============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 15 1.000 8.776 31.940 95.236 -99.200 -91.000 PHE 29 1.000 -2.497 31.414 87.293 -99.200 -91.000 HIS 35 0.900 16.298 38.433 92.873 -99.200 -91.000 HIS 46 0.900 15.097 34.111 94.901 -99.200 -91.000 TRP 48 1.040 5.802 30.163 90.671 -99.200 -91.000 TRP6 48 1.020 4.435 28.848 89.224 -99.200 -91.000 TYR 72 0.840 21.592 25.619 91.716 -99.200 -91.000 PHE 97 1.000 0.395 26.698 84.849 -99.200 -91.000 TYR 108 0.840 -1.666 20.306 90.653 -99.200 -91.000 PHE 110 1.000 3.570 29.282 94.801 -99.200 -91.000 PHE 111 1.000 8.984 22.881 93.754 -99.200 -91.000 PHE 114 1.000 20.992 29.586 94.773 -99.200 -91.000 HIS 117 0.900 17.383 30.622 97.400 -99.200 -91.000 HIS 126 0.900 -6.530 24.962 96.071 -99.200 -91.000