============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. HIS 24 0.900 3.830 -6.041 7.595 -99.200 -91.000 TYR 25 0.840 3.353 -3.847 11.835 -99.200 -91.000 PHE 32 1.000 -8.666 -1.722 13.926 -99.200 -91.000 HIS 42 0.900 3.718 17.192 -3.677 -99.200 -91.000 TYR 52 0.840 -0.329 2.831 -0.571 -99.200 -91.000 HIS 58 0.900 -6.274 10.725 -2.581 -99.200 -91.000 HIS 73 0.900 -1.143 33.915 15.129 -99.200 -91.000 PHE 76 1.000 4.036 31.724 13.923 -99.200 -91.000 TYR 79 0.840 2.737 26.525 13.079 -99.200 -91.000 TYR 80 0.840 -4.003 31.595 11.164 -99.200 -91.000 HIS 85 0.900 -6.236 17.938 5.645 -99.200 -91.000 TYR 86 0.840 -5.391 17.608 12.678 -99.200 -91.000 TRP 88 1.040 -13.577 19.026 4.171 -99.200 -91.000 TRP6 88 1.020 -12.609 17.116 3.156 -99.200 -91.000 PHE 94 1.000 -15.512 11.702 14.734 -99.200 -91.000 HIS 95 0.900 -20.273 16.590 11.551 -99.200 -91.000 PHE 97 1.000 -16.005 8.543 4.746 -99.200 -91.000 TYR 99 0.840 -16.237 5.183 9.466 -99.200 -91.000 PHE 115 1.000 -1.841 2.964 15.275 -99.200 -91.000 PHE 116 1.000 -3.931 -1.079 12.446 -99.200 -91.000 TYR 118 0.840 -2.387 2.052 23.137 -99.200 -91.000 PHE 119 1.000 -4.761 3.985 19.174 -99.200 -91.000 TYR 123 0.840 -14.691 2.304 20.726 -99.200 -91.000 TRP 133 1.040 -8.938 14.932 26.531 -99.200 -91.000 TRP6 133 1.020 -9.304 17.106 25.677 -99.200 -91.000 TRP 138 1.040 4.812 11.402 21.615 -99.200 -91.000 TRP6 138 1.020 6.262 10.849 19.827 -99.200 -91.000 TYR 156 0.840 3.082 4.810 33.190 -99.200 -91.000 PHE 160 1.000 1.962 17.995 27.167 -99.200 -91.000 PHE 161 1.000 -4.285 15.866 22.208 -99.200 -91.000 TRP 166 1.040 -4.818 12.689 18.130 -99.200 -91.000 TRP6 166 1.020 -6.836 13.856 18.542 -99.200 -91.000 TRP 173 1.040 -15.823 16.908 14.788 -99.200 -91.000 TRP6 173 1.020 -13.894 18.288 14.859 -99.200 -91.000 TRP 180 1.040 -10.569 23.014 14.561 -99.200 -91.000 TRP6 180 1.020 -9.861 21.227 15.945 -99.200 -91.000 PHE 184 1.000 -0.125 28.743 16.377 -99.200 -91.000 TRP 185 1.040 -4.109 20.640 15.531 -99.200 -91.000 TRP6 185 1.020 -4.315 18.667 16.821 -99.200 -91.000 TRP 188 1.040 -8.752 25.941 21.177 -99.200 -91.000 TRP6 188 1.020 -10.202 24.148 20.662 -99.200 -91.000 PHE 211 1.000 7.885 8.840 8.248 -99.200 -91.000 HIS 218 0.900 14.249 25.428 12.868 -99.200 -91.000 PHE 221 1.000 9.294 19.196 20.495 -99.200 -91.000 PHE 222 1.000 12.654 14.346 13.313 -99.200 -91.000 HIS 225 0.900 11.388 14.974 23.493 -99.200 -91.000 PHE 228 1.000 17.894 12.071 19.862 -99.200 -91.000 PHE 235 1.000 0.398 -8.142 18.801 -99.200 -91.000 PHE 238 1.000 -1.167 -2.938 24.878 -99.200 -91.000 TYR 245 0.840 -3.295 -0.973 34.291 -99.200 -91.000 TYR 251 0.840 -3.265 5.697 36.674 -99.200 -91.000 PHE 255 1.000 1.160 6.092 38.717 -99.200 -91.000 TYR 260 0.840 2.329 12.020 46.239 -99.200 -91.000 TYR 285 0.840 6.981 19.213 40.639 -99.200 -91.000 PHE 291 1.000 8.452 20.140 35.740 -99.200 -91.000 PHE 294 1.000 14.695 19.475 42.137 -99.200 -91.000 TYR 313 0.840 -3.527 11.068 36.474 -99.200 -91.000 PHE 319 1.000 12.015 10.601 35.115 -99.200 -91.000 PHE 321 1.000 19.019 9.674 35.628 -99.200 -91.000 HIS 327 0.900 6.601 6.977 40.350 -99.200 -91.000 TRP 334 1.040 -0.738 19.182 41.529 -99.200 -91.000 TRP6 334 1.020 -2.675 18.368 40.443 -99.200 -91.000 TYR 337 0.840 -1.743 19.725 35.961 -99.200 -91.000 TRP 341 1.040 3.719 26.726 38.312 -99.200 -91.000 TRP6 341 1.020 4.859 24.870 39.239 -99.200 -91.000