============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. PHE 5 1.000 8.505 21.201 -0.290 -99.200 -91.000 TYR 21 0.840 0.823 24.366 1.810 -99.200 -91.000 TYR 24 0.840 -1.292 30.230 -0.207 -99.200 -91.000 TYR 27 0.840 7.910 34.928 -4.770 -99.200 -91.000 TRP 30 1.040 5.042 27.226 -12.212 -99.200 -91.000 TRP6 30 1.020 5.487 28.267 -14.267 -99.200 -91.000 PHE 45 1.000 11.596 35.804 -1.677 -99.200 -91.000 HIS 47 0.900 11.117 24.736 -1.031 -99.200 -91.000 TYR 51 0.840 14.096 23.300 -3.718 -99.200 -91.000 TYR 64 0.840 14.566 15.219 0.880 -99.200 -91.000 TYR 66 0.840 11.369 13.069 5.673 -99.200 -91.000 PHE 96 1.000 4.686 25.322 2.697 -99.200 -91.000 TYR 103 0.840 -3.570 27.378 2.690 -99.200 -91.000 TYR 107 0.840 -3.520 35.543 -0.578 -99.200 -91.000 TYR 110 0.840 -2.547 36.379 -5.995 -99.200 -91.000 PHE 113 1.000 -3.826 40.344 -13.116 -99.200 -91.000