============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TYR 10 0.840 32.801 51.128 26.114 -99.200 -91.000 PHE 13 1.000 34.928 51.508 20.839 -99.200 -91.000 TYR 18 0.840 32.185 49.122 17.297 -99.200 -91.000 TYR 23 0.840 29.221 48.269 11.984 -99.200 -91.000 TRP 39 1.040 17.275 40.738 10.866 -99.200 -91.000 TRP6 39 1.020 17.474 41.908 12.918 -99.200 -91.000 PHE 48 1.000 13.353 55.673 10.559 -99.200 -91.000 TYR 68 0.840 24.614 50.419 11.599 -99.200 -91.000 HIS 76 0.900 11.145 58.828 6.820 -99.200 -91.000 PHE 77 1.000 12.628 61.689 12.642 -99.200 -91.000 PHE 85 1.000 32.124 57.916 28.576 -99.200 -91.000 TRP 96 1.040 30.942 58.890 6.212 -99.200 -91.000 TRP6 96 1.020 28.719 59.698 6.250 -99.200 -91.000 PHE 104 1.000 34.127 51.788 7.918 -99.200 -91.000 TRP 106 1.040 30.155 54.564 7.679 -99.200 -91.000 TRP6 106 1.020 29.633 52.580 8.851 -99.200 -91.000 TYR 109 0.840 27.215 48.538 6.485 -99.200 -91.000 HIS 112 0.900 21.418 45.751 1.643 -99.200 -91.000 TRP 123 1.040 26.559 55.106 -4.003 -99.200 -91.000 TRP6 123 1.020 28.511 56.082 -3.088 -99.200 -91.000 HIS 143 0.900 25.628 53.834 32.848 -99.200 -91.000 PHE 165 1.000 24.543 46.085 17.562 -99.200 -91.000 PHE 177 1.000 19.145 47.224 28.563 -99.200 -91.000 HIS 183 0.900 19.644 57.755 34.148 -99.200 -91.000 HIS 193 0.900 6.788 56.207 16.908 -99.200 -91.000 TRP 204 1.040 33.639 37.525 25.348 -99.200 -91.000 TRP6 204 1.020 35.006 37.636 23.413 -99.200 -91.000 TYR 205 0.840 31.889 45.621 22.492 -99.200 -91.000 TYR 231 0.840 10.329 53.864 25.229 -99.200 -91.000 TYR 239 0.840 21.021 37.962 11.705 -99.200 -91.000 HIS 244 0.900 27.690 33.221 7.444 -99.200 -91.000 PHE 256 1.000 17.888 44.426 21.510 -99.200 -91.000 PHE 257 1.000 13.767 47.462 14.408 -99.200 -91.000 TRP 259 1.040 8.235 51.496 15.810 -99.200 -91.000 TRP6 259 1.020 6.511 51.023 14.266 -99.200 -91.000