============================================================================= 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 20 1.000 24.465 3.824 4.417 -99.200 -91.000 TRP 32 1.040 24.785 0.197 -3.490 -99.200 -91.000 TRP6 32 1.020 23.099 -1.338 -4.116 -99.200 -91.000 HIS 43 0.900 12.284 15.374 -1.783 -99.200 -91.000 PHE 45 1.000 20.319 10.004 1.587 -99.200 -91.000 HIS 46 0.900 19.816 16.443 6.767 -99.200 -91.000 HIS 48 0.900 18.441 14.116 11.584 -99.200 -91.000 PHE 50 1.000 20.569 10.956 20.250 -99.200 -91.000 HIS 63 0.900 21.281 17.952 10.403 -99.200 -91.000 PHE 64 1.000 27.702 10.582 13.985 -99.200 -91.000 HIS 71 0.900 23.452 21.264 7.327 -99.200 -91.000 HIS 80 0.900 26.067 19.607 11.420 -99.200 -91.000 HIS 110 0.900 34.815 11.131 11.484 -99.200 -91.000 HIS 119 0.900 15.101 16.360 6.810 -99.200 -91.000