============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 12 1.040 3.681 39.719 31.550 -99.200 -91.000 TRP6 12 1.020 4.595 39.843 29.384 -99.200 -91.000 TYR 20 0.840 -1.290 21.237 45.669 -99.200 -91.000 TRP 26 1.040 -8.749 26.238 46.749 -99.200 -91.000 TRP6 26 1.020 -9.098 24.548 45.146 -99.200 -91.000 HIS 28 0.900 1.478 29.046 41.431 -99.200 -91.000 TRP 39 1.040 -10.907 24.160 25.753 -99.200 -91.000 TRP6 39 1.020 -10.328 21.940 26.231 -99.200 -91.000 HIS 45 0.900 6.412 19.708 34.811 -99.200 -91.000 PHE 53 1.000 -4.186 19.477 39.397 -99.200 -91.000 HIS 60 0.900 0.453 41.594 40.284 -99.200 -91.000 TYR 71 0.840 -10.365 33.059 43.370 -99.200 -91.000 HIS 80 0.900 1.322 14.870 22.739 -99.200 -91.000 TYR 82 0.840 2.362 10.497 20.521 -99.200 -91.000 TRP 83 1.040 3.691 13.681 30.778 -99.200 -91.000 TRP6 83 1.020 5.748 14.825 30.887 -99.200 -91.000 TYR 91 0.840 6.187 13.696 22.348 -99.200 -91.000 TYR 107 0.840 -7.165 44.020 35.866 -99.200 -91.000 TYR 127 0.840 10.261 40.869 29.476 -99.200 -91.000 TRP 131 1.040 1.994 34.521 41.050 -99.200 -91.000 TRP6 131 1.020 0.560 34.119 39.229 -99.200 -91.000 TYR 148 0.840 15.278 40.490 27.369 -99.200 -91.000 TYR 154 0.840 18.395 20.899 18.259 -99.200 -91.000 TYR 161 0.840 24.761 26.999 26.041 -99.200 -91.000 TRP 162 1.040 19.435 22.654 29.090 -99.200 -91.000 TRP6 162 1.020 18.806 21.437 30.995 -99.200 -91.000 HIS 191 0.900 3.881 35.949 28.414 -99.200 -91.000 TYR 198 0.840 6.077 40.930 24.527 -99.200 -91.000 HIS 201 0.900 6.858 32.549 19.786 -99.200 -91.000 PHE 206 1.000 13.992 20.092 30.389 -99.200 -91.000 PHE 221 1.000 10.692 28.608 28.776 -99.200 -91.000 TYR 227 0.840 3.861 19.758 21.380 -99.200 -91.000 TRP 230 1.040 -2.188 17.132 21.411 -99.200 -91.000 TRP6 230 1.020 -2.248 18.398 23.396 -99.200 -91.000