============================================================================= 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 3 1.000 32.632 -3.871 27.755 -99.200 -91.000 TYR 5 0.840 33.867 -9.241 27.590 -99.200 -91.000 TRP 12 1.040 31.720 -13.989 28.895 -99.200 -91.000 TRP6 12 1.020 30.706 -13.397 30.943 -99.200 -91.000 TYR 45 0.840 30.729 7.501 23.944 -99.200 -91.000 TYR 68 0.840 33.810 0.292 30.089 -99.200 -91.000 HIS 99 0.900 8.774 13.407 15.073 -99.200 -91.000 TYR 107 0.840 15.375 -0.069 19.165 -99.200 -91.000 PHE 116 1.000 19.040 4.405 31.324 -99.200 -91.000 PHE 118 1.000 19.065 6.847 21.699 -99.200 -91.000 PHE 122 1.000 8.140 14.723 24.263 -99.200 -91.000 PHE 134 1.000 11.777 25.137 30.388 -99.200 -91.000 PHE 149 1.000 15.720 25.162 24.727 -99.200 -91.000 HIS 152 0.900 12.072 18.068 35.958 -99.200 -91.000