============================================================================= 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 16 1.000 29.503 38.159 57.142 -99.200 -91.000 TYR 17 0.840 27.340 39.680 48.931 -99.200 -91.000 TRP 30 1.040 14.465 40.995 53.984 -99.200 -91.000 TRP6 30 1.020 12.446 39.888 53.457 -99.200 -91.000 TYR 35 0.840 15.185 48.756 44.269 -99.200 -91.000 HIS 42 0.900 6.992 40.190 40.518 -99.200 -91.000 PHE 46 1.000 10.177 33.678 51.360 -99.200 -91.000 PHE 51 1.000 15.591 35.370 51.815 -99.200 -91.000 TRP 54 1.040 12.972 29.106 51.268 -99.200 -91.000 TRP6 54 1.020 14.201 30.081 49.502 -99.200 -91.000 TYR 55 0.840 20.105 33.004 50.496 -99.200 -91.000 HIS 62 0.900 24.617 22.047 46.542 -99.200 -91.000 TYR 65 0.840 14.600 25.639 38.221 -99.200 -91.000 PHE 73 1.000 25.906 31.419 39.242 -99.200 -91.000 HIS 77 0.900 35.555 34.190 38.855 -99.200 -91.000 TYR 84 0.840 29.534 46.634 41.297 -99.200 -91.000 HIS 85 0.900 32.798 36.753 41.561 -99.200 -91.000 PHE 97 1.000 1.633 34.260 33.871 -99.200 -91.000 TYR 100 0.840 10.575 37.675 44.926 -99.200 -91.000 PHE 110 1.000 20.999 37.239 37.291 -99.200 -91.000 PHE 120 1.000 12.064 27.174 28.263 -99.200 -91.000 TRP 136 1.040 26.453 24.419 35.688 -99.200 -91.000 TRP6 136 1.020 27.092 26.139 34.172 -99.200 -91.000 HIS 137 0.900 30.012 15.087 35.502 -99.200 -91.000