============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 9 1.000 0.174 -10.435 10.356 -99.200 -91.000 TYR 30 0.840 1.204 18.791 27.941 -99.200 -91.000 TYR 36 0.840 -1.933 16.308 23.520 -99.200 -91.000 TYR 38 0.840 -3.129 12.612 17.505 -99.200 -91.000 TRP 39 1.040 -6.532 4.633 18.150 -99.200 -91.000 TRP6 39 1.020 -5.293 2.631 18.274 -99.200 -91.000 TYR 40 0.840 -3.084 9.212 11.421 -99.200 -91.000 TYR 53 0.840 -9.846 15.226 16.007 -99.200 -91.000 PHE 66 1.000 -14.066 2.493 12.728 -99.200 -91.000 PHE 75 1.000 -2.387 4.765 24.907 -99.200 -91.000 TYR 90 0.840 -8.245 -0.486 11.641 -99.200 -91.000 TYR 91 0.840 0.182 2.058 10.057 -99.200 -91.000 TRP 100 1.040 2.812 14.358 14.703 -99.200 -91.000 TRP6 100 1.020 0.699 13.319 14.817 -99.200 -91.000 PHE 102 1.000 2.834 8.184 12.142 -99.200 -91.000 PHE 122 1.000 -4.739 -17.042 -16.929 -99.200 -91.000 PHE 139 1.000 -6.128 -14.887 -10.202 -99.200 -91.000 PHE 143 1.000 -6.998 -18.224 -2.096 -99.200 -91.000 TYR 144 0.840 -11.046 -16.333 5.521 -99.200 -91.000 TRP 152 1.040 3.517 -24.279 -10.715 -99.200 -91.000 TRP6 152 1.020 2.431 -23.735 -12.739 -99.200 -91.000 TRP 167 1.040 -1.724 -15.598 -0.833 -99.200 -91.000 TRP6 167 1.020 0.341 -16.732 -0.922 -99.200 -91.000 TYR 177 0.840 -6.732 -13.229 2.486 -99.200 -91.000 TYR 190 0.840 5.727 -23.272 -22.813 -99.200 -91.000 HIS 193 0.900 10.375 -30.085 -19.610 -99.200 -91.000 TYR 196 0.840 4.799 -26.767 -19.319 -99.200 -91.000 HIS 202 0.900 -8.667 -22.890 0.773 -99.200 -91.000 PHE 213 1.000 -0.195 -25.126 -20.362 -99.200 -91.000