -91.000 TYR 86 0.840 24.704 11.338 40.584 -99.200 -91.000 HIS 93 0.900 28.653 10.603 35.961 -99.200 -91.000 HIS 94 0.900 32.387 9.577 43.343 -99.200 -91.000 TYR 125 0.840 30.787 -6.355 50.330 -99.200 -91.000 PHE 130 1.000 39.056 -7.364 39.506 -99.200 -91.000 PHE 139 1.000 17.906 0.319 21.291 -99.200 -91.000 TYR 147 0.840 23.891 14.024 13.348 -99.200 -91.000 TYR 149 0.840 21.871 8.053 21.430 -99.200 -91.000 HIS 163 0.900 40.011 0.060 42.945 -99.200 -91.000 HIS 170 0.900 50.832 6.965 31.840 -99.200 -91.000 TYR 171 0.840 44.881 1.465 32.425 -99.200 -91.000 TYR 172 0.840 39.106 6.005 33.654 -99.200 -91.000 TRP 188 1.040 43.403 -0.497 24.800 -99.200 -91.000 TRP6 188 1.020 42.394 -0.089 26.898 -99.200 -91.000 TRP 217 1.040 32.679 6.880 35.969 -99.200 -91.000 TRP6 217 1.020 34.998 7.348 35.820 -99.200 -91.000 TYR 230 0.840 30.847 -1.113 32.493 -99.200 -91.000 HIS 235 0.900 31.516 -3.682 46.766 -99.200 -91.000 PHE 236 1.000 26.209 1.137 45.122 -99.200 -91.000 TRP 239 1.040 20.129 2.659 47.615 -99.200 -91.000 TRP6 239 1.020 19.318 2.320 45.419 -99.200 -91.000 HIS 243 0.900 16.150 2.863 48.922 -99.200 -91.000