============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 6 1.000 0.043 17.476 7.093 -99.200 -91.000 HIS 23 0.900 13.483 -12.955 -4.924 -99.200 -91.000 PHE 25 1.000 11.130 -4.896 -2.775 -99.200 -91.000 TYR 37 0.840 -10.405 19.610 -1.234 -99.200 -91.000 PHE 44 1.000 3.891 4.970 -4.473 -99.200 -91.000 TRP 55 1.040 4.099 -2.317 -8.905 -99.200 -91.000 TRP6 55 1.020 5.391 -0.700 -7.779 -99.200 -91.000 PHE 66 1.000 -0.234 14.434 2.822 -99.200 -91.000 TYR 69 0.840 -8.219 12.140 11.721 -99.200 -91.000 HIS 72 0.900 -17.547 14.979 13.334 -99.200 -91.000 HIS 76 0.900 -11.200 12.174 18.853 -99.200 -91.000 PHE 78 1.000 0.422 9.998 16.587 -99.200 -91.000 PHE 79 1.000 -2.491 8.717 11.677 -99.200 -91.000 TYR 87 0.840 3.292 9.566 11.469 -99.200 -91.000 PHE 95 1.000 1.112 -10.190 2.534 -99.200 -91.000 TYR 101 0.840 5.389 -7.727 2.305 -99.200 -91.000 PHE 109 1.000 5.381 18.606 6.496 -99.200 -91.000 PHE 125 1.000 5.872 -13.015 1.965 -99.200 -91.000 HIS 134 0.900 5.200 -11.166 -8.995 -99.200 -91.000 TYR 138 0.840 -1.689 -2.262 -11.073 -99.200 -91.000 TYR 140 0.840 -5.140 -1.829 -1.686 -99.200 -91.000 HIS 143 0.900 -8.025 -0.952 4.262 -99.200 -91.000 TYR 146 0.840 -12.167 -1.100 12.076 -99.200 -91.000 PHE 160 1.000 -4.602 -1.660 8.117 -99.200 -91.000 HIS 164 0.900 -3.399 -7.435 -0.825 -99.200 -91.000 HIS 176 0.900 -1.897 -4.624 6.385 -99.200 -91.000 TYR 177 0.840 -0.013 -4.424 16.769 -99.200 -91.000 HIS 194 0.900 -9.699 7.881 14.992 -99.200 -91.000 TYR 195 0.840 -14.851 3.782 10.481 -99.200 -91.000 HIS 212 0.900 4.188 2.392 -14.511 -99.200 -91.000 PHE 218 1.000 -10.305 10.659 -3.633 -99.200 -91.000 HIS 226 0.900 -22.186 13.562 13.737 -99.200 -91.000 TYR 232 0.840 -27.675 20.308 10.118 -99.200 -91.000