============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. HIS 22 0.900 -7.760 57.898 11.135 -99.200 -91.000 PHE 24 1.000 -0.853 59.402 19.129 -99.200 -91.000 PHE 29 1.000 0.321 62.816 11.270 -99.200 -91.000 PHE 46 1.000 -2.219 60.392 1.676 -99.200 -91.000 TYR 59 0.840 1.260 52.706 20.384 -99.200 -91.000 TRP 71 1.040 2.236 52.439 33.876 -99.200 -91.000 TRP6 71 1.020 2.338 51.199 35.888 -99.200 -91.000 HIS 93 0.900 -6.566 68.536 47.643 -99.200 -91.000 TYR 95 0.840 -6.978 60.916 38.670 -99.200 -91.000 TYR 96 0.840 -11.206 67.046 37.171 -99.200 -91.000 PHE 99 1.000 -3.985 60.659 28.447 -99.200 -91.000 TYR 101 0.840 -1.251 65.948 19.958 -99.200 -91.000 HIS 103 0.900 -11.817 61.029 22.735 -99.200 -91.000 PHE 124 1.000 1.925 68.016 38.783 -99.200 -91.000 TYR 127 0.840 5.271 65.611 28.212 -99.200 -91.000 TYR 130 0.840 7.392 75.149 28.716 -99.200 -91.000 TYR 143 0.840 -5.342 82.139 24.712 -99.200 -91.000 TYR 145 0.840 -12.887 74.498 26.938 -99.200 -91.000 TYR 146 0.840 -11.356 78.169 30.295 -99.200 -91.000 TRP 157 1.040 -8.160 77.436 34.510 -99.200 -91.000 TRP6 157 1.020 -7.389 75.248 34.037 -99.200 -91.000 TRP 163 1.040 7.062 68.493 37.141 -99.200 -91.000 TRP6 163 1.020 7.238 66.191 37.677 -99.200 -91.000 HIS 166 0.900 9.542 67.348 43.939 -99.200 -91.000 HIS 167 0.900 12.221 67.048 47.666 -99.200 -91.000 PHE 173 1.000 13.773 60.268 36.427 -99.200 -91.000 HIS 176 0.900 12.007 53.225 39.661 -99.200 -91.000 HIS 183 0.900 17.231 43.990 38.707 -99.200 -91.000 PHE 184 1.000 23.669 46.496 33.773 -99.200 -91.000 PHE 196 1.000 21.328 59.850 33.396 -99.200 -91.000 HIS 199 0.900 10.431 62.576 21.107 -99.200 -91.000 TYR 212 0.840 13.114 67.820 26.010 -99.200 -91.000 TYR 229 0.840 28.980 63.460 39.774 -99.200 -91.000 TYR 233 0.840 26.587 62.042 33.181 -99.200 -91.000 TRP 237 1.040 19.753 64.602 23.179 -99.200 -91.000 TRP6 237 1.020 18.493 65.796 24.789 -99.200 -91.000 TRP 246 1.040 14.700 65.303 14.249 -99.200 -91.000 TRP6 246 1.020 12.880 64.877 15.699 -99.200 -91.000 PHE 273 1.000 5.839 60.100 29.144 -99.200 -91.000 HIS 277 0.900 6.738 57.293 26.768 -99.200 -91.000 TYR 282 0.840 8.672 49.477 18.158 -99.200 -91.000 TYR 288 0.840 16.716 52.877 19.622 -99.200 -91.000 PHE 313 1.000 6.123 60.354 39.190 -99.200 -91.000 HIS 322 0.900 1.107 71.080 51.058 -99.200 -91.000 HIS 324 0.900 1.027 75.819 41.481 -99.200 -91.000 PHE 353 1.000 -6.275 80.893 30.803 -99.200 -91.000 PHE 354 1.000 -2.011 78.605 32.537 -99.200 -91.000