============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. HIS 5 0.900 18.900 25.906 -9.498 -99.200 -91.000 PHE 9 1.000 30.865 29.018 -3.763 -99.200 -91.000 PHE 11 1.000 33.188 24.375 -12.826 -99.200 -91.000 HIS 15 0.900 37.093 17.721 -16.397 -99.200 -91.000 TYR 36 0.840 25.150 14.313 -4.375 -99.200 -91.000 TRP 37 1.040 29.414 16.211 -11.604 -99.200 -91.000 TRP6 37 1.020 31.030 17.606 -12.620 -99.200 -91.000 TYR 38 0.840 22.465 21.707 -9.266 -99.200 -91.000 TYR 41 0.840 20.681 29.044 -22.248 -99.200 -91.000 PHE 50 1.000 26.165 24.516 -12.339 -99.200 -91.000 TYR 53 0.840 26.537 20.657 -2.466 -99.200 -91.000 TYR 54 0.840 31.882 25.699 -7.872 -99.200 -91.000