============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 27 0.840 62.381 -11.359 48.699 -99.200 -91.000 PHE 29 1.000 60.431 -16.170 52.922 -99.200 -91.000 PHE 31 1.000 70.605 -13.632 50.983 -99.200 -91.000 TYR 32 0.840 66.068 -8.119 50.962 -99.200 -91.000 TRP 33 1.040 64.661 -8.218 59.274 -99.200 -91.000 TRP6 33 1.020 64.322 -9.057 61.464 -99.200 -91.000 TRP 36 1.040 53.494 -10.518 58.952 -99.200 -91.000 TRP6 36 1.020 51.915 -11.300 57.359 -99.200 -91.000 HIS 43 0.900 41.406 3.123 64.436 -99.200 -91.000 TRP 47 1.040 56.260 -2.974 62.179 -99.200 -91.000 TRP6 47 1.020 57.330 -3.707 64.158 -99.200 -91.000 TYR 60 0.840 55.694 -11.507 67.516 -99.200 -91.000 PHE 64 1.000 48.853 -5.968 66.887 -99.200 -91.000 PHE 70 1.000 54.772 -11.249 63.283 -99.200 -91.000 TYR 80 0.840 52.354 -19.881 56.081 -99.200 -91.000 TYR 93 0.840 44.983 -7.509 59.863 -99.200 -91.000 TYR 94 0.840 48.237 -3.043 52.860 -99.200 -91.000 TYR 99 0.840 69.132 -5.447 55.231 -99.200 -91.000 TYR 104 0.840 60.159 -4.346 45.468 -99.200 -91.000 TRP 105 1.040 54.638 -1.495 51.428 -99.200 -91.000 TRP6 105 1.020 53.436 -1.006 53.407 -99.200 -91.000 TYR 124 0.840 14.943 0.520 55.064 -99.200 -91.000 TYR 147 0.840 25.801 -4.061 52.369 -99.200 -91.000 PHE 148 1.000 29.252 -10.402 56.948 -99.200 -91.000 TRP 156 1.040 20.986 6.125 41.875 -99.200 -91.000 TRP6 156 1.020 19.040 6.599 43.130 -99.200 -91.000 HIS 166 0.900 28.022 13.157 44.853 -99.200 -91.000 PHE 168 1.000 27.222 9.897 49.933 -99.200 -91.000 TYR 177 0.840 30.432 -4.801 55.364 -99.200 -91.000 TRP 190 1.040 11.241 11.768 41.481 -99.200 -91.000 TRP6 190 1.020 10.651 12.818 43.515 -99.200 -91.000 HIS 201 0.900 24.624 -8.859 49.620 -99.200 -91.000