============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 3 0.840 57.372 -14.249 89.941 -99.200 -91.000 PHE 4 1.000 52.260 -8.252 86.814 -99.200 -91.000 TYR 8 0.840 60.354 -14.161 76.027 -99.200 -91.000 PHE 15 1.000 52.394 -9.826 69.657 -99.200 -91.000 PHE 25 1.000 51.116 -14.362 52.299 -99.200 -91.000 PHE 31 1.000 43.218 -19.297 44.561 -99.200 -91.000 PHE 51 1.000 46.464 0.891 55.244 -99.200 -91.000 HIS 81 0.900 61.608 -4.221 58.773 -99.200 -91.000 TYR 101 0.840 63.493 -5.894 67.275 -99.200 -91.000 PHE 105 1.000 63.471 -7.536 71.959 -99.200 -91.000 PHE 110 1.000 58.943 -8.499 76.835 -99.200 -91.000 TRP 123 1.040 48.528 7.238 71.220 -99.200 -91.000 TRP6 123 1.020 48.990 5.389 72.629 -99.200 -91.000 TYR 127 0.840 50.836 7.794 81.691 -99.200 -91.000 TYR 131 0.840 48.428 -5.737 83.188 -99.200 -91.000 PHE 133 1.000 51.598 -0.568 72.971 -99.200 -91.000 HIS 137 0.900 47.630 0.466 70.071 -99.200 -91.000 TYR 143 0.840 46.287 -12.863 68.150 -99.200 -91.000 PHE 144 1.000 41.442 -4.990 61.937 -99.200 -91.000 HIS 145 0.900 46.264 -4.347 60.954 -99.200 -91.000 TYR 150 0.840 41.995 -17.671 57.739 -99.200 -91.000 HIS 155 0.900 36.020 -11.855 49.109 -99.200 -91.000 TYR 165 0.840 43.980 -16.580 63.536 -99.200 -91.000 TYR 170 0.840 46.557 -30.992 70.927 -99.200 -91.000