============================================================================= 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. HIS 2 0.900 -7.837 -41.207 28.212 -99.200 -91.000 HIS 4 0.900 -7.895 -39.812 21.137 -99.200 -91.000 HIS 20 0.900 12.796 -23.786 14.646 -99.200 -91.000 PHE 57 1.000 7.520 -4.367 -14.651 -99.200 -91.000 TYR 58 0.840 4.727 -3.430 -6.327 -99.200 -91.000 PHE 79 1.000 -5.223 -12.298 -3.635 -99.200 -91.000 HIS 80 0.900 -5.585 -19.027 -5.896 -99.200 -91.000 TYR 84 0.840 -1.776 -21.399 -8.370 -99.200 -91.000 PHE 93 1.000 5.929 -13.655 -10.196 -99.200 -91.000 TYR 137 0.840 -3.512 -22.016 -1.925 -99.200 -91.000 PHE 144 1.000 5.267 -18.391 4.841 -99.200 -91.000 TRP 147 1.040 -7.814 -16.613 9.609 -99.200 -91.000 TRP6 147 1.020 -9.311 -17.989 8.402 -99.200 -91.000 HIS 156 0.900 -19.247 0.443 25.043 -99.200 -91.000 TYR 173 0.840 -4.582 -19.907 9.514 -99.200 -91.000 HIS 196 0.900 -5.494 2.705 21.310 -99.200 -91.000 TYR 203 0.840 -6.293 -4.827 30.650 -99.200 -91.000 TYR 213 0.840 0.205 -18.077 21.566 -99.200 -91.000 HIS 219 0.900 -9.884 -25.165 18.118 -99.200 -91.000 HIS 220 0.900 -6.341 -31.283 21.190 -99.200 -91.000 TYR 222 0.840 5.140 -29.175 16.645 -99.200 -91.000 HIS 237 0.900 -2.614 7.859 12.992 -99.200 -91.000 TYR 243 0.840 3.319 6.481 25.299 -99.200 -91.000 HIS 245 0.900 11.658 5.152 17.842 -99.200 -91.000 PHE 269 1.000 6.992 -7.696 17.024 -99.200 -91.000 TRP 295 1.040 8.665 -16.221 22.267 -99.200 -91.000 TRP6 295 1.020 8.818 -14.039 23.167 -99.200 -91.000 PHE 299 1.000 11.943 -8.267 7.947 -99.200 -91.000 TYR 301 0.840 8.132 -4.475 9.383 -99.200 -91.000 TRP 313 1.040 6.764 0.132 -11.314 -99.200 -91.000 TRP6 313 1.020 4.639 -0.779 -10.815 -99.200 -91.000 TYR 327 0.840 12.206 -6.072 -1.481 -99.200 -91.000 TYR 342 0.840 17.915 0.725 10.486 -99.200 -91.000 PHE 357 1.000 -4.041 5.144 11.020 -99.200 -91.000