============================================================================= 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 27.748 20.715 25.876 -99.200 -91.000 PHE 24 1.000 22.502 22.972 23.425 -99.200 -91.000 TRP 32 1.040 17.942 24.246 18.905 -99.200 -91.000 TRP6 32 1.020 16.312 22.773 19.760 -99.200 -91.000 PHE 35 1.000 16.317 21.848 31.008 -99.200 -91.000 HIS 47 0.900 22.365 8.314 36.827 -99.200 -91.000 PHE 55 1.000 12.928 16.962 31.101 -99.200 -91.000 TYR 60 0.840 13.292 19.802 27.277 -99.200 -91.000 TYR 69 0.840 34.155 7.268 23.431 -99.200 -91.000 TRP 70 1.040 33.886 7.628 18.456 -99.200 -91.000 TRP6 70 1.020 34.283 5.407 19.157 -99.200 -91.000 PHE 78 1.000 30.730 10.864 8.152 -99.200 -91.000 HIS 79 0.900 28.071 9.961 12.600 -99.200 -91.000 HIS 81 0.900 27.138 17.572 17.692 -99.200 -91.000 PHE 86 1.000 13.989 14.361 24.508 -99.200 -91.000 TYR 96 0.840 10.712 12.119 28.754 -99.200 -91.000 HIS 105 0.900 33.114 6.538 8.979 -99.200 -91.000 TYR 107 0.840 24.033 9.161 16.191 -99.200 -91.000