============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 27 1.000 -22.276 9.024 34.371 -99.200 -91.000 PHE 29 1.000 -23.744 12.218 39.647 -99.200 -91.000 TYR 32 0.840 -23.243 4.122 36.538 -99.200 -91.000 TRP 33 1.040 -21.321 2.660 44.914 -99.200 -91.000 TRP6 33 1.020 -20.377 2.583 47.072 -99.200 -91.000 TRP 36 1.040 -14.086 13.947 44.310 -99.200 -91.000 TRP6 36 1.020 -13.679 15.594 42.677 -99.200 -91.000 TRP 47 1.040 -10.028 5.560 46.162 -99.200 -91.000 TRP6 47 1.020 -10.791 5.128 48.347 -99.200 -91.000 TYR 60 0.840 -14.119 11.055 53.344 -99.200 -91.000 PHE 68 1.000 -8.421 16.121 50.232 -99.200 -91.000 TYR 80 0.840 -21.209 19.805 44.421 -99.200 -91.000 TYR 94 0.840 -6.788 17.395 44.298 -99.200 -91.000 TYR 95 0.840 -6.475 12.957 37.120 -99.200 -91.000 PHE 101 1.000 -19.839 -1.132 44.532 -99.200 -91.000 TYR 104 0.840 -26.316 -10.799 41.476 -99.200 -91.000 HIS 106 0.900 -17.288 -12.544 43.611 -99.200 -91.000 TYR 107 0.840 -16.291 -5.202 36.110 -99.200 -91.000 TYR 111 0.840 -16.933 5.939 30.448 -99.200 -91.000 TRP 112 1.040 -10.255 7.129 35.396 -99.200 -91.000 TRP6 112 1.020 -8.683 7.450 37.129 -99.200 -91.000 PHE 131 1.000 10.281 35.966 25.422 -99.200 -91.000 TYR 154 0.840 4.054 28.300 32.779 -99.200 -91.000 PHE 155 1.000 3.483 29.423 41.349 -99.200 -91.000 TRP 163 1.040 2.121 24.866 17.782 -99.200 -91.000 TRP6 163 1.020 3.627 26.590 17.183 -99.200 -91.000 HIS 173 0.900 6.928 15.737 19.191 -99.200 -91.000 PHE 175 1.000 9.911 19.073 23.731 -99.200 -91.000 TYR 185 0.840 5.941 25.103 37.478 -99.200 -91.000 TYR 203 0.840 4.463 27.212 9.802 -99.200 -91.000 HIS 209 0.900 -0.698 31.174 33.774 -99.200 -91.000