============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. TRP 6 1.040 21.040 25.548 46.280 -99.200 -91.000 TRP6 6 1.020 22.655 24.114 47.262 -99.200 -91.000 TYR 7 0.840 21.835 19.423 48.013 -99.200 -91.000 TYR 20 0.840 33.382 18.488 27.327 -99.200 -91.000 HIS 24 0.900 37.777 8.307 30.520 -99.200 -91.000 PHE 26 1.000 39.816 15.366 35.390 -99.200 -91.000 TYR 35 0.840 56.304 16.999 50.540 -99.200 -91.000 TYR 36 0.840 57.876 13.818 43.703 -99.200 -91.000 PHE 44 1.000 33.983 15.140 37.192 -99.200 -91.000 TYR 56 0.840 28.497 19.675 47.938 -99.200 -91.000 TYR 58 0.840 25.744 28.279 53.335 -99.200 -91.000 PHE 62 1.000 28.159 21.000 41.970 -99.200 -91.000 PHE 70 1.000 37.300 21.055 36.491 -99.200 -91.000 TYR 76 0.840 49.217 17.161 42.984 -99.200 -91.000 TYR 93 0.840 30.303 20.624 29.242 -99.200 -91.000 PHE 94 1.000 31.660 23.533 37.477 -99.200 -91.000 TYR 102 0.840 24.971 25.813 40.950 -99.200 -91.000 PHE 105 1.000 19.409 28.376 42.085 -99.200 -91.000