============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. HIS 4 0.900 23.914 43.380 45.631 -99.200 -91.000 TYR 12 0.840 15.727 37.506 37.652 -99.200 -91.000 TRP 29 1.040 19.392 43.696 53.077 -99.200 -91.000 TRP6 29 1.020 17.290 44.042 52.072 -99.200 -91.000 TRP 33 1.040 14.455 53.686 50.078 -99.200 -91.000 TRP6 33 1.020 15.430 52.568 48.238 -99.200 -91.000 TYR 36 0.840 13.983 47.867 48.481 -99.200 -91.000 TYR 41 0.840 10.155 37.136 37.264 -99.200 -91.000 TRP 52 1.040 14.705 22.355 39.229 -99.200 -91.000 TRP6 52 1.020 14.463 24.690 38.935 -99.200 -91.000 PHE 62 1.000 9.402 26.039 52.095 -99.200 -91.000 PHE 66 1.000 14.684 30.367 55.073 -99.200 -91.000 HIS 72 0.900 17.508 14.152 50.965 -99.200 -91.000 TYR 82 0.840 20.483 32.714 54.894 -99.200 -91.000 TRP 107 1.040 11.552 30.625 49.196 -99.200 -91.000 TRP6 107 1.020 10.908 32.819 48.612 -99.200 -91.000 HIS 111 0.900 25.322 26.989 49.060 -99.200 -91.000 TRP 120 1.040 53.117 23.818 37.074 -99.200 -91.000 TRP6 120 1.020 52.888 26.123 37.550 -99.200 -91.000 HIS 130 0.900 55.171 36.207 30.011 -99.200 -91.000 HIS 136 0.900 58.250 27.167 35.665 -99.200 -91.000 PHE 140 1.000 40.683 28.263 33.470 -99.200 -91.000 TRP 151 1.040 36.378 30.571 25.508 -99.200 -91.000 TRP6 151 1.020 36.693 28.254 25.144 -99.200 -91.000 PHE 171 1.000 37.665 18.418 34.935 -99.200 -91.000 HIS 194 0.900 39.658 7.885 44.402 -99.200 -91.000 PHE 197 1.000 37.938 16.464 40.991 -99.200 -91.000 HIS 201 0.900 40.572 19.694 48.367 -99.200 -91.000 TYR 205 0.840 34.163 33.941 46.680 -99.200 -91.000 TYR 208 0.840 25.918 38.121 46.818 -99.200 -91.000 TRP 219 1.040 22.581 34.576 48.560 -99.200 -91.000 TRP6 219 1.020 20.900 34.909 50.201 -99.200 -91.000 TYR 226 0.840 39.527 19.195 43.397 -99.200 -91.000 HIS 227 0.900 49.096 22.623 40.144 -99.200 -91.000 TRP 248 1.040 44.292 20.951 29.104 -99.200 -91.000 TRP6 248 1.020 44.388 20.818 31.460 -99.200 -91.000 TYR 258 0.840 28.895 32.181 33.627 -99.200 -91.000 HIS 261 0.900 33.223 30.831 36.203 -99.200 -91.000 PHE 264 1.000 35.212 32.555 41.600 -99.200 -91.000 HIS 275 0.900 52.838 35.546 32.773 -99.200 -91.000 TRP 276 1.040 47.390 38.258 37.170 -99.200 -91.000 TRP6 276 1.020 45.541 36.923 36.548 -99.200 -91.000 HIS 285 0.900 55.841 53.667 34.225 -99.200 -91.000