============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 3 1.000 5.567 -4.753 48.344 -99.200 -91.000 TYR 8 0.840 3.774 -5.124 55.426 -99.200 -91.000 TYR 18 0.840 -9.072 -1.050 45.182 -99.200 -91.000 PHE 26 1.000 -2.804 -0.823 45.176 -99.200 -91.000 PHE 30 1.000 4.104 -5.637 37.073 -99.200 -91.000 TYR 35 0.840 6.640 -7.123 18.547 -99.200 -91.000 PHE 38 1.000 2.450 -6.141 23.036 -99.200 -91.000 HIS 44 0.900 2.683 -17.533 30.821 -99.200 -91.000 TYR 45 0.840 -0.370 -12.566 32.133 -99.200 -91.000 TYR 59 0.840 -8.298 2.291 24.786 -99.200 -91.000 PHE 66 1.000 -8.460 20.674 33.113 -99.200 -91.000 TYR 72 0.840 -13.363 15.797 30.669 -99.200 -91.000 PHE 77 1.000 -13.136 2.276 24.196 -99.200 -91.000 PHE 85 1.000 -9.504 14.354 18.054 -99.200 -91.000 PHE 89 1.000 -11.122 18.810 15.919 -99.200 -91.000 TYR 100 0.840 -14.813 16.824 18.600 -99.200 -91.000 TYR 114 0.840 -13.657 15.759 35.785 -99.200 -91.000 TRP 128 1.040 11.618 -6.395 43.938 -99.200 -91.000 TRP6 128 1.020 11.854 -8.416 42.697 -99.200 -91.000 TYR 159 0.840 -3.783 14.791 20.713 -99.200 -91.000 TYR 161 0.840 -4.946 3.622 17.536 -99.200 -91.000 TYR 165 0.840 -3.689 -7.682 22.442 -99.200 -91.000 PHE 167 1.000 -4.306 -11.197 28.431 -99.200 -91.000 TRP 187 1.040 2.050 16.686 12.137 -99.200 -91.000 TRP6 187 1.020 1.627 18.695 13.344 -99.200 -91.000 TYR 196 0.840 5.659 -2.702 22.116 -99.200 -91.000 PHE 219 1.000 8.058 -8.034 40.269 -99.200 -91.000