============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TYR 3 0.840 17.854 33.285 21.806 -99.200 -91.000 PHE 86 1.000 6.619 36.539 -1.979 -99.200 -91.000 PHE 91 1.000 5.503 29.402 7.798 -99.200 -91.000 PHE 100 1.000 -11.356 52.692 22.453 -99.200 -91.000 HIS 106 0.900 -17.174 57.398 30.574 -99.200 -91.000 TRP 112 1.040 -18.906 46.331 21.006 -99.200 -91.000 TRP6 112 1.020 -18.230 45.251 22.998 -99.200 -91.000 HIS 113 0.900 -20.736 47.863 16.382 -99.200 -91.000 PHE 124 1.000 -15.350 34.466 9.792 -99.200 -91.000 TYR 125 0.840 -14.432 39.933 7.292 -99.200 -91.000 TYR 131 0.840 -10.449 26.107 4.849 -99.200 -91.000 TRP 134 1.040 -1.322 27.544 -0.702 -99.200 -91.000 TRP6 134 1.020 -0.968 27.084 -2.989 -99.200 -91.000 HIS 138 0.900 -2.060 23.763 -2.289 -99.200 -91.000 PHE 153 1.000 -7.139 44.818 28.214 -99.200 -91.000 HIS 158 0.900 -12.633 48.539 23.702 -99.200 -91.000 TYR 167 0.840 -7.491 30.177 24.048 -99.200 -91.000 TRP 177 1.040 -10.720 25.441 8.585 -99.200 -91.000 TRP6 177 1.020 -9.984 27.688 8.480 -99.200 -91.000 TYR 193 0.840 10.297 50.715 24.398 -99.200 -91.000 TYR 201 0.840 -0.846 51.305 26.759 -99.200 -91.000 TRP 204 1.040 -1.816 60.466 32.268 -99.200 -91.000 TRP6 204 1.020 -0.523 61.708 33.770 -99.200 -91.000 PHE 208 1.000 0.531 50.326 30.868 -99.200 -91.000 PHE 209 1.000 4.343 50.664 27.281 -99.200 -91.000 PHE 213 1.000 9.406 48.513 38.319 -99.200 -91.000 PHE 233 1.000 8.982 25.561 19.135 -99.200 -91.000 PHE 241 1.000 0.773 14.787 17.646 -99.200 -91.000 TYR 256 0.840 2.479 40.015 41.072 -99.200 -91.000 HIS 258 0.900 -4.196 43.807 43.330 -99.200 -91.000 TYR 260 0.840 3.751 35.694 46.622 -99.200 -91.000 HIS 265 0.900 12.956 39.851 40.330 -99.200 -91.000 TRP 268 1.040 12.351 37.442 33.686 -99.200 -91.000 TRP6 268 1.020 11.123 35.862 34.974 -99.200 -91.000 PHE 285 1.000 8.004 53.416 39.726 -99.200 -91.000