============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 91 rings ring int. center anis. iso. TRP 13 1.040 -51.818 25.692 42.870 -99.200 -91.000 TRP6 13 1.020 -50.454 27.425 43.760 -99.200 -91.000 PHE 17 1.000 -55.329 20.843 38.726 -99.200 -91.000 TYR 23 0.840 -44.697 19.645 35.193 -99.200 -91.000 TYR 36 0.840 -48.075 41.189 32.892 -99.200 -91.000 PHE 38 1.000 -43.752 42.435 27.676 -99.200 -91.000 TRP 46 1.040 -30.816 53.671 29.780 -99.200 -91.000 TRP6 46 1.020 -29.823 51.743 30.749 -99.200 -91.000 TRP 73 1.040 -50.197 24.302 37.196 -99.200 -91.000 TRP6 73 1.020 -50.321 22.614 38.856 -99.200 -91.000 HIS 93 0.900 -38.640 31.384 23.000 -99.200 -91.000 TRP 94 1.040 -43.936 34.582 24.845 -99.200 -91.000 TRP6 94 1.020 -44.078 36.710 25.885 -99.200 -91.000 HIS 95 0.900 -34.966 29.972 27.587 -99.200 -91.000 HIS 104 0.900 -50.436 33.143 20.297 -99.200 -91.000 TYR 124 0.840 -45.749 37.531 20.993 -99.200 -91.000 TRP 126 1.040 -47.428 33.132 26.875 -99.200 -91.000 TRP6 126 1.020 -46.957 32.687 29.149 -99.200 -91.000 TYR 131 0.840 -45.757 23.489 39.467 -99.200 -91.000 TRP 135 1.040 -34.758 33.233 30.099 -99.200 -91.000 TRP6 135 1.020 -33.273 34.580 28.835 -99.200 -91.000 TYR 136 0.840 -40.435 39.325 29.350 -99.200 -91.000 HIS 137 0.900 -34.726 35.211 24.610 -99.200 -91.000 HIS 139 0.900 -34.942 33.405 19.317 -99.200 -91.000 PHE 140 1.000 -35.028 42.125 14.018 -99.200 -91.000 TYR 144 0.840 -30.805 37.422 24.724 -99.200 -91.000 TYR 162 0.840 -41.443 28.530 49.287 -99.200 -91.000 PHE 169 1.000 -30.349 37.908 43.526 -99.200 -91.000 TYR 174 0.840 -24.515 47.139 31.682 -99.200 -91.000 TYR 175 0.840 -21.089 41.485 26.794 -99.200 -91.000 TYR 176 0.840 -19.397 49.616 30.153 -99.200 -91.000 HIS 184 0.900 -18.665 44.192 11.644 -99.200 -91.000 PHE 185 1.000 -14.425 42.095 18.709 -99.200 -91.000 PHE 193 1.000 -12.525 37.440 30.308 -99.200 -91.000 TYR 213 0.840 -20.955 45.833 46.191 -99.200 -91.000 HIS 224 0.900 -35.310 34.123 53.971 -99.200 -91.000 HIS 236 0.900 -22.224 29.655 29.214 -99.200 -91.000 PHE 237 1.000 -23.363 35.191 34.808 -99.200 -91.000 HIS 244 0.900 -25.773 32.327 54.844 -99.200 -91.000 PHE 265 1.000 -22.038 26.257 34.184 -99.200 -91.000 TYR 272 0.840 -29.794 24.924 38.741 -99.200 -91.000 TYR 285 0.840 -23.344 35.989 56.600 -99.200 -91.000 TRP 286 1.040 -18.420 40.194 50.113 -99.200 -91.000 TRP6 286 1.020 -19.270 42.203 49.194 -99.200 -91.000 PHE 287 1.000 -25.898 35.075 44.705 -99.200 -91.000 PHE 291 1.000 -17.450 34.963 34.670 -99.200 -91.000 HIS 304 0.900 -12.572 39.398 43.169 -99.200 -91.000 PHE 309 1.000 -28.533 36.931 49.077 -99.200 -91.000 HIS 310 0.900 -28.835 44.087 56.578 -99.200 -91.000 TYR 311 0.840 -28.608 36.170 58.357 -99.200 -91.000 HIS 329 0.900 -20.007 24.332 39.969 -99.200 -91.000 PHE 350 1.000 -28.329 6.854 20.305 -99.200 -91.000 PHE 370 1.000 -13.822 33.176 15.003 -99.200 -91.000 TRP 372 1.040 -20.177 29.159 16.030 -99.200 -91.000 TRP6 372 1.020