============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. HIS 4 0.900 64.977 8.655 45.227 -99.200 -91.000 TYR 26 0.840 63.680 -22.426 49.613 -99.200 -91.000 TRP 37 1.040 71.719 -16.561 56.625 -99.200 -91.000 TRP6 37 1.020 70.166 -16.021 54.956 -99.200 -91.000 HIS 38 0.900 65.252 -17.230 58.545 -99.200 -91.000 HIS 41 0.900 67.463 -12.268 53.209 -99.200 -91.000 TYR 42 0.840 63.410 -11.263 55.517 -99.200 -91.000 HIS 69 0.900 65.524 -27.261 56.471 -99.200 -91.000 TRP 74 1.040 52.681 -24.459 62.752 -99.200 -91.000 TRP6 74 1.020 54.543 -24.525 61.288 -99.200 -91.000 HIS 102 0.900 47.826 -24.758 53.062 -99.200 -91.000 TYR 111 0.840 58.077 -34.634 57.421 -99.200 -91.000 TYR 126 0.840 55.486 -30.481 43.123 -99.200 -91.000 PHE 144 1.000 45.602 -18.548 54.196 -99.200 -91.000 TYR 156 0.840 55.517 -9.758 60.268 -99.200 -91.000 HIS 162 0.900 52.259 -16.925 47.208 -99.200 -91.000 HIS 165 0.900 54.739 -16.839 42.618 -99.200 -91.000 TYR 167 0.840 53.505 -22.130 46.160 -99.200 -91.000 HIS 170 0.900 47.813 -20.153 40.311 -99.200 -91.000 PHE 172 1.000 40.135 -24.706 47.117 -99.200 -91.000 TYR 184 0.840 34.380 -23.712 49.390 -99.200 -91.000 PHE 194 1.000 40.949 -21.647 50.472 -99.200 -91.000 TRP 206 1.040 45.906 -6.491 58.530 -99.200 -91.000 TRP6 206 1.020 47.962 -7.053 59.553 -99.200 -91.000 PHE 213 1.000 50.600 -4.358 49.863 -99.200 -91.000 TYR 221 0.840 52.596 -17.216 31.403 -99.200 -91.000 TYR 234 0.840 39.049 -15.910 39.634 -99.200 -91.000 TYR 260 0.840 59.375 -10.133 27.966 -99.200 -91.000 TYR 263 0.840 58.644 -12.695 33.617 -99.200 -91.000 TYR 267 0.840 50.356 -11.249 32.393 -99.200 -91.000 TYR 314 0.840 74.063 -1.604 52.172 -99.200 -91.000 TRP 315 1.040 68.515 -1.479 42.486 -99.200 -91.000 TRP6 315 1.020 66.693 0.055 42.402 -99.200 -91.000 HIS 318 0.900 74.510 0.875 45.534 -99.200 -91.000 TYR 320 0.840 68.294 7.123 49.330 -99.200 -91.000 TRP 326 1.040 74.167 7.155 50.718 -99.200 -91.000 TRP6 326 1.020 75.308 5.103 50.416 -99.200 -91.000 TYR 330 0.840 76.794 1.652 56.487 -99.200 -91.000 PHE 334 1.000 76.392 11.239 47.760 -99.200 -91.000