============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. TYR 8 0.840 95.279 -2.336 43.333 -99.200 -91.000 TRP 16 1.040 87.615 -5.199 43.012 -99.200 -91.000 TRP6 16 1.020 86.961 -6.417 41.096 -99.200 -91.000 TYR 35 0.840 98.511 6.406 48.561 -99.200 -91.000 PHE 39 1.000 103.766 1.546 54.189 -99.200 -91.000 HIS 51 0.900 107.033 -14.445 50.618 -99.200 -91.000 TRP 57 1.040 103.828 -8.888 37.006 -99.200 -91.000 TRP6 57 1.020 103.576 -6.740 36.072 -99.200 -91.000 TYR 59 0.840 102.824 -7.578 43.582 -99.200 -91.000 HIS 91 0.900 71.966 -2.316 57.878 -99.200 -91.000 TYR 99 0.840 63.728 -3.007 55.503 -99.200 -91.000 PHE 121 1.000 87.072 7.256 42.782 -99.200 -91.000 TYR 131 0.840 102.165 14.030 40.854 -99.200 -91.000 TRP 136 1.040 94.966 3.332 28.144 -99.200 -91.000 TRP6 136 1.020 92.742 3.889 27.573 -99.200 -91.000 TYR 140 0.840 89.074 -3.630 38.902 -99.200 -91.000 TYR 151 0.840 86.560 9.764 31.061 -99.200 -91.000 PHE 154 1.000 93.777 14.004 32.794 -99.200 -91.000 HIS 164 0.900 82.498 -9.321 40.266 -99.200 -91.000 PHE 167 1.000 83.443 -10.620 33.348 -99.200 -91.000 HIS 199 0.900 76.778 -2.865 40.737 -99.200 -91.000 PHE 200 1.000 68.174 -0.781 35.436 -99.200 -91.000 TRP 202 1.040 68.645 -3.828 31.662 -99.200 -91.000 TRP6 202 1.020 66.670 -4.975 32.275 -99.200 -91.000 TYR 208 0.840 78.029 -22.552 22.463 -99.200 -91.000 HIS 210 0.900 74.800 -23.545 15.379 -99.200 -91.000 PHE 217 1.000 66.805 -15.386 30.634 -99.200 -91.000 PHE 220 1.000 67.234 -21.389 32.318 -99.200 -91.000 HIS 223 0.900 60.426 -26.257 33.435 -99.200 -91.000 TYR 224 0.840 64.200 -24.419 35.496 -99.200 -91.000 TYR 229 0.840 68.908 -23.327 36.319 -99.200 -91.000 TRP 236 1.040 67.308 -19.841 47.614 -99.200 -91.000 TRP6 236 1.020 66.762 -18.198 49.232 -99.200 -91.000 PHE 241 1.000 78.946 -11.661 48.312 -99.200 -91.000 HIS 245 0.900 70.288 -17.199 38.640 -99.200 -91.000 PHE 249 1.000 64.797 -17.282 35.461 -99.200 -91.000 PHE 252 1.000 63.006 -12.641 28.571 -99.200 -91.000 TYR 255 0.840 61.210 -3.523 32.442 -99.200 -91.000 HIS 265 0.900 75.207 -5.914 42.625 -99.200 -91.000 PHE 269 1.000 70.485 0.137 39.367 -99.200 -91.000 TYR 274 0.840 61.696 -7.329 42.103 -99.200 -91.000 TRP 281 1.040 60.154 -11.354 44.991 -99.200 -91.000 TRP6 281 1.020 59.521 -11.783 42.749 -99.200 -91.000 PHE 283 1.000 66.792 -10.141 46.494 -99.200 -91.000 HIS 284 0.900 70.685 -14.915 50.982 -99.200 -91.000 PHE 290 1.000 78.948 -11.379 54.035 -99.200 -91.000 PHE 359 1.000 89.506 -3.815 18.505 -99.200 -91.000 HIS 383 0.900 68.086 4.353 38.910 -99.200 -91.000 PHE 403 1.000 65.906 16.619 50.143 -99.200 -91.000 PHE 406 1.000 67.924 10.720 50.283 -99.200 -91.000 PHE 423 1.000 70.783 14.971 51.276 -99.200 -91.000