============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. TYR 3 0.840 15.080 37.597 48.401 -99.200 -91.000 PHE 29 1.000 -1.404 42.500 56.354 -99.200 -91.000 HIS 31 0.900 4.628 37.366 48.009 -99.200 -91.000 PHE 35 1.000 11.439 29.509 49.410 -99.200 -91.000 PHE 41 1.000 19.423 25.399 53.759 -99.200 -91.000 HIS 50 0.900 29.367 35.701 54.530 -99.200 -91.000 HIS 56 0.900 27.729 29.467 66.451 -99.200 -91.000 TRP 60 1.040 20.743 32.273 72.320 -99.200 -91.000 TRP6 60 1.020 19.348 33.986 71.457 -99.200 -91.000 PHE 61 1.000 15.959 32.053 67.521 -99.200 -91.000 TYR 70 0.840 25.703 28.952 71.613 -99.200 -91.000 HIS 72 0.900 27.746 39.137 73.482 -99.200 -91.000 TRP 79 1.040 19.185 37.792 68.767 -99.200 -91.000 TRP6 79 1.020 16.960 38.521 69.112 -99.200 -91.000 TRP 82 1.040 16.771 44.316 69.127 -99.200 -91.000 TRP6 82 1.020 15.217 46.099 69.396 -99.200 -91.000 TYR 93 0.840 12.129 35.093 67.750 -99.200 -91.000 TRP 97 1.040 10.770 28.992 69.300 -99.200 -91.000 TRP6 97 1.020 12.406 28.302 67.745 -99.200 -91.000 TRP 100 1.040 2.978 29.811 76.572 -99.200 -91.000 TRP6 100 1.020 2.484 30.994 74.601 -99.200 -91.000 HIS 107 0.900 7.941 28.307 83.795 -99.200 -91.000 TRP 132 1.040 1.376 37.787 69.456 -99.200 -91.000 TRP6 132 1.020 2.861 39.361 68.520 -99.200 -91.000 HIS 146 0.900 11.649 35.239 62.037 -99.200 -91.000 PHE 148 1.000 0.546 29.678 64.537 -99.200 -91.000 PHE 149 1.000 8.232 27.226 64.648 -99.200 -91.000 PHE 151 1.000 7.504 22.034 62.643 -99.200 -91.000 TYR 152 0.840 0.197 18.613 55.436 -99.200 -91.000 TYR 163 0.840 1.218 35.876 59.888 -99.200 -91.000 PHE 170 1.000 19.671 43.744 50.104 -99.200 -91.000 PHE 175 1.000 21.424 36.786 56.724 -99.200 -91.000 TYR 180 0.840 11.549 29.807 61.565 -99.200 -91.000 HIS 185 0.900 17.067 19.863 55.018 -99.200 -91.000 PHE 198 1.000 10.112 28.187 55.612 -99.200 -91.000 TRP 200 1.040 8.563 33.981 54.799 -99.200 -91.000 TRP6 200 1.020 7.652 35.900 53.758 -99.200 -91.000 HIS 206 0.900 9.154 45.849 56.207 -99.200 -91.000 TYR 208 0.840 13.472 49.176 56.593 -99.200 -91.000 HIS 211 0.900 17.797 47.715 53.191 -99.200 -91.000 HIS 216 0.900 15.844 49.487 41.261 -99.200 -91.000 PHE 239 1.000 15.057 19.867 72.828 -99.200 -91.000 TYR 241 0.840 20.408 18.223 64.999 -99.200 -91.000 PHE 243 1.000 29.146 26.937 63.175 -99.200 -91.000 PHE 246 1.000 23.275 21.966 61.722 -99.200 -91.000 TYR 251 0.840 25.576 30.333 48.970 -99.200 -91.000 HIS 254 0.900 24.913 36.292 40.495 -99.200 -91.000