============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 13 1.000 31.320 12.490 5.627 -99.200 -91.000 HIS 23 0.900 36.585 -0.440 -8.301 -99.200 -91.000 TYR 26 0.840 25.294 3.145 -1.512 -99.200 -91.000 PHE 27 1.000 32.663 6.478 1.137 -99.200 -91.000 HIS 30 0.900 29.729 6.365 12.526 -99.200 -91.000 TYR 38 0.840 42.628 10.540 24.583 -99.200 -91.000 PHE 42 1.000 38.251 12.448 32.281 -99.200 -91.000 PHE 60 1.000 29.585 17.560 6.540 -99.200 -91.000 TYR 62 0.840 25.695 25.579 13.628 -99.200 -91.000 TRP 67 1.040 28.460 12.414 18.775 -99.200 -91.000 TRP6 67 1.020 26.961 10.626 18.363 -99.200 -91.000 HIS 77 0.900 34.477 27.633 28.269 -99.200 -91.000 PHE 89 1.000 38.333 10.843 10.045 -99.200 -91.000 PHE 90 1.000 35.215 11.090 2.285 -99.200 -91.000 HIS 94 0.900 38.670 -4.735 7.743 -99.200 -91.000 TYR 95 0.840 42.709 -2.839 -1.376 -99.200 -91.000 TYR 105 0.840 43.847 12.733 8.254 -99.200 -91.000 TYR 106 0.840 39.243 15.311 0.685 -99.200 -91.000 TYR 124 0.840 36.643 25.400 30.100 -99.200 -91.000 HIS 132 0.900 44.671 14.022 25.933 -99.200 -91.000 TYR 149 0.840 54.553 25.021 22.740 -99.200 -91.000 PHE 152 1.000 49.804 20.301 27.300 -99.200 -91.000 PHE 160 1.000 51.402 15.584 22.857 -99.200 -91.000 TRP 169 1.040 53.499 15.791 12.438 -99.200 -91.000 TRP6 169 1.020 53.777 17.187 14.320 -99.200 -91.000 PHE 185 1.000 54.362 23.701 28.118 -99.200 -91.000 HIS 186 0.900 56.652 15.744 34.906 -99.200 -91.000 PHE 189 1.000 47.381 10.553 33.867 -99.200 -91.000 PHE 213 1.000 58.398 8.658 24.646 -99.200 -91.000 TYR 216 0.840 61.398 14.258 27.455 -99.200 -91.000 TYR 232 0.840 56.666 0.689 30.397 -99.200 -91.000 TYR 233 0.840 51.960 1.880 38.311 -99.200 -91.000 TYR 238 0.840 48.809 -4.877 34.594 -99.200 -91.000 TYR 239 0.840 50.921 -7.810 27.619 -99.200 -91.000 TYR 243 0.840 39.959 -8.987 26.813 -99.200 -91.000 PHE 261 1.000 45.919 4.671 32.653 -99.200 -91.000 TYR 265 0.840 45.679 9.147 38.355 -99.200 -91.000 TYR 266 0.840 42.423 12.771 37.163 -99.200 -91.000 PHE 269 1.000 38.322 1.732 38.528 -99.200 -91.000 TYR 277 0.840 37.169 -1.983 35.184 -99.200 -91.000 PHE 304 1.000 35.185 -7.406 27.221 -99.200 -91.000