============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TYR 8 0.840 40.739 54.079 72.145 -99.200 -91.000 HIS 11 0.900 45.000 44.968 74.217 -99.200 -91.000 PHE 25 1.000 40.877 44.012 54.644 -99.200 -91.000 PHE 30 1.000 38.240 54.207 66.577 -99.200 -91.000 TYR 39 0.840 48.725 53.752 67.250 -99.200 -91.000 TYR 42 0.840 58.149 58.383 66.913 -99.200 -91.000 PHE 43 1.000 56.931 51.173 65.978 -99.200 -91.000 TYR 48 0.840 41.931 57.524 55.373 -99.200 -91.000 PHE 49 1.000 45.696 58.759 65.686 -99.200 -91.000 TYR 54 0.840 31.812 54.844 68.070 -99.200 -91.000 PHE 72 1.000 36.054 49.598 70.697 -99.200 -91.000 HIS 75 0.900 41.351 53.181 76.817 -99.200 -91.000 TYR 88 0.840 32.553 44.228 68.502 -99.200 -91.000 PHE 89 1.000 36.716 39.510 63.236 -99.200 -91.000 TRP 97 1.040 26.765 35.883 77.986 -99.200 -91.000 TRP6 97 1.020 26.006 33.988 79.181 -99.200 -91.000 TRP 107 1.040 31.757 31.020 77.754 -99.200 -91.000 TRP6 107 1.020 32.535 33.066 76.862 -99.200 -91.000 TYR 119 0.840 36.672 25.886 99.542 -99.200 -91.000 TYR 136 0.840 43.869 41.048 95.819 -99.200 -91.000 PHE 137 1.000 42.486 38.043 104.596 -99.200 -91.000 PHE 145 1.000 37.130 33.592 106.231 -99.200 -91.000 TRP 146 1.040 35.333 32.030 111.162 -99.200 -91.000 TRP6 146 1.020 33.751 33.482 110.165 -99.200 -91.000 PHE 152 1.000 46.308 41.396 107.930 -99.200 -91.000 TYR 159 0.840 47.868 30.472 96.783 -99.200 -91.000 TYR 166 0.840 48.600 35.326 81.099 -99.200 -91.000 HIS 168 0.900 48.775 34.814 73.234 -99.200 -91.000 TYR 169 0.840 42.735 28.939 73.218 -99.200 -91.000 PHE 170 1.000 40.842 34.248 63.987 -99.200 -91.000 TYR 171 0.840 35.286 28.474 65.809 -99.200 -91.000 TYR 187 0.840 58.506 41.968 82.867 -99.200 -91.000 PHE 205 1.000 61.641 48.168 103.873 -99.200 -91.000 TYR 211 0.840 48.976 40.456 91.679 -99.200 -91.000 TRP 248 1.040 32.772 35.948 64.869 -99.200 -91.000 TRP6 248 1.020 30.482 35.959 65.485 -99.200 -91.000 PHE 251 1.000 38.824 31.453 72.218 -99.200 -91.000 PHE 257 1.000 49.358 24.161 81.681 -99.200 -91.000 PHE 263 1.000 45.188 26.752 81.010 -99.200 -91.000 PHE 266 1.000 44.244 31.980 88.524 -99.200 -91.000 PHE 279 1.000 54.273 35.193 70.072 -99.200 -91.000 TYR 285 0.840 52.744 26.801 70.113 -99.200 -91.000 TRP 287 1.040 56.959 31.687 61.553 -99.200 -91.000 TRP6 287 1.020 57.281 32.041 59.229 -99.200 -91.000 TYR 290 0.840 48.541 30.153 59.036 -99.200 -91.000