============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 3 1.000 -13.841 -3.328 -17.787 -99.200 -91.000 HIS 15 0.900 -12.198 -9.753 -11.097 -99.200 -91.000 TYR 20 0.840 -21.283 -11.170 -2.920 -99.200 -91.000 TYR 23 0.840 -29.352 -7.609 -5.371 -99.200 -91.000 TRP 28 1.040 -24.016 -7.572 -9.366 -99.200 -91.000 TRP6 28 1.020 -23.554 -6.215 -7.487 -99.200 -91.000 PHE 34 1.000 -28.963 2.971 -17.062 -99.200 -91.000 PHE 38 1.000 -21.267 -0.702 -19.472 -99.200 -91.000 TYR 53 0.840 -13.312 8.798 -5.189 -99.200 -91.000 TRP 62 1.040 -21.966 5.972 4.343 -99.200 -91.000 TRP6 62 1.020 -22.257 6.362 6.659 -99.200 -91.000 TRP 63 1.040 -19.670 2.294 1.143 -99.200 -91.000 TRP6 63 1.020 -20.079 0.484 2.609 -99.200 -91.000 TRP 108 1.040 -23.944 0.793 -6.309 -99.200 -91.000 TRP6 108 1.020 -23.760 -1.232 -5.107 -99.200 -91.000 TRP 111 1.040 -30.047 -2.525 -9.179 -99.200 -91.000 TRP6 111 1.020 -31.623 -2.988 -7.480 -99.200 -91.000 TRP 123 1.040 -28.742 -3.701 -18.685 -99.200 -91.000 TRP6 123 1.020 -27.726 -1.855 -19.753 -99.200 -91.000