============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 8 0.840 15.688 48.954 12.561 -99.200 -91.000 TYR 26 0.840 8.341 60.907 32.442 -99.200 -91.000 HIS 28 0.900 10.638 65.313 40.337 -99.200 -91.000 TYR 30 0.840 5.964 56.513 32.098 -99.200 -91.000 HIS 33 0.900 0.774 63.064 36.514 -99.200 -91.000 TYR 39 0.840 10.929 70.501 20.995 -99.200 -91.000 TYR 45 0.840 18.837 62.864 23.222 -99.200 -91.000 PHE 50 1.000 20.581 73.071 37.010 -99.200 -91.000 TYR 54 0.840 18.023 64.460 34.481 -99.200 -91.000 TRP 64 1.040 9.320 55.792 17.695 -99.200 -91.000 TRP6 64 1.020 10.586 57.689 17.073 -99.200 -91.000 TYR 89 0.840 4.522 52.596 12.622 -99.200 -91.000 TYR 90 0.840 6.202 50.469 5.917 -99.200 -91.000 PHE 107 1.000 9.971 55.594 -2.037 -99.200 -91.000 PHE 121 1.000 5.083 63.586 2.247 -99.200 -91.000 PHE 122 1.000 9.042 64.810 -6.101 -99.200 -91.000 PHE 128 1.000 18.171 74.171 7.783 -99.200 -91.000 HIS 134 0.900 6.184 71.690 1.197 -99.200 -91.000 TYR 139 0.840 3.652 64.186 -7.686 -99.200 -91.000 TYR 148 0.840 4.724 50.671 -5.610 -99.200 -91.000 TYR 155 0.840 5.849 55.061 -5.274 -99.200 -91.000 PHE 157 1.000 7.533 59.956 -5.144 -99.200 -91.000 TYR 162 0.840 9.035 70.836 -9.948 -99.200 -91.000 PHE 167 1.000 13.151 73.446 -10.957 -99.200 -91.000 PHE 177 1.000 20.256 71.917 -0.410 -99.200 -91.000 TRP 183 1.040 2.186 59.979 7.804 -99.200 -91.000 TRP6 183 1.020 2.963 62.178 8.158 -99.200 -91.000 TYR 192 0.840 10.293 63.353 6.442 -99.200 -91.000