============================================================================= 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 2 0.840 15.618 11.585 -3.898 -99.200 -91.000 PHE 20 1.000 11.598 2.634 12.265 -99.200 -91.000 HIS 24 0.900 5.567 16.540 14.144 -99.200 -91.000 TYR 28 0.840 12.290 21.752 -0.159 -99.200 -91.000 PHE 55 1.000 13.018 7.442 10.087 -99.200 -91.000 PHE 65 1.000 9.671 0.935 -5.856 -99.200 -91.000 HIS 67 0.900 1.940 4.219 -10.827 -99.200 -91.000 HIS 69 0.900 -3.081 6.853 -8.715 -99.200 -91.000 TRP 83 1.040 13.189 15.397 11.345 -99.200 -91.000 TRP6 83 1.020 12.965 17.737 11.130 -99.200 -91.000 PHE 97 1.000 -11.146 9.744 1.873 -99.200 -91.000 TYR 103 0.840 -23.334 5.625 6.904 -99.200 -91.000 TYR 113 0.840 -10.986 6.379 -3.203 -99.200 -91.000 TYR 115 0.840 -7.761 1.902 -13.054 -99.200 -91.000 TYR 123 0.840 6.343 1.929 -11.161 -99.200 -91.000 PHE 129 1.000 9.268 -3.063 -3.655 -99.200 -91.000 HIS 131 0.900 3.704 -2.699 -0.068 -99.200 -91.000 PHE 152 1.000 7.059 1.614 -1.147 -99.200 -91.000 TRP 160 1.040 -4.838 -6.588 6.040 -99.200 -91.000 TRP6 160 1.020 -5.279 -6.655 8.360 -99.200 -91.000 PHE 168 1.000 4.155 -23.316 3.037 -99.200 -91.000 PHE 171 1.000 6.067 -12.341 3.506 -99.200 -91.000 TRP 178 1.040 -4.471 -13.841 0.585 -99.200 -91.000 TRP6 178 1.020 -5.477 -15.963 0.277 -99.200 -91.000 PHE 180 1.000 -5.597 -4.630 -5.757 -99.200 -91.000 TRP 185 1.040 -14.052 -8.224 2.513 -99.200 -91.000 TRP6 185 1.020 -13.920 -7.401 4.733 -99.200 -91.000 HIS 190 0.900 -18.519 1.719 2.810 -99.200 -91.000 PHE 195 1.000 -10.779 -13.907 7.344 -99.200 -91.000 TYR 224 0.840 -17.060 -12.205 -2.602 -99.200 -91.000 TRP 231 1.040 -8.893 -12.897 -1.176 -99.200 -91.000 TRP6 231 1.020 -11.147 -12.191 -0.876 -99.200 -91.000 TYR 233 0.840 -4.100 -22.997 0.693 -99.200 -91.000 PHE 241 1.000 -1.216 -6.547 -8.090 -99.200 -91.000