============================================================================= 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. PHE 4 1.000 2.869 9.396 15.167 -99.200 -91.000 TRP 8 1.040 6.492 4.191 19.866 -99.200 -91.000 TRP6 8 1.020 4.813 5.150 21.236 -99.200 -91.000 PHE 16 1.000 1.272 -8.126 9.838 -99.200 -91.000 PHE 27 1.000 1.937 -22.584 5.518 -99.200 -91.000 TYR 50 0.840 11.013 13.316 11.449 -99.200 -91.000 PHE 58 1.000 11.002 -12.161 8.440 -99.200 -91.000 PHE 64 1.000 10.011 8.423 7.460 -99.200 -91.000 PHE 70 1.000 9.976 6.298 2.167 -99.200 -91.000 HIS 93 0.900 4.918 3.662 5.936 -99.200 -91.000 TYR 103 0.840 -4.343 3.449 0.824 -99.200 -91.000 TYR 128 0.840 3.786 -1.460 17.364 -99.200 -91.000