============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. HIS 5 0.900 40.443 19.634 25.856 -99.200 -91.000 HIS 6 0.900 35.749 21.220 32.620 -99.200 -91.000 TRP 11 1.040 21.898 3.829 31.932 -99.200 -91.000 TRP6 11 1.020 21.374 1.535 31.790 -99.200 -91.000 PHE 12 1.000 25.549 6.036 36.740 -99.200 -91.000 HIS 18 0.900 20.571 13.294 53.444 -99.200 -91.000 PHE 25 1.000 29.142 17.043 41.859 -99.200 -91.000 TYR 45 0.840 20.321 15.916 32.127 -99.200 -91.000 TYR 46 0.840 24.806 14.443 39.428 -99.200 -91.000 TRP 67 1.040 19.945 17.548 43.730 -99.200 -91.000 TRP6 67 1.020 19.942 19.371 42.218 -99.200 -91.000 TYR 68 0.840 16.672 10.112 40.853 -99.200 -91.000 PHE 69 1.000 25.644 11.610 34.822 -99.200 -91.000 TYR 70 0.840 18.075 11.200 33.897 -99.200 -91.000 TYR 71 0.840 26.463 8.364 31.126 -99.200 -91.000 TYR 82 0.840 28.634 20.508 29.733 -99.200 -91.000 TRP 91 1.040 24.157 21.598 31.990 -99.200 -91.000 TRP6 91 1.020 23.582 19.816 30.548 -99.200 -91.000 HIS 104 0.900 27.619 6.035 23.144 -99.200 -91.000 PHE 130 1.000 23.718 17.527 47.686 -99.200 -91.000 TYR 131 0.840 26.213 13.379 54.274 -99.200 -91.000