============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. HIS 22 0.900 13.890 21.275 59.560 -99.200 -91.000 PHE 24 1.000 18.853 19.748 56.101 -99.200 -91.000 TRP 32 1.040 23.000 18.182 51.669 -99.200 -91.000 TRP6 32 1.020 24.731 19.567 52.493 -99.200 -91.000 PHE 35 1.000 23.728 20.396 62.698 -99.200 -91.000 HIS 47 0.900 19.995 34.532 69.343 -99.200 -91.000 PHE 55 1.000 28.912 25.201 63.787 -99.200 -91.000 TYR 60 0.840 28.179 22.131 60.332 -99.200 -91.000 TYR 69 0.840 8.203 36.231 56.236 -99.200 -91.000 TRP 70 1.040 8.793 35.811 50.608 -99.200 -91.000 TRP6 70 1.020 8.616 38.078 51.295 -99.200 -91.000 PHE 78 1.000 12.807 32.496 40.917 -99.200 -91.000 HIS 79 0.900 14.870 32.859 45.127 -99.200 -91.000 HIS 81 0.900 14.765 25.114 49.540 -99.200 -91.000 PHE 86 1.000 27.929 27.542 57.539 -99.200 -91.000 TYR 96 0.840 31.000 30.065 61.196 -99.200 -91.000 TYR 105 0.840 9.275 36.459 41.466 -99.200 -91.000 TYR 107 0.840 17.864 33.549 48.376 -99.200 -91.000