============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 2 1.000 100.163 55.165 -0.298 -99.200 -91.000 PHE 14 1.000 97.266 61.483 29.915 -99.200 -91.000 HIS 24 0.900 90.442 51.138 4.017 -99.200 -91.000 TYR 38 0.840 80.326 30.798 15.618 -99.200 -91.000 TYR 56 0.840 73.282 7.194 20.781 -99.200 -91.000 PHE 70 1.000 76.252 11.549 21.167 -99.200 -91.000 TRP 80 1.040 79.839 24.813 14.547 -99.200 -91.000 TRP6 80 1.020 79.668 24.021 16.769 -99.200 -91.000 TYR 89 0.840 86.100 14.326 7.052 -99.200 -91.000 HIS 91 0.900 79.787 8.737 13.519 -99.200 -91.000 TYR 102 0.840 92.039 11.199 9.108 -99.200 -91.000 TYR 104 0.840 84.236 7.542 16.680 -99.200 -91.000 TRP 121 1.040 94.058 26.851 28.530 -99.200 -91.000 TRP6 121 1.020 95.942 27.929 29.483 -99.200 -91.000 HIS 124 0.900 93.640 34.337 24.839 -99.200 -91.000 TYR 133 0.840 82.223 28.916 11.620 -99.200 -91.000 HIS 136 0.900 88.412 21.842 12.436 -99.200 -91.000 TYR 144 0.840 93.933 32.125 8.020 -99.200 -91.000 TYR 147 0.840 101.729 21.463 7.876 -99.200 -91.000 HIS 162 0.900 108.739 25.823 -8.362 -99.200 -91.000 TYR 172 0.840 113.410 29.787 5.265 -99.200 -91.000 TYR 179 0.840 103.928 32.766 11.252 -99.200 -91.000 TYR 182 0.840 104.121 41.440 2.998 -99.200 -91.000 TYR 187 0.840 116.195 35.706 14.435 -99.200 -91.000 PHE 190 1.000 104.062 26.963 15.038 -99.200 -91.000 PHE 193 1.000 109.969 33.445 20.974 -99.200 -91.000 TYR 227 0.840 118.407 41.094 15.013 -99.200 -91.000 PHE 230 1.000 110.383 44.601 15.468 -99.200 -91.000 PHE 246 1.000 94.051 45.333 20.842 -99.200 -91.000 HIS 248 0.900 104.029 45.497 24.276 -99.200 -91.000 PHE 253 1.000 108.066 48.220 22.425 -99.200 -91.000 TRP 256 1.040 103.898 43.210 32.233 -99.200 -91.000 TRP6 256 1.020 102.010 42.238 31.159 -99.200 -91.000 TRP 268 1.040 102.330 36.169 30.343 -99.200 -91.000 TRP6 268 1.020 101.508 34.542 31.807 -99.200 -91.000 TRP 269 1.040 96.329 35.035 31.588 -99.200 -91.000 TRP6 269 1.020 96.884 33.268 33.060 -99.200 -91.000 TYR 281 0.840 94.440 19.138 24.838 -99.200 -91.000 HIS 309 0.900 92.531 36.258 18.595 -99.200 -91.000 PHE 317 1.000 84.919 41.384 13.308 -99.200 -91.000 TYR 325 0.840 75.522 24.350 19.723 -99.200 -91.000