============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 6 1.000 41.611 43.612 -15.935 -99.200 -91.000 TYR 7 0.840 44.730 35.762 -13.066 -99.200 -91.000 PHE 25 1.000 46.689 46.161 -3.028 -99.200 -91.000 TYR 47 0.840 38.568 47.106 -12.408 -99.200 -91.000 TYR 49 0.840 43.523 54.232 -7.823 -99.200 -91.000 TRP 57 1.040 55.158 30.914 -19.511 -99.200 -91.000 TRP6 57 1.020 55.702 28.650 -19.108 -99.200 -91.000 TRP 66 1.040 48.876 39.538 -19.635 -99.200 -91.000 TRP6 66 1.020 47.673 41.585 -19.682 -99.200 -91.000 TYR 70 0.840 52.159 44.412 -27.119 -99.200 -91.000 PHE 78 1.000 46.125 50.749 -20.535 -99.200 -91.000 TYR 85 0.840 52.999 47.563 -15.583 -99.200 -91.000 PHE 86 1.000 50.936 39.982 -10.359 -99.200 -91.000 TYR 94 0.840 64.154 30.273 -19.457 -99.200 -91.000 PHE 98 1.000 64.071 37.301 -12.790 -99.200 -91.000 TYR 119 0.840 59.171 52.705 -11.442 -99.200 -91.000 TRP 120 1.040 60.731 44.069 -5.779 -99.200 -91.000 TRP6 120 1.020 59.627 44.497 -3.740 -99.200 -91.000 TYR 125 0.840 64.332 39.866 -7.602 -99.200 -91.000 PHE 127 1.000 68.111 40.917 -13.151 -99.200 -91.000 PHE 138 1.000 63.567 43.013 -11.537 -99.200 -91.000 TRP 159 1.040 55.035 45.731 -5.668 -99.200 -91.000 TRP6 159 1.020 53.198 44.966 -6.958 -99.200 -91.000 PHE 167 1.000 47.503 51.024 -7.140 -99.200 -91.000