============================================================================= 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. HIS 11 0.900 17.240 14.956 13.922 -99.200 -91.000 PHE 24 1.000 22.996 -6.688 18.376 -99.200 -91.000 TRP 43 1.040 32.312 -10.577 9.319 -99.200 -91.000 TRP6 43 1.020 32.909 -11.682 11.330 -99.200 -91.000 PHE 61 1.000 21.906 -1.236 1.140 -99.200 -91.000 TRP 69 1.040 29.227 -8.423 0.953 -99.200 -91.000 TRP6 69 1.020 28.637 -6.392 -0.119 -99.200 -91.000 TYR 80 0.840 2.689 4.300 1.610 -99.200 -91.000 HIS 96 0.900 17.309 -12.964 5.714 -99.200 -91.000 PHE 98 1.000 6.328 -6.411 7.006 -99.200 -91.000 TRP 103 1.040 12.890 3.289 13.752 -99.200 -91.000 TRP6 103 1.020 13.811 3.261 15.923 -99.200 -91.000 HIS 104 0.900 7.431 -1.376 19.754 -99.200 -91.000 PHE 119 1.000 26.845 -13.380 10.241 -99.200 -91.000