============================================================================= 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. TYR 2 0.840 39.248 69.207 26.773 -99.200 -91.000 PHE 10 1.000 27.501 67.690 28.257 -99.200 -91.000 PHE 12 1.000 33.673 60.714 21.684 -99.200 -91.000 TRP 17 1.040 38.017 57.684 27.704 -99.200 -91.000 TRP6 17 1.020 39.407 57.980 25.813 -99.200 -91.000 PHE 35 1.000 36.227 32.068 31.844 -99.200 -91.000 PHE 48 1.000 37.146 42.060 30.545 -99.200 -91.000 TRP 52 1.040 35.546 49.788 31.128 -99.200 -91.000 TRP6 52 1.020 33.395 49.042 30.490 -99.200 -91.000 PHE 62 1.000 43.671 60.920 26.385 -99.200 -91.000 PHE 67 1.000 49.916 56.731 22.498 -99.200 -91.000 TYR 70 0.840 35.872 56.670 23.459 -99.200 -91.000 TYR 72 0.840 29.615 54.120 23.631 -99.200 -91.000 PHE 87 1.000 32.720 38.225 31.493 -99.200 -91.000 TYR 139 0.840 41.103 57.374 19.770 -99.200 -91.000 PHE 144 1.000 39.722 63.256 24.359 -99.200 -91.000 TRP 152 1.040 43.493 74.076 28.661 -99.200 -91.000 TRP6 152 1.020 42.819 72.595 30.382 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs =============================================================================