============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. HIS 27 0.900 -7.039 8.446 0.371 -99.200 -91.000 TYR 31 0.840 -7.290 8.428 -8.608 -99.200 -91.000 TRP 32 1.040 -12.971 0.829 -9.901 -99.200 -91.000 TRP6 32 1.020 -12.560 -1.532 -9.947 -99.200 -91.000 TYR 33 0.840 -5.325 2.829 -12.013 -99.200 -91.000 HIS 39 0.900 4.411 -6.629 -18.166 -99.200 -91.000 HIS 45 0.900 -16.227 1.631 -14.067 -99.200 -91.000 TYR 46 0.840 -9.758 8.663 -13.110 -99.200 -91.000 TYR 48 0.840 -15.259 13.495 -9.106 -99.200 -91.000 TYR 62 0.840 -17.426 0.372 -18.030 -99.200 -91.000 PHE 72 1.000 -17.882 3.037 -8.796 -99.200 -91.000 TYR 87 0.840 -13.245 -6.658 -13.615 -99.200 -91.000 PHE 88 1.000 -5.693 -5.931 -8.858 -99.200 -91.000 PHE 100 1.000 -4.241 5.332 1.061 -99.200 -91.000 PHE 101 1.000 -3.868 0.007 -7.019 -99.200 -91.000 TYR 114 0.840 -3.264 -15.987 -29.873 -99.200 -91.000 TRP 150 1.040 20.164 -17.232 -10.284 -99.200 -91.000 TRP6 150 1.020 21.857 -18.734 -9.494 -99.200 -91.000 TYR 161 0.840 10.120 9.424 -23.155 -99.200 -91.000 PHE 166 1.000 7.395 13.051 -21.066 -99.200 -91.000 TYR 168 0.840 4.581 13.330 -12.076 -99.200 -91.000 PHE 169 1.000 8.032 9.551 -17.872 -99.200 -91.000 TRP 171 1.040 10.161 4.284 -12.485 -99.200 -91.000 TRP6 171 1.020 11.055 2.117 -12.985 -99.200 -91.000 TYR 172 0.840 1.142 4.086 -8.823 -99.200 -91.000 PHE 175 1.000 5.287 -6.269 -3.168 -99.200 -91.000 PHE 198 1.000 13.862 2.847 -6.119 -99.200 -91.000 PHE 201 1.000 21.546 5.967 -18.317 -99.200 -91.000 PHE 202 1.000 17.889 12.419 -20.145 -99.200 -91.000 HIS 212 0.900 22.240 1.030 -12.548 -99.200 -91.000 TYR 224 0.840 10.319 -3.009 -8.539 -99.200 -91.000 PHE 225 1.000 2.156 -2.941 -13.186 -99.200 -91.000 PHE 232 1.000 -8.352 17.052 -14.950 -99.200 -91.000 PHE 237 1.000 0.300 2.850 -14.273 -99.200 -91.000 TYR 248 0.840 8.910 -24.310 -6.214 -99.200 -91.000