============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 6 0.900 45.995 38.033 92.615 -99.200 -91.000 HIS 28 0.900 42.196 33.589 84.145 -99.200 -91.000 PHE 59 1.000 23.467 32.472 82.436 -99.200 -91.000 HIS 88 0.900 53.655 43.504 98.701 -99.200 -91.000 PHE 108 1.000 54.847 47.895 83.710 -99.200 -91.000 PHE 114 1.000 56.810 48.349 96.750 -99.200 -91.000 HIS 118 0.900 54.918 33.975 91.217 -99.200 -91.000 PHE 121 1.000 56.393 43.585 86.903 -99.200 -91.000 PHE 143 1.000 57.650 45.003 80.694 -99.200 -91.000 HIS 147 0.900 47.987 46.154 70.734 -99.200 -91.000 PHE 148 1.000 44.291 41.323 76.402 -99.200 -91.000 PHE 149 1.000 44.116 43.944 68.440 -99.200 -91.000 PHE 171 1.000 55.481 33.331 72.703 -99.200 -91.000 PHE 177 1.000 45.872 35.999 81.496 -99.200 -91.000 HIS 184 0.900 44.044 32.035 67.167 -99.200 -91.000 PHE 194 1.000 53.104 45.877 69.687 -99.200 -91.000 TYR 203 0.840 43.189 50.542 54.484 -99.200 -91.000 TYR 211 0.840 38.389 63.637 51.464 -99.200 -91.000 TYR 231 0.840 39.710 45.963 53.836 -99.200 -91.000 PHE 236 1.000 38.376 58.857 54.202 -99.200 -91.000 TYR 241 0.840 34.756 51.061 66.131 -99.200 -91.000 PHE 249 1.000 50.271 59.257 71.495 -99.200 -91.000 TRP 254 1.040 54.288 54.077 64.249 -99.200 -91.000 TRP6 254 1.020 52.398 53.274 63.074 -99.200 -91.000 HIS 255 0.900 56.712 62.883 60.166 -99.200 -91.000 HIS 264 0.900 55.226 55.527 59.459 -99.200 -91.000 PHE 279 1.000 39.930 64.796 69.830 -99.200 -91.000 PHE 287 1.000 38.939 61.990 58.045 -99.200 -91.000 TYR 288 0.840 32.036 59.729 56.648 -99.200 -91.000 TYR 290 0.840 30.254 59.134 63.197 -99.200 -91.000