============================================================================= 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. TYR 27 0.840 -34.469 51.181 -5.995 -99.200 -91.000 PHE 29 1.000 -36.380 45.027 -5.603 -99.200 -91.000 TYR 32 0.840 -31.224 51.859 -10.154 -99.200 -91.000 TRP 36 1.040 -27.695 40.703 -0.183 -99.200 -91.000 TRP6 36 1.020 -28.511 41.346 1.917 -99.200 -91.000 TRP 47 1.040 -19.890 42.611 -4.085 -99.200 -91.000 TRP6 47 1.020 -20.148 40.990 -5.735 -99.200 -91.000 TRP 50 1.040 -25.490 41.401 -9.476 -99.200 -91.000 TRP6 50 1.020 -24.720 39.869 -11.005 -99.200 -91.000 TYR 54 0.840 -34.828 44.200 -16.049 -99.200 -91.000 TYR 60 0.840 -25.247 32.840 -4.148 -99.200 -91.000 PHE 64 1.000 -19.045 36.038 2.003 -99.200 -91.000 PHE 68 1.000 -22.760 33.438 4.154 -99.200 -91.000 PHE 70 1.000 -26.532 36.905 -2.266 -99.200 -91.000 TYR 80 0.840 -37.259 38.358 1.925 -99.200 -91.000 TYR 93 0.840 -23.915 39.432 7.313 -99.200 -91.000 PHE 94 1.000 -23.090 48.187 6.073 -99.200 -91.000 TYR 100 0.840 -28.466 46.136 -13.801 -99.200 -91.000 TRP 103 1.040 -20.893 48.022 -14.242 -99.200 -91.000 TRP6 103 1.020 -22.020 46.008 -13.730 -99.200 -91.000 TYR 104 0.840 -22.920 55.034 -9.427 -99.200 -91.000 PHE 105 1.000 -21.633 47.960 -5.118 -99.200 -91.000 TRP 108 1.040 -23.526 52.002 0.114 -99.200 -91.000 TRP6 108 1.020 -22.125 50.236 0.627 -99.200 -91.000 TYR 127 0.840 -15.565 42.516 40.265 -99.200 -91.000 TYR 150 0.840 -21.138 43.634 29.267 -99.200 -91.000 PHE 151 1.000 -24.243 37.006 24.558 -99.200 -91.000 TRP 159 1.040 -18.275 57.508 35.923 -99.200 -91.000 TRP6 159 1.020 -17.065 56.520 37.652 -99.200 -91.000 HIS 169 0.900 -11.043 59.663 28.935 -99.200 -91.000 PHE 171 1.000 -10.724 53.566 28.156 -99.200 -91.000 TYR 180 0.840 -19.764 41.031 24.382 -99.200 -91.000 HIS 204 0.900 -26.671 43.024 30.602 -99.200 -91.000