============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 3 0.900 -9.519 -11.123 13.741 -99.200 -91.000 TYR 7 0.840 -10.635 3.715 9.211 -99.200 -91.000 PHE 8 1.000 -2.265 3.202 12.018 -99.200 -91.000 PHE 9 1.000 -7.658 9.285 10.090 -99.200 -91.000 PHE 22 1.000 -6.139 13.714 5.842 -99.200 -91.000 TYR 27 0.840 -2.303 -0.574 7.912 -99.200 -91.000 PHE 33 1.000 -10.163 -1.156 5.715 -99.200 -91.000 PHE 36 1.000 -8.425 12.000 0.431 -99.200 -91.000 TRP 51 1.040 -10.179 -7.760 2.438 -99.200 -91.000 TRP6 51 1.020 -10.903 -6.033 3.872 -99.200 -91.000 TYR 59 0.840 -16.815 1.312 2.520 -99.200 -91.000 TRP 60 1.040 -15.770 2.294 -2.727 -99.200 -91.000 TRP6 60 1.020 -13.778 1.898 -1.508 -99.200 -91.000 HIS 70 0.900 -12.158 11.748 9.758 -99.200 -91.000 HIS 74 0.900 -6.066 15.109 11.621 -99.200 -91.000 TYR 84 0.840 -4.134 25.819 21.515 -99.200 -91.000 TYR 85 0.840 2.526 22.910 21.435 -99.200 -91.000 HIS 93 0.900 5.574 23.439 13.272 -99.200 -91.000 TYR 99 0.840 -10.889 7.386 13.925 -99.200 -91.000 TRP 107 1.040 -16.021 -13.306 15.532 -99.200 -91.000 TRP6 107 1.020 -16.202 -12.613 13.272 -99.200 -91.000 PHE 109 1.000 -15.474 -1.781 22.960 -99.200 -91.000 TYR 113 0.840 -6.567 0.548 21.151 -99.200 -91.000 HIS 114 0.900 -9.160 10.573 18.895 -99.200 -91.000 TYR 116 0.840 -4.984 15.316 16.793 -99.200 -91.000 TYR 118 0.840 2.036 20.795 16.574 -99.200 -91.000 TYR 123 0.840 -2.341 18.717 21.640 -99.200 -91.000 TRP 133 1.040 -11.052 13.538 26.196 -99.200 -91.000 TRP6 133 1.020 -10.780 12.636 24.030 -99.200 -91.000 HIS 145 0.900 -12.950 23.705 29.529 -99.200 -91.000 TRP 147 1.040 -11.543 17.791 21.555 -99.200 -91.000 TRP6 147 1.020 -9.966 16.181 20.835 -99.200 -91.000 HIS 151 0.900 -21.251 16.762 26.951 -99.200 -91.000 TYR 159 0.840 -16.053 5.048 14.722 -99.200 -91.000 TRP 167 1.040 -19.816 -0.211 8.892 -99.200 -91.000 TRP6 167 1.020 -20.107 -0.645 6.585 -99.200 -91.000 TYR 171 0.840 -14.681 -2.845 6.879 -99.200 -91.000 HIS 188 0.900 15.643 -20.192 4.830 -99.200 -91.000 HIS 191 0.900 27.897 -23.084 8.619 -99.200 -91.000 HIS 192 0.900 25.568 -16.992 5.349 -99.200 -91.000 HIS 197 0.900 40.391 -21.826 13.684 -99.200 -91.000 TRP 204 1.040 17.340 -16.397 6.571 -99.200 -91.000 TRP6 204 1.020 17.005 -14.321 5.510 -99.200 -91.000 PHE 208 1.000 6.714 -13.441 10.120 -99.200 -91.000 TYR 209 0.840 -1.910 -11.145 8.172 -99.200 -91.000 TRP 217 1.040 20.026 -17.932 16.817 -99.200 -91.000 TRP6 217 1.020 20.287 -20.017 15.742 -99.200 -91.000 PHE 241 1.000 3.829 -7.965 8.135 -99.200 -91.000 TRP 244 1.040 17.940 -11.540 8.814 -99.200 -91.000 TRP6 244 1.020 19.773 -10.971 10.195 -99.200 -91.000 TYR 257 0.840 25.631 -22.184 19.464 -99.200 -91.000 HIS 260 0.900 14.182 -23.238 20.888 -99.200 -91.000 HIS 263 0.900 2.909 -16.330 12.955 -99.200 -91.000 TRP 274 1.040 21.790 -29.508 9.689 -99.200 -91.000 TRP6 274 1.020 22.331 -31.529 10.784 -99.200 -91.000