============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 67 rings ring int. center anis. iso. PHE 12 1.000 8.394 -29.187 -32.423 -99.200 -91.000 TYR 13 0.840 13.231 -31.729 -39.363 -99.200 -91.000 PHE 19 1.000 12.137 -20.133 -39.202 -99.200 -91.000 PHE 22 1.000 10.865 -16.940 -31.248 -99.200 -91.000 TYR 25 0.840 7.110 -23.811 -35.356 -99.200 -91.000 TYR 28 0.840 2.921 -26.831 -34.061 -99.200 -91.000 HIS 35 0.900 4.991 -27.381 -22.661 -99.200 -91.000 TRP 48 1.040 15.370 -17.872 -41.843 -99.200 -91.000 TRP6 48 1.020 17.072 -18.295 -40.240 -99.200 -91.000 TYR 54 0.840 27.678 -16.995 -40.887 -99.200 -91.000 PHE 77 1.000 34.210 -33.442 -13.691 -99.200 -91.000 TYR 80 0.840 37.146 -22.540 -9.414 -99.200 -91.000 PHE 92 1.000 37.992 -18.875 -29.883 -99.200 -91.000 TYR 101 0.840 44.474 -24.676 -26.625 -99.200 -91.000 TYR 106 0.840 33.930 -37.276 -33.228 -99.200 -91.000 PHE 109 1.000 27.053 -37.168 -28.443 -99.200 -91.000 TYR 116 0.840 32.648 -32.094 -21.955 -99.200 -91.000 TRP 117 1.040 30.669 -35.856 -19.807 -99.200 -91.000 TRP6 117 1.020 30.328 -34.176 -18.166 -99.200 -91.000 PHE 122 1.000 43.314 -34.823 -17.471 -99.200 -91.000 TYR 127 0.840 32.028 -20.985 -24.866 -99.200 -91.000 TYR 136 0.840 19.621 -13.899 -36.710 -99.200 -91.000 HIS 139 0.900 18.763 -8.455 -45.553 -99.200 -91.000 TRP 143 1.040 11.719 -18.361 -35.995 -99.200 -91.000 TRP6 143 1.020 12.077 -20.184 -34.527 -99.200 -91.000 TYR 170 0.840 25.992 -11.919 -23.697 -99.200 -91.000 TYR 172 0.840 27.143 -17.573 -25.573 -99.200 -91.000 PHE 173 1.000 32.767 -15.440 -32.259 -99.200 -91.000 TRP 176 1.040 38.358 -31.194 -27.662 -99.200 -91.000 TRP6 176 1.020 36.475 -32.579 -27.171 -99.200 -91.000 PHE 180 1.000 25.798 -25.294 -23.220 -99.200 -91.000 TRP 182 1.040 24.237 -30.137 -15.515 -99.200 -91.000 TRP6 182 1.020 22.378 -30.764 -16.827 -99.200 -91.000 HIS 183 0.900 22.798 -22.312 -18.252 -99.200 -91.000 TYR 190 0.840 9.335 -19.708 -23.050 -99.200 -91.000 TYR 194 0.840 21.165 -19.937 -36.840 -99.200 -91.000 HIS 196 0.900 24.743 -16.597 -36.422 -99.200 -91.000 PHE 197 1.000 31.158 -19.314 -37.927 -99.200 -91.000 TRP 203 1.040 22.470 -27.609 -27.004 -99.200 -91.000 TRP6 203 1.020 21.662 -25.665 -25.903 -99.200 -91.000 TYR 204 0.840 25.223 -34.056 -21.613 -99.200 -91.000 HIS 210 0.900 10.955 -35.419 -13.734 -99.200 -91.000 PHE 221 1.000 26.090 -35.192 -6.094 -99.200 -91.000 PHE 222 1.000 29.256 -29.454 -6.818 -99.200 -91.000 PHE 232 1.000 25.213 -24.795 -5.915 -99.200 -91.000 HIS 235 0.900 27.314 -18.533 -7.894 -99.200 -91.000 TYR 248 0.840 23.817 -40.054 -6.386 -99.200 -91.000 PHE 252 1.000 20.810 -38.014 -18.708 -99.200 -91.000 PHE 262 1.000 16.830 -20.344 -35.220 -99.200 -91.000 PHE 266 1.000 10.301 -25.128 -24.567 -99.200 -91.000 TYR 268 0.840 13.012 -25.022 -11.977 -99.200 -91.000 TYR 270 0.840 18.353 -26.206 -12.957 -99.200 -91.000 HIS 271 0.900 19.835 -24.371 -20.779 -99.200 -91.000 PHE 274 1.000 30.265 -32.325 -25.192 -99.200 -91.000 HIS 276 0.900 30.210 -32.253 -31.057 -99.200 -91.000 PHE 278 1.000 36.111 -20.858 -35.353 -99.200 -91.000 PHE 286 1.000 11.791 -17.518 -26.499 -99.200 -91.000 TRP 291 1.040 9.665 -15.672 -17.587 -99.200 -91.000 TRP6 291 1.020 9.384 -13.329 -17.380 -99.200 -91.000 TYR 294 0.840 7.733 -21.687 -15.333 -99.200 -91.000 PHE 315 1.000 7.113 -8.769 -18.171 -99.200 -91.000 PHE 319 1.000 0.983 -9.585 -20.569 -99.200 -91.000 TYR 324 0.840 -0.056 -4.665 -9.041 -99.200 -91.000 TRP 327 1.040 3.574 -10.869 -7.322 -99.200 -91.000 TRP6 327 1.020 4.456 -8.821 -8.126 -99.200 -91.000 HIS 338 0.900 7.539 -26.753 -13.371 -99.200 -91.000 PHE 348 1.000 -0.900 -22.993 -33.156 -99.200 -91.000