============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 2 1.000 67.876 -17.210 51.165 -99.200 -91.000 PHE 10 1.000 63.104 -8.553 43.523 -99.200 -91.000 PHE 12 1.000 57.895 -7.010 41.726 -99.200 -91.000 HIS 20 0.900 61.997 4.953 39.281 -99.200 -91.000 TYR 39 0.840 65.097 -6.211 16.258 -99.200 -91.000 TYR 41 0.840 70.431 -0.106 12.859 -99.200 -91.000 TRP 52 1.040 59.906 4.387 26.446 -99.200 -91.000 TRP6 52 1.020 59.970 3.824 28.735 -99.200 -91.000 PHE 53 1.000 60.152 7.694 31.897 -99.200 -91.000 PHE 61 1.000 50.291 1.672 26.508 -99.200 -91.000 PHE 76 1.000 62.804 -0.430 31.785 -99.200 -91.000 TRP 79 1.040 50.760 -2.869 28.735 -99.200 -91.000 TRP6 79 1.020 50.082 -4.022 30.675 -99.200 -91.000 PHE 82 1.000 51.432 -7.590 17.891 -99.200 -91.000 PHE 85 1.000 46.369 -0.850 11.543 -99.200 -91.000 TYR 88 0.840 46.029 -5.832 15.644 -99.200 -91.000 TYR 90 0.840 39.285 -6.035 24.447 -99.200 -91.000 HIS 94 0.900 55.936 -9.435 27.119 -99.200 -91.000 TYR 97 0.840 64.291 -3.311 27.392 -99.200 -91.000 HIS 99 0.900 72.864 -2.317 36.090 -99.200 -91.000 TYR 102 0.840 72.243 -5.405 40.441 -99.200 -91.000 HIS 110 0.900 61.879 -12.761 41.320 -99.200 -91.000 HIS 125 0.900 41.673 -12.809 24.797 -99.200 -91.000 HIS 142 0.900 59.269 -13.920 26.830 -99.200 -91.000 PHE 147 1.000 54.408 -14.490 27.528 -99.200 -91.000 HIS 149 0.900 57.598 -20.294 17.550 -99.200 -91.000 PHE 158 1.000 71.933 -5.734 8.133 -99.200 -91.000 PHE 160 1.000 74.888 -5.858 17.338 -99.200 -91.000 TRP 163 1.040 69.830 -10.497 5.937 -99.200 -91.000 TRP6 163 1.020 68.721 -8.417 5.705 -99.200 -91.000 PHE 168 1.000 56.398 -11.202 15.989 -99.200 -91.000 TYR 169 0.840 58.423 -17.767 21.798 -99.200 -91.000 HIS 178 0.900 30.968 -9.848 30.589 -99.200 -91.000