============================================================================= 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 40.525 7.791 -7.449 -99.200 -91.000 PHE 29 1.000 46.165 7.068 -10.301 -99.200 -91.000 TYR 32 0.840 42.580 7.835 -2.478 -99.200 -91.000 TRP 33 1.040 49.663 3.009 -0.434 -99.200 -91.000 TRP6 33 1.020 51.353 1.363 -0.198 -99.200 -91.000 TRP 36 1.040 47.095 -3.592 -11.882 -99.200 -91.000 TRP6 36 1.020 45.489 -3.376 -13.614 -99.200 -91.000 TRP 47 1.040 46.796 -7.828 -3.288 -99.200 -91.000 TRP6 47 1.020 49.119 -7.856 -2.811 -99.200 -91.000 TYR 60 0.840 55.184 -6.795 -8.435 -99.200 -91.000 PHE 68 1.000 51.350 -11.681 -11.926 -99.200 -91.000 TYR 80 0.840 50.207 2.733 -17.615 -99.200 -91.000 TYR 94 0.840 44.462 -10.379 -15.409 -99.200 -91.000 TYR 95 0.840 37.449 -7.971 -11.440 -99.200 -91.000 PHE 101 1.000 48.671 2.156 3.402 -99.200 -91.000 TYR 104 0.840 47.421 9.388 12.378 -99.200 -91.000 HIS 106 0.900 46.377 0.068 14.083 -99.200 -91.000 TYR 107 0.840 38.876 1.590 6.748 -99.200 -91.000 TYR 111 0.840 34.689 4.193 -4.626 -99.200 -91.000 TRP 112 1.040 36.884 -3.900 -5.609 -99.200 -91.000 TRP6 112 1.020 37.905 -6.015 -5.908 -99.200 -91.000 PHE 131 1.000 21.263 -19.337 -34.976 -99.200 -91.000 TYR 154 0.840 30.056 -16.456 -26.984 -99.200 -91.000 PHE 155 1.000 38.391 -19.314 -27.641 -99.200 -91.000 TRP 163 1.040 17.053 -8.662 -24.060 -99.200 -91.000 TRP6 163 1.020 16.008 -9.787 -25.873 -99.200 -91.000 HIS 173 0.900 15.910 -13.950 -14.895 -99.200 -91.000 PHE 175 1.000 18.954 -18.191 -18.134 -99.200 -91.000 TYR 185 0.840 33.439 -19.975 -23.657 -99.200 -91.000 TYR 203 0.840 8.847 -7.747 -26.823 -99.200 -91.000 HIS 209 0.900 32.998 -12.538 -29.636 -99.200 -91.000