============================================================================= 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 27.073 21.671 5.608 -99.200 -91.000 PHE 24 1.000 21.602 19.606 7.919 -99.200 -91.000 TRP 32 1.040 16.927 18.712 12.241 -99.200 -91.000 TRP6 32 1.020 15.443 20.260 11.255 -99.200 -91.000 PHE 35 1.000 15.881 21.153 0.312 -99.200 -91.000 HIS 47 0.900 22.509 34.526 -5.106 -99.200 -91.000 PHE 55 1.000 12.339 26.293 0.306 -99.200 -91.000 TYR 60 0.840 12.661 23.182 3.797 -99.200 -91.000 TYR 69 0.840 34.022 34.507 8.234 -99.200 -91.000 TRP 70 1.040 33.538 34.335 13.635 -99.200 -91.000 TRP6 70 1.020 34.077 36.526 12.932 -99.200 -91.000 PHE 78 1.000 29.233 31.509 23.572 -99.200 -91.000 HIS 79 0.900 27.199 32.245 19.121 -99.200 -91.000 HIS 81 0.900 26.092 24.425 14.554 -99.200 -91.000 PHE 86 1.000 13.450 28.707 6.833 -99.200 -91.000 TYR 96 0.840 10.509 31.166 2.879 -99.200 -91.000 TYR 105 0.840 33.286 35.547 22.678 -99.200 -91.000 TYR 107 0.840 23.874 33.344 15.776 -99.200 -91.000