============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TRP 2 1.040 34.540 23.258 14.885 -99.200 -91.000 TRP6 2 1.020 32.910 22.708 16.508 -99.200 -91.000 PHE 24 1.000 32.253 26.032 -4.268 -99.200 -91.000 HIS 30 0.900 21.632 37.274 3.269 -99.200 -91.000 HIS 41 0.900 25.950 40.820 11.603 -99.200 -91.000 TYR 46 0.840 37.045 37.153 15.406 -99.200 -91.000 PHE 64 1.000 21.702 48.202 3.306 -99.200 -91.000 TYR 72 0.840 25.884 40.202 21.306 -99.200 -91.000 HIS 79 0.900 24.273 49.546 15.329 -99.200 -91.000 PHE 109 1.000 24.147 46.259 21.457 -99.200 -91.000 HIS 110 0.900 17.695 45.987 26.660 -99.200 -91.000 TYR 111 0.840 21.252 53.876 32.380 -99.200 -91.000 HIS 114 0.900 23.310 42.195 37.043 -99.200 -91.000 TYR 118 0.840 22.129 53.969 27.584 -99.200 -91.000 TYR 119 0.840 29.583 52.427 24.298 -99.200 -91.000 HIS 122 0.900 19.208 55.779 17.197 -99.200 -91.000 PHE 126 1.000 26.338 51.111 19.526 -99.200 -91.000 HIS 142 0.900 28.447 58.742 4.412 -99.200 -91.000 HIS 158 0.900 18.627 63.262 27.328 -99.200 -91.000 PHE 168 1.000 35.182 60.252 25.053 -99.200 -91.000 TYR 173 0.840 26.223 68.516 25.722 -99.200 -91.000 TYR 179 0.840 28.487 68.241 12.530 -99.200 -91.000 HIS 184 0.900 12.072 79.864 13.039 -99.200 -91.000 PHE 200 1.000 21.822 72.722 34.118 -99.200 -91.000 PHE 212 1.000 24.393 70.584 38.200 -99.200 -91.000 HIS 214 0.900 30.612 72.404 28.576 -99.200 -91.000 HIS 221 0.900 28.005 83.088 26.142 -99.200 -91.000