============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TYR 9 0.840 26.594 66.852 77.280 -99.200 -91.000 TYR 29 0.840 35.426 75.078 81.119 -99.200 -91.000 TYR 31 0.840 30.095 73.809 77.612 -99.200 -91.000 HIS 49 0.900 3.826 72.796 95.194 -99.200 -91.000 HIS 52 0.900 -1.441 74.441 84.739 -99.200 -91.000 TRP 74 1.040 8.040 90.759 78.616 -99.200 -91.000 TRP6 74 1.020 7.291 93.003 78.338 -99.200 -91.000 TYR 75 0.840 10.430 84.707 74.938 -99.200 -91.000 PHE 85 1.000 12.843 92.219 78.234 -99.200 -91.000 PHE 94 1.000 7.079 83.449 86.483 -99.200 -91.000 TRP 103 1.040 0.341 70.818 70.301 -99.200 -91.000 TRP6 103 1.020 0.748 69.282 68.543 -99.200 -91.000 TYR 122 0.840 37.293 86.740 70.770 -99.200 -91.000 TRP 129 1.040 41.036 81.492 77.282 -99.200 -91.000 TRP6 129 1.020 41.673 80.783 75.102 -99.200 -91.000 PHE 142 1.000 18.778 81.587 75.168 -99.200 -91.000 TYR 146 0.840 27.280 82.995 84.544 -99.200 -91.000 TYR 164 0.840 35.780 82.054 85.686 -99.200 -91.000 PHE 166 1.000 24.386 86.730 86.460 -99.200 -91.000 TYR 171 0.840 19.645 79.119 97.515 -99.200 -91.000 TYR 177 0.840 36.167 75.037 91.768 -99.200 -91.000 TYR 178 0.840 31.351 70.678 88.489 -99.200 -91.000 PHE 184 1.000 35.748 79.988 78.905 -99.200 -91.000 HIS 187 0.900 31.955 95.878 82.433 -99.200 -91.000 PHE 199 1.000 11.555 81.858 88.210 -99.200 -91.000 HIS 202 0.900 12.971 75.740 89.124 -99.200 -91.000 PHE 207 1.000 17.235 77.172 94.318 -99.200 -91.000 PHE 212 1.000 24.429 86.448 80.100 -99.200 -91.000 PHE 213 1.000 16.185 86.579 76.009 -99.200 -91.000 PHE 226 1.000 27.550 89.580 82.079 -99.200 -91.000 TYR 228 0.840 31.855 90.949 84.135 -99.200 -91.000 PHE 232 1.000 33.809 92.493 88.325 -99.200 -91.000 TRP 233 1.040 33.854 97.064 86.196 -99.200 -91.000 TRP6 233 1.020 36.048 96.370 85.622 -99.200 -91.000 TYR 239 0.840 42.120 93.328 94.567 -99.200 -91.000 PHE 240 1.000 40.006 92.684 87.234 -99.200 -91.000 HIS 251 0.900 33.315 100.741 85.560 -99.200 -91.000