============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 10 1.000 21.459 57.806 18.490 -99.200 -91.000 TRP 21 1.040 40.696 54.189 13.062 -99.200 -91.000 TRP6 21 1.020 42.036 53.711 11.148 -99.200 -91.000 TRP 28 1.040 42.974 45.581 6.969 -99.200 -91.000 TRP6 28 1.020 43.214 47.654 8.080 -99.200 -91.000 PHE 35 1.000 30.008 42.421 6.705 -99.200 -91.000 HIS 36 0.900 25.327 36.447 10.406 -99.200 -91.000 PHE 50 1.000 9.706 43.652 9.742 -99.200 -91.000 HIS 54 0.900 8.858 57.268 14.459 -99.200 -91.000 TRP 57 1.040 6.579 43.075 13.870 -99.200 -91.000 TRP6 57 1.020 4.836 42.699 12.300 -99.200 -91.000 PHE 68 1.000 6.926 50.324 3.347 -99.200 -91.000 PHE 72 1.000 8.948 46.531 -0.257 -99.200 -91.000 HIS 81 0.900 21.038 47.458 0.960 -99.200 -91.000 PHE 95 1.000 26.429 32.372 2.388 -99.200 -91.000 HIS 105 0.900 21.896 42.521 1.268 -99.200 -91.000 PHE 110 1.000 26.766 39.645 -1.607 -99.200 -91.000 HIS 119 0.900 13.539 35.989 8.107 -99.200 -91.000 PHE 123 1.000 11.769 43.784 -6.240 -99.200 -91.000 TYR 134 0.840 11.065 31.361 -13.592 -99.200 -91.000 TRP 167 1.040 3.321 36.293 11.633 -99.200 -91.000 TRP6 167 1.020 4.726 36.981 13.408 -99.200 -91.000 HIS 225 0.900 21.491 36.266 20.435 -99.200 -91.000 HIS 228 0.900 25.843 35.359 24.330 -99.200 -91.000 HIS 234 0.900 25.512 50.328 21.182 -99.200 -91.000 TYR 236 0.840 21.638 57.212 12.396 -99.200 -91.000 HIS 247 0.900 38.794 53.586 9.663 -99.200 -91.000 TRP 255 1.040 22.005 49.570 -7.767 -99.200 -91.000 TRP6 255 1.020 19.899 50.515 -7.961 -99.200 -91.000