============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. TYR 13 0.840 -4.203 -32.687 -2.164 -99.200 -91.000 TYR 18 0.840 3.347 -42.943 0.414 -99.200 -91.000 TYR 22 0.840 -3.876 -53.253 -8.349 -99.200 -91.000 TYR 29 0.840 -7.871 -53.143 -11.333 -99.200 -91.000 TYR 33 0.840 -9.338 -44.167 -8.146 -99.200 -91.000 PHE 44 1.000 2.304 -29.220 -23.639 -99.200 -91.000 PHE 56 1.000 -18.365 -45.707 -15.528 -99.200 -91.000 TYR 57 0.840 -14.217 -42.327 -8.509 -99.200 -91.000 TYR 62 0.840 -1.266 -33.115 -15.078 -99.200 -91.000 PHE 73 1.000 15.520 -21.347 -26.854 -99.200 -91.000 TYR 87 0.840 8.574 -31.134 -13.091 -99.200 -91.000 PHE 90 1.000 2.367 -31.408 -12.856 -99.200 -91.000 TYR 104 0.840 -21.483 -22.478 -8.883 -99.200 -91.000 TYR 115 0.840 6.952 -36.953 -3.941 -99.200 -91.000 TYR 119 0.840 -1.299 -41.905 -12.896 -99.200 -91.000 TYR 122 0.840 -9.472 -32.848 -11.856 -99.200 -91.000 TYR 124 0.840 -17.358 -40.111 -17.328 -99.200 -91.000 PHE 133 1.000 -12.195 -26.804 -34.078 -99.200 -91.000 TYR 136 0.840 -17.880 -29.177 -38.713 -99.200 -91.000 PHE 137 1.000 -15.661 -24.729 -31.194 -99.200 -91.000 PHE 138 1.000 -18.397 -32.695 -33.126 -99.200 -91.000 TYR 144 0.840 -28.605 -37.268 -36.849 -99.200 -91.000 PHE 147 1.000 -26.457 -23.867 -35.152 -99.200 -91.000 PHE 164 1.000 -14.911 -16.511 -16.036 -99.200 -91.000 TYR 166 0.840 -13.084 -21.026 -5.517 -99.200 -91.000 HIS 168 0.900 -12.120 -13.868 -12.668 -99.200 -91.000 HIS 175 0.900 -9.367 -21.650 -17.251 -99.200 -91.000 PHE 196 1.000 -8.530 -24.772 -12.446 -99.200 -91.000 TYR 201 0.840 -2.134 -18.728 -7.070 -99.200 -91.000 TYR 214 0.840 -1.338 -19.216 -30.743 -99.200 -91.000 PHE 216 1.000 -11.530 -19.916 -27.528 -99.200 -91.000 PHE 221 1.000 -3.365 -11.689 -23.810 -99.200 -91.000 PHE 222 1.000 -3.450 -9.945 -30.511 -99.200 -91.000 TYR 228 0.840 -1.458 -7.883 -21.534 -99.200 -91.000 TRP 236 1.040 -11.515 -11.888 -26.063 -99.200 -91.000 TRP6 236 1.020 -12.284 -10.193 -27.520 -99.200 -91.000 TYR 243 0.840 -19.263 -14.925 -33.032 -99.200 -91.000 PHE 246 1.000 -25.427 -16.011 -28.653 -99.200 -91.000 TYR 247 0.840 -23.766 -16.050 -34.567 -99.200 -91.000 PHE 252 1.000 -12.865 -10.805 -33.895 -99.200 -91.000 PHE 262 1.000 -1.962 -14.070 -32.956 -99.200 -91.000 TYR 272 0.840 -21.574 -9.708 -32.581 -99.200 -91.000 HIS 278 0.900 -20.054 -16.602 -39.517 -99.200 -91.000 PHE 279 1.000 -21.455 -26.120 -38.859 -99.200 -91.000 TYR 281 0.840 -22.942 -21.444 -49.362 -99.200 -91.000 PHE 286 1.000 -34.459 -16.762 -37.288 -99.200 -91.000 PHE 294 1.000 -25.138 -11.510 -20.976 -99.200 -91.000 PHE 298 1.000 -20.030 -12.158 -21.279 -99.200 -91.000 HIS 315 0.900 -27.733 -7.932 -19.396 -99.200 -91.000 TRP 317 1.040 -29.279 -12.880 -23.081 -99.200 -91.000 TRP6 317 1.020 -27.790 -14.715 -23.174 -99.200 -91.000 PHE 329 1.000 -28.356 -29.364 -24.474 -99.200 -91.000 TYR 334 0.840 -25.364 -40.284 -19.296 -99.200 -91.000