============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. HIS 5 0.900 25.686 14.724 33.098 -99.200 -91.000 PHE 19 1.000 34.033 3.344 37.154 -99.200 -91.000 PHE 21 1.000 28.149 5.445 36.366 -99.200 -91.000 TRP 25 1.040 17.759 6.788 38.729 -99.200 -91.000 TRP6 25 1.020 18.302 5.147 37.093 -99.200 -91.000 PHE 27 1.000 12.871 5.210 35.769 -99.200 -91.000 PHE 34 1.000 25.266 2.533 39.094 -99.200 -91.000 PHE 39 1.000 39.798 -4.097 39.302 -99.200 -91.000 TRP 52 1.040 23.894 -0.656 42.800 -99.200 -91.000 TRP6 52 1.020 21.963 -0.659 44.172 -99.200 -91.000 TRP 65 1.040 14.310 5.912 59.464 -99.200 -91.000 TRP6 65 1.020 13.947 3.614 59.068 -99.200 -91.000 PHE 75 1.000 27.470 -1.444 34.999 -99.200 -91.000 TRP 85 1.040 31.285 0.155 29.728 -99.200 -91.000 TRP6 85 1.020 33.071 -1.367 30.062 -99.200 -91.000 PHE 104 1.000 32.483 8.931 33.251 -99.200 -91.000 TYR 108 0.840 22.603 2.276 34.477 -99.200 -91.000