============================================================================= 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. TRP 12 1.040 34.194 42.608 88.059 -99.200 -91.000 TRP6 12 1.020 35.457 44.576 88.381 -99.200 -91.000 HIS 13 0.900 31.211 41.135 78.703 -99.200 -91.000 HIS 15 0.900 27.561 44.603 75.785 -99.200 -91.000 TYR 28 0.840 15.283 46.769 85.799 -99.200 -91.000 TYR 33 0.840 25.380 43.508 89.729 -99.200 -91.000 TYR 55 0.840 27.936 54.690 77.066 -99.200 -91.000 HIS 67 0.900 19.631 52.900 92.634 -99.200 -91.000 PHE 69 1.000 26.746 51.597 87.823 -99.200 -91.000 TYR 76 0.840 34.223 48.016 68.972 -99.200 -91.000 PHE 90 1.000 45.634 52.273 82.376 -99.200 -91.000 PHE 95 1.000 39.138 55.099 76.600 -99.200 -91.000 TYR 100 0.840 33.073 43.995 71.121 -99.200 -91.000 HIS 110 0.900 32.002 52.039 62.529 -99.200 -91.000 HIS 135 0.900 32.479 37.969 71.573 -99.200 -91.000 HIS 140 0.900 38.729 33.518 60.317 -99.200 -91.000 PHE 146 1.000 26.327 25.239 68.178 -99.200 -91.000 PHE 152 1.000 40.221 34.981 70.175 -99.200 -91.000 PHE 171 1.000 38.732 32.826 76.188 -99.200 -91.000 HIS 173 0.900 31.624 36.851 75.887 -99.200 -91.000 TYR 182 0.840 44.505 29.641 76.938 -99.200 -91.000 HIS 198 0.900 27.189 31.661 77.645 -99.200 -91.000 PHE 201 1.000 18.539 28.413 81.225 -99.200 -91.000 HIS 205 0.900 18.652 23.908 79.449 -99.200 -91.000 HIS 214 0.900 13.047 36.968 74.532 -99.200 -91.000 TYR 216 0.840 21.307 34.039 68.359 -99.200 -91.000 HIS 226 0.900 32.050 22.344 75.217 -99.200 -91.000 PHE 238 1.000 41.123 29.840 87.994 -99.200 -91.000 PHE 242 1.000 37.203 38.774 86.916 -99.200 -91.000 HIS 250 0.900 19.913 43.156 71.097 -99.200 -91.000 HIS 253 0.900 11.128 46.264 67.770 -99.200 -91.000 PHE 265 1.000 17.376 44.107 81.023 -99.200 -91.000 TYR 274 0.840 26.435 35.173 87.860 -99.200 -91.000 PHE 278 1.000 29.449 30.404 92.547 -99.200 -91.000 HIS 286 0.900 35.063 28.066 96.998 -99.200 -91.000 PHE 287 1.000 26.526 34.359 95.363 -99.200 -91.000 PHE 290 1.000 31.168 34.219 89.383 -99.200 -91.000 PHE 298 1.000 43.079 39.787 85.548 -99.200 -91.000 TYR 299 0.840 39.064 44.561 85.463 -99.200 -91.000 PHE 307 1.000 29.736 43.431 104.467 -99.200 -91.000 PHE 331 1.000 18.994 34.311 82.526 -99.200 -91.000 TRP 339 1.040 19.369 31.373 96.353 -99.200 -91.000 TRP6 339 1.020 19.925 31.697 98.622 -99.200 -91.000