============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TYR 14 0.840 3.886 14.768 -18.338 -99.200 -91.000 TRP 26 1.040 7.378 0.980 -15.476 -99.200 -91.000 TRP6 26 1.020 6.980 3.250 -14.974 -99.200 -91.000 PHE 30 1.000 7.175 5.712 -20.672 -99.200 -91.000 HIS 37 0.900 17.505 4.540 -23.182 -99.200 -91.000 PHE 47 1.000 20.496 12.722 -17.922 -99.200 -91.000 TYR 59 0.840 15.053 9.626 -22.182 -99.200 -91.000 TYR 71 0.840 10.468 22.546 -5.799 -99.200 -91.000 TRP 88 1.040 8.086 9.156 -3.430 -99.200 -91.000 TRP6 88 1.020 6.739 7.858 -1.989 -99.200 -91.000 TYR 97 0.840 8.965 1.219 -6.929 -99.200 -91.000 PHE 98 1.000 11.544 0.404 -13.318 -99.200 -91.000 TYR 107 0.840 21.048 7.725 -19.676 -99.200 -91.000 PHE 110 1.000 27.164 15.518 -11.974 -99.200 -91.000 TRP 114 1.040 25.975 7.219 0.249 -99.200 -91.000 TRP6 114 1.020 25.141 7.969 2.353 -99.200 -91.000 HIS 119 0.900 27.865 6.030 5.937 -99.200 -91.000 TYR 126 0.840 28.217 -3.171 -1.923 -99.200 -91.000 PHE 129 1.000 21.950 0.353 -4.052 -99.200 -91.000 PHE 133 1.000 21.341 0.109 -10.410 -99.200 -91.000 HIS 144 0.900 25.078 4.973 -21.619 -99.200 -91.000 PHE 145 1.000 28.944 7.188 -11.737 -99.200 -91.000 PHE 153 1.000 34.550 7.781 -13.909 -99.200 -91.000 TYR 155 0.840 33.135 1.584 -4.726 -99.200 -91.000 PHE 160 1.000 30.043 0.928 -12.893 -99.200 -91.000 TYR 163 0.840 27.776 -7.433 -10.787 -99.200 -91.000 TRP 170 1.040 33.563 10.341 -23.194 -99.200 -91.000 TRP6 170 1.020 32.345 8.301 -23.226 -99.200 -91.000 HIS 174 0.900 31.288 19.785 -18.941 -99.200 -91.000 PHE 178 1.000 28.721 12.032 -24.722 -99.200 -91.000 TYR 185 0.840 27.502 19.560 -8.684 -99.200 -91.000 PHE 189 1.000 29.255 24.229 -9.264 -99.200 -91.000 TYR 197 0.840 36.814 12.344 -13.012 -99.200 -91.000 PHE 203 1.000 24.736 -4.712 -14.998 -99.200 -91.000