============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. HIS 2 0.900 31.025 63.759 20.932 -99.200 -91.000 TYR 21 0.840 38.212 57.478 21.152 -99.200 -91.000 PHE 28 1.000 36.425 52.332 19.322 -99.200 -91.000 HIS 40 0.900 31.316 29.771 18.760 -99.200 -91.000 TYR 48 0.840 24.874 34.225 3.621 -99.200 -91.000 PHE 55 1.000 29.377 45.759 3.755 -99.200 -91.000 PHE 70 1.000 32.932 55.795 22.648 -99.200 -91.000 TYR 79 0.840 34.586 39.083 25.735 -99.200 -91.000 TYR 85 0.840 25.206 53.608 17.220 -99.200 -91.000 TYR 87 0.840 28.431 57.375 11.863 -99.200 -91.000 TYR 107 0.840 16.599 41.477 19.817 -99.200 -91.000 TYR 109 0.840 16.974 44.813 25.521 -99.200 -91.000 HIS 115 0.900 22.365 56.327 15.232 -99.200 -91.000 TRP 134 1.040 17.784 39.260 6.773 -99.200 -91.000 TRP6 134 1.020 16.769 38.519 8.780 -99.200 -91.000