============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 27 1.000 62.558 -44.912 -9.411 -99.200 -91.000 PHE 29 1.000 66.117 -42.158 -4.616 -99.200 -91.000 TYR 32 0.840 57.996 -41.578 -8.950 -99.200 -91.000 TYR 33 0.840 55.732 -38.756 -0.681 -99.200 -91.000 TYR 35 0.840 55.768 -45.424 0.026 -99.200 -91.000 TRP 36 1.040 63.413 -48.677 3.871 -99.200 -91.000 TRP6 36 1.020 64.685 -50.403 2.924 -99.200 -91.000 TRP 47 1.040 54.657 -47.560 5.983 -99.200 -91.000 TRP6 47 1.020 54.468 -46.303 7.974 -99.200 -91.000 TYR 57 0.840 58.505 -32.193 5.272 -99.200 -91.000 TYR 59 0.840 55.122 -38.586 6.949 -99.200 -91.000 TYR 60 0.840 61.185 -43.028 11.293 -99.200 -91.000 PHE 68 1.000 63.820 -50.691 12.718 -99.200 -91.000 TYR 80 0.840 71.576 -45.265 1.966 -99.200 -91.000 TYR 93 0.840 63.098 -55.341 7.993 -99.200 -91.000 TYR 94 0.840 59.261 -57.872 0.485 -99.200 -91.000 TYR 105 0.840 43.924 -43.172 -6.134 -99.200 -91.000 PHE 107 1.000 52.977 -49.754 0.517 -99.200 -91.000 TYR 109 0.840 56.769 -50.099 -10.863 -99.200 -91.000 TRP 110 1.040 55.595 -54.425 -3.486 -99.200 -91.000 TRP6 110 1.020 55.176 -54.883 -1.228 -99.200 -91.000 TYR 129 0.840 76.445 -84.358 3.976 -99.200 -91.000 TYR 152 0.840 70.705 -73.179 5.750 -99.200 -91.000 PHE 153 1.000 70.965 -68.672 12.675 -99.200 -91.000 TRP 161 1.040 68.682 -79.345 -8.745 -99.200 -91.000 TRP6 161 1.020 70.019 -81.192 -8.092 -99.200 -91.000 HIS 171 0.900 58.127 -80.634 -7.032 -99.200 -91.000 PHE 173 1.000 60.581 -81.147 -1.391 -99.200 -91.000 TYR 182 0.840 66.764 -71.700 9.136 -99.200 -91.000 HIS 206 0.900 74.685 -70.002 4.694 -99.200 -91.000