============================================================================= 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. HIS 1 0.900 17.873 64.029 -3.666 -99.200 -91.000 PHE 31 1.000 16.824 50.976 17.700 -99.200 -91.000 PHE 37 1.000 15.152 61.732 -1.084 -99.200 -91.000 TRP 49 1.040 15.396 51.276 13.167 -99.200 -91.000 TRP6 49 1.020 13.749 49.763 13.975 -99.200 -91.000 PHE 56 1.000 12.592 49.535 20.092 -99.200 -91.000 TYR 63 0.840 9.667 61.673 13.950 -99.200 -91.000 TYR 66 0.840 5.570 53.617 4.010 -99.200 -91.000 HIS 68 0.900 6.270 47.953 2.757 -99.200 -91.000 HIS 84 0.900 -2.305 48.721 15.872 -99.200 -91.000 PHE 92 1.000 4.264 50.172 11.161 -99.200 -91.000 TYR 97 0.840 2.299 55.234 17.760 -99.200 -91.000 TRP 101 1.040 8.484 50.491 17.274 -99.200 -91.000 TRP6 101 1.020 8.702 49.565 15.096 -99.200 -91.000 HIS 106 0.900 16.772 40.690 12.195 -99.200 -91.000 TYR 111 0.840 14.741 55.545 7.970 -99.200 -91.000 PHE 112 1.000 9.570 59.704 2.371 -99.200 -91.000 HIS 115 0.900 12.305 65.384 11.189 -99.200 -91.000