============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 7 1.000 43.011 -2.306 15.939 -99.200 -91.000 HIS 17 0.900 40.334 -0.598 7.571 -99.200 -91.000 PHE 31 1.000 33.553 -4.407 19.703 -99.200 -91.000 TYR 32 0.840 35.995 3.259 14.614 -99.200 -91.000 TYR 33 0.840 36.516 7.906 21.143 -99.200 -91.000 TYR 44 0.840 32.162 6.009 17.258 -99.200 -91.000 HIS 53 0.900 32.182 -5.075 24.370 -99.200 -91.000 TYR 76 0.840 37.362 2.695 33.248 -99.200 -91.000 TRP 105 1.040 56.728 0.168 21.886 -99.200 -91.000 TRP6 105 1.020 58.976 0.868 22.088 -99.200 -91.000 PHE 118 1.000 52.815 -6.682 12.067 -99.200 -91.000 TYR 120 0.840 56.147 -9.972 20.783 -99.200 -91.000 TYR 133 0.840 44.471 -14.857 22.795 -99.200 -91.000 PHE 138 1.000 50.176 -7.280 16.282 -99.200 -91.000 HIS 145 0.900 61.321 -11.595 13.020 -99.200 -91.000 TYR 164 0.840 63.867 5.320 6.196 -99.200 -91.000 TYR 166 0.840 55.431 3.307 0.665 -99.200 -91.000 PHE 168 1.000 65.983 2.286 -4.156 -99.200 -91.000 TYR 226 0.840 83.113 6.794 -10.107 -99.200 -91.000 PHE 233 1.000 71.522 4.295 -2.405 -99.200 -91.000 TYR 235 0.840 76.531 10.061 6.029 -99.200 -91.000