============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 26 1.000 24.218 23.238 -2.452 -99.200 -91.000 PHE 51 1.000 29.492 23.293 -13.743 -99.200 -91.000 TRP 55 1.040 34.136 20.782 -10.281 -99.200 -91.000 TRP6 55 1.020 36.437 20.870 -10.916 -99.200 -91.000 HIS 60 0.900 39.770 24.992 -1.089 -99.200 -91.000 TYR 61 0.840 33.224 26.920 -1.151 -99.200 -91.000 HIS 63 0.900 40.366 19.068 2.022 -99.200 -91.000 PHE 65 1.000 29.675 19.976 6.170 -99.200 -91.000 TRP 81 1.040 37.322 28.576 15.139 -99.200 -91.000 TRP6 81 1.020 39.617 28.011 15.001 -99.200 -91.000 PHE 89 1.000 38.846 29.017 -4.060 -99.200 -91.000 PHE 94 1.000 43.917 38.804 8.153 -99.200 -91.000 HIS 101 0.900 26.749 36.798 17.783 -99.200 -91.000 TYR 107 0.840 25.461 32.532 5.603 -99.200 -91.000 PHE 116 1.000 28.939 21.094 0.752 -99.200 -91.000 PHE 122 1.000 30.772 32.459 6.347 -99.200 -91.000 PHE 133 1.000 36.966 47.883 1.819 -99.200 -91.000 TYR 144 0.840 31.483 58.417 -3.448 -99.200 -91.000 TRP 150 1.040 23.743 50.469 -1.414 -99.200 -91.000 TRP6 150 1.020 25.000 49.323 0.239 -99.200 -91.000 TYR 156 0.840 22.996 38.853 -10.783 -99.200 -91.000