============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 11 rings ring int. center anis. iso. PHE 16 1.000 -5.707 -3.025 19.967 -99.200 -91.000 PHE 31 1.000 -9.505 1.856 19.179 -99.200 -91.000 PHE 53 1.000 -8.602 -3.788 23.897 -99.200 -91.000 TRP 71 1.040 -15.537 -2.804 22.545 -99.200 -91.000 TRP6 71 1.020 -13.881 -3.107 24.206 -99.200 -91.000 TRP 77 1.040 -12.185 14.443 25.900 -99.200 -91.000 TRP6 77 1.020 -11.409 16.633 26.380 -99.200 -91.000 TRP 104 1.040 -15.811 8.726 34.092 -99.200 -91.000 TRP6 104 1.020 -15.576 6.412 34.505 -99.200 -91.000 HIS 105 0.900 -9.862 12.007 38.378 -99.200 -91.000 HIS 110 0.900 2.224 4.630 23.991 -99.200 -91.000