============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. TYR 3 0.840 -5.893 -7.689 -19.186 -99.200 -91.000 PHE 11 1.000 -12.958 -13.204 -26.957 -99.200 -91.000 PHE 13 1.000 -10.040 -18.848 -31.500 -99.200 -91.000 TRP 16 1.040 -10.631 -21.160 -41.746 -99.200 -91.000 TRP6 16 1.020 -12.919 -21.048 -41.129 -99.200 -91.000 TRP 20 1.040 -2.604 -22.439 -43.142 -99.200 -91.000 TRP6 20 1.020 -0.586 -21.248 -42.801 -99.200 -91.000 PHE 26 1.000 7.041 -18.262 -53.558 -99.200 -91.000 HIS 49 0.900 -20.496 -18.686 -27.620 -99.200 -91.000 PHE 53 1.000 -19.770 -26.652 -40.251 -99.200 -91.000 HIS 54 0.900 -14.094 -22.819 -44.899 -99.200 -91.000 PHE 61 1.000 -15.010 -32.514 -53.572 -99.200 -91.000 HIS 71 0.900 -15.393 -37.750 -41.332 -99.200 -91.000 PHE 75 1.000 -17.962 -30.087 -35.348 -99.200 -91.000 PHE 94 1.000 -11.930 -21.588 -49.897 -99.200 -91.000 HIS 96 0.900 -12.415 -30.444 -57.121 -99.200 -91.000 PHE 99 1.000 -16.247 -25.210 -56.374 -99.200 -91.000 PHE 104 1.000 -22.729 -18.881 -54.822 -99.200 -91.000 TYR 114 0.840 -20.059 -29.612 -57.461 -99.200 -91.000 TYR 134 0.840 -23.860 -21.453 -45.328 -99.200 -91.000 TRP 137 1.040 -13.376 -14.955 -49.381 -99.200 -91.000 TRP6 137 1.020 -11.725 -16.577 -49.842 -99.200 -91.000 PHE 162 1.000 -24.584 -14.283 -52.306 -99.200 -91.000 TYR 168 0.840 -32.791 -25.063 -49.414 -99.200 -91.000 TYR 174 0.840 -33.464 -24.845 -43.361 -99.200 -91.000 PHE 178 1.000 -28.121 -17.128 -47.169 -99.200 -91.000 HIS 198 0.900 -16.467 -1.787 -54.149 -99.200 -91.000 PHE 202 1.000 -24.581 -8.837 -54.989 -99.200 -91.000 TYR 212 0.840 -29.449 -12.247 -49.195 -99.200 -91.000 HIS 220 0.900 -10.350 -10.808 -46.183 -99.200 -91.000 PHE 228 1.000 -12.396 -4.347 -40.094 -99.200 -91.000 HIS 230 0.900 -12.908 6.358 -40.686 -99.200 -91.000 TRP 237 1.040 -25.611 5.655 -40.873 -99.200 -91.000 TRP6 237 1.020 -25.988 5.839 -43.176 -99.200 -91.000 PHE 242 1.000 -27.216 -9.517 -41.232 -99.200 -91.000 HIS 243 0.900 -19.169 -14.272 -38.112 -99.200 -91.000 TYR 254 0.840 2.038 -12.255 -47.124 -99.200 -91.000 PHE 260 1.000 -8.440 -7.899 -32.578 -99.200 -91.000 PHE 269 1.000 -8.146 2.620 -27.928 -99.200 -91.000 TRP 270 1.040 -8.701 4.722 -32.768 -99.200 -91.000 TRP6 270 1.020 -9.699 6.100 -31.117 -99.200 -91.000 TYR 280 0.840 -20.692 -7.924 -33.510 -99.200 -91.000 HIS 285 0.900 -14.776 -16.811 -37.367 -99.200 -91.000 PHE 286 1.000 -10.371 -13.699 -31.922 -99.200 -91.000 PHE 288 1.000 -5.291 -17.528 -35.113 -99.200 -91.000 PHE 296 1.000 -0.216 -29.515 -34.158 -99.200 -91.000 TRP 300 1.040 -3.003 -25.881 -29.205 -99.200 -91.000 TRP6 300 1.020 -5.065 -25.789 -30.339 -99.200 -91.000 TYR 310 0.840 -12.919 -7.925 -28.511 -99.200 -91.000 PHE 320 1.000 -10.583 7.697 -25.712 -99.200 -91.000 PHE 357 1.000 -23.889 32.341 -48.378 -99.200 -91.000 PHE 360 1.000 -20.232 30.708 -40.530 -99.200 -91.000 PHE 372 1.000 -10.720 17.023 -34.702 -99.200 -91.000 HIS 382 0.900 -7.480 6.569 -20.685 -99.200 -91.000