============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 16 1.000 14.600 -6.123 2.838 -99.200 -91.000 HIS 35 0.900 31.633 12.534 4.325 -99.200 -91.000 TRP 39 1.040 26.719 -6.054 10.679 -99.200 -91.000 TRP6 39 1.020 27.953 -7.487 12.106 -99.200 -91.000 TYR 40 0.840 19.597 -2.805 10.376 -99.200 -91.000 TRP 48 1.040 17.016 3.480 17.929 -99.200 -91.000 TRP6 48 1.020 17.535 5.123 19.546 -99.200 -91.000 PHE 69 1.000 20.413 1.942 7.296 -99.200 -91.000 TYR 77 0.840 13.939 -6.639 -13.407 -99.200 -91.000 PHE 85 1.000 13.582 2.730 5.914 -99.200 -91.000 HIS 99 0.900 21.652 -2.615 28.664 -99.200 -91.000 TRP 106 1.040 24.711 -10.343 23.000 -99.200 -91.000 TRP6 106 1.020 27.028 -10.285 23.378 -99.200 -91.000 TYR 109 0.840 23.812 -7.388 13.125 -99.200 -91.000 TYR 113 0.840 21.973 -8.370 27.636 -99.200 -91.000 TRP 137 1.040 13.637 -2.489 -4.611 -99.200 -91.000 TRP6 137 1.020 14.578 -0.682 -3.388 -99.200 -91.000 HIS 139 0.900 12.387 -5.421 -9.288 -99.200 -91.000 HIS 146 0.900 14.031 -18.176 -9.208 -99.200 -91.000