============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 27 0.840 32.549 21.011 38.091 -99.200 -91.000 PHE 29 1.000 30.048 26.578 40.661 -99.200 -91.000 TYR 32 0.840 37.985 21.957 37.571 -99.200 -91.000 TYR 33 0.840 38.858 29.956 33.619 -99.200 -91.000 TRP 36 1.040 27.220 30.886 31.032 -99.200 -91.000 TRP6 36 1.020 25.049 30.047 31.455 -99.200 -91.000 TRP 47 1.040 33.042 31.916 24.727 -99.200 -91.000 TRP6 47 1.020 34.095 33.978 25.139 -99.200 -91.000 TRP 50 1.040 36.444 32.698 30.024 -99.200 -91.000 TRP6 50 1.020 37.260 33.990 31.831 -99.200 -91.000 PHE 52 1.000 38.754 30.208 38.429 -99.200 -91.000 TYR 60 0.840 30.303 39.425 30.511 -99.200 -91.000 PHE 64 1.000 26.328 37.209 22.600 -99.200 -91.000 PHE 80 1.000 21.929 31.386 39.319 -99.200 -91.000 TYR 93 0.840 20.701 32.379 24.900 -99.200 -91.000 PHE 94 1.000 23.643 23.894 23.783 -99.200 -91.000 TYR 101 0.840 42.316 17.661 27.873 -99.200 -91.000 TYR 105 0.840 32.750 16.453 31.761 -99.200 -91.000 TRP 106 1.040 29.597 21.286 25.471 -99.200 -91.000 TRP6 106 1.020 29.067 23.213 24.237 -99.200 -91.000 TYR 125 0.840 -7.996 25.287 8.587 -99.200 -91.000 TYR 145 0.840 1.516 25.452 16.296 -99.200 -91.000 PHE 146 1.000 3.778 32.450 20.759 -99.200 -91.000 TRP 154 1.040 -1.070 11.176 10.897 -99.200 -91.000 TRP6 154 1.020 -2.647 12.286 9.530 -99.200 -91.000 HIS 164 0.900 7.913 11.583 5.758 -99.200 -91.000 PHE 166 1.000 6.669 17.489 5.882 -99.200 -91.000 TYR 175 0.840 6.376 28.992 16.562 -99.200 -91.000 TRP 188 1.040 -8.967 7.947 3.380 -99.200 -91.000 TRP6 188 1.020 -9.182 9.232 1.414 -99.200 -91.000 HIS 199 0.900 -1.186 25.381 21.416 -99.200 -91.000