============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. TYR 4 0.840 63.887 42.732 24.842 -99.200 -91.000 PHE 15 1.000 63.030 57.824 40.130 -99.200 -91.000 TRP 19 1.040 64.082 55.889 48.839 -99.200 -91.000 TRP6 19 1.020 61.776 56.301 48.544 -99.200 -91.000 HIS 24 0.900 61.680 61.270 56.499 -99.200 -91.000 PHE 30 1.000 41.002 55.593 55.919 -99.200 -91.000 PHE 36 1.000 34.259 56.846 50.316 -99.200 -91.000 TYR 39 0.840 31.913 59.924 46.627 -99.200 -91.000 TYR 47 0.840 35.671 66.890 41.011 -99.200 -91.000 TRP 50 1.040 31.248 66.934 30.209 -99.200 -91.000 TRP6 50 1.020 29.241 65.692 30.075 -99.200 -91.000 PHE 53 1.000 28.110 62.559 26.226 -99.200 -91.000 PHE 54 1.000 30.644 66.766 23.829 -99.200 -91.000 TRP 57 1.040 26.523 60.591 22.465 -99.200 -91.000 TRP6 57 1.020 24.675 59.388 21.608 -99.200 -91.000 TYR 63 0.840 28.513 54.016 9.926 -99.200 -91.000 PHE 68 1.000 21.005 57.274 17.352 -99.200 -91.000 PHE 72 1.000 22.289 61.996 16.532 -99.200 -91.000 TYR 83 0.840 27.508 69.523 27.512 -99.200 -91.000 HIS 87 0.900 25.249 68.835 31.732 -99.200 -91.000 PHE 107 1.000 44.508 55.994 52.209 -99.200 -91.000 TRP 108 1.040 46.151 47.916 54.324 -99.200 -91.000 TRP6 108 1.020 44.909 48.343 52.358 -99.200 -91.000 HIS 118 0.900 57.198 42.122 50.373 -99.200 -91.000 TYR 120 0.840 55.773 45.154 55.813 -99.200 -91.000 PHE 135 1.000 48.702 45.385 45.957 -99.200 -91.000 TYR 136 0.840 54.393 39.363 44.249 -99.200 -91.000 TYR 148 0.840 67.083 50.308 31.537 -99.200 -91.000 TYR 149 0.840 61.173 55.893 35.460 -99.200 -91.000 PHE 154 1.000 57.358 55.557 40.531 -99.200 -91.000 HIS 159 0.900 66.100 45.594 55.237 -99.200 -91.000 TYR 165 0.840 52.575 55.167 56.108 -99.200 -91.000 PHE 169 1.000 40.858 54.275 42.330 -99.200 -91.000 PHE 174 1.000 27.271 48.611 42.044 -99.200 -91.000 TYR 183 0.840 16.946 54.644 28.998 -99.200 -91.000 TYR 190 0.840 19.832 60.242 21.758 -99.200 -91.000 PHE 206 1.000 32.985 57.140 43.705 -99.200 -91.000 HIS 211 0.900 44.897 60.364 42.534 -99.200 -91.000 TRP 219 1.040 48.860 59.217 51.881 -99.200 -91.000 TRP6 219 1.020 49.348 57.538 50.285 -99.200 -91.000 TYR 221 0.840 49.802 62.531 48.221 -99.200 -91.000 TYR 237 0.840 46.564 64.222 39.842 -99.200 -91.000 TYR 246 0.840 44.412 50.906 32.561 -99.200 -91.000 HIS 252 0.900 44.303 43.140 32.869 -99.200 -91.000 TRP 259 1.040 37.650 43.029 43.719 -99.200 -91.000 TRP6 259 1.020 38.590 44.774 42.422 -99.200 -91.000 TYR 288 0.840 44.014 56.272 45.653 -99.200 -91.000 PHE 289 1.000 52.571 52.993 43.499 -99.200 -91.000 TYR 296 0.840 49.534 57.322 35.884 -99.200 -91.000 PHE 297 1.000 56.810 52.449 35.111 -99.200 -91.000 TYR 310 0.840 55.377 39.257 37.988 -99.200 -91.000 TRP 324 1.040 47.774 35.181 34.415 -99.200 -91.000 TRP6 324 1.020 45.464 35.486 34.013 -99.200 -91.000 TYR 331 0.840 60.279 35.142 26.656 -99.200 -91.000