============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 27 0.840 26.112 -12.351 61.014 -99.200 -91.000 PHE 29 1.000 29.286 -9.054 55.921 -99.200 -91.000 TYR 32 0.840 24.464 -16.945 58.711 -99.200 -91.000 TRP 36 1.040 20.055 -3.621 52.716 -99.200 -91.000 TRP6 36 1.020 20.568 -2.150 54.487 -99.200 -91.000 TRP 50 1.040 18.207 -11.839 48.098 -99.200 -91.000 TRP6 50 1.020 15.938 -11.923 47.456 -99.200 -91.000 TYR 54 0.840 26.897 -18.976 48.795 -99.200 -91.000 PHE 60 1.000 18.934 -4.042 43.827 -99.200 -91.000 PHE 64 1.000 12.071 -0.678 46.884 -99.200 -91.000 PHE 68 1.000 15.851 2.389 45.603 -99.200 -91.000 PHE 70 1.000 19.831 -4.099 48.134 -99.200 -91.000 PHE 71 1.000 28.235 0.011 49.026 -99.200 -91.000 TYR 80 0.840 28.552 0.625 53.966 -99.200 -91.000 TYR 93 0.840 14.742 3.087 53.291 -99.200 -91.000 PHE 94 1.000 12.944 -1.683 60.552 -99.200 -91.000 TYR 107 0.840 19.351 -13.971 65.138 -99.200 -91.000 TRP 108 1.040 14.011 -8.675 60.943 -99.200 -91.000 TRP6 108 1.020 12.808 -7.381 59.365 -99.200 -91.000 TYR 127 0.840 1.081 30.174 67.288 -99.200 -91.000 TYR 150 0.840 7.959 20.481 64.715 -99.200 -91.000 PHE 151 1.000 12.745 19.860 57.448 -99.200 -91.000 TRP 159 1.040 2.111 19.947 78.784 -99.200 -91.000 TRP6 159 1.020 0.914 21.933 78.312 -99.200 -91.000 HIS 169 0.900 -4.078 12.033 76.456 -99.200 -91.000 PHE 171 1.000 -3.231 14.337 70.916 -99.200 -91.000 TYR 180 0.840 7.820 17.143 59.673 -99.200 -91.000 HIS 204 0.900 13.385 22.255 65.782 -99.200 -91.000