============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 10 1.000 3.321 17.140 -19.759 -99.200 -91.000 TRP 11 1.040 7.632 21.522 -15.140 -99.200 -91.000 TRP6 11 1.020 6.522 20.206 -13.520 -99.200 -91.000 TRP 13 1.040 -1.078 22.511 -21.229 -99.200 -91.000 TRP6 13 1.020 -1.485 20.365 -20.318 -99.200 -91.000 HIS 33 0.900 -9.002 12.968 -10.099 -99.200 -91.000 PHE 38 1.000 3.577 12.213 -3.270 -99.200 -91.000 PHE 40 1.000 -3.120 9.007 -10.969 -99.200 -91.000 PHE 47 1.000 2.421 12.410 -20.910 -99.200 -91.000 PHE 48 1.000 -3.953 10.035 -25.992 -99.200 -91.000 PHE 50 1.000 1.936 19.482 -24.650 -99.200 -91.000 HIS 54 0.900 0.571 23.502 -25.862 -99.200 -91.000 PHE 64 1.000 6.382 14.624 -16.663 -99.200 -91.000 HIS 69 0.900 9.088 10.839 -13.418 -99.200 -91.000 PHE 77 1.000 4.399 4.779 -15.803 -99.200 -91.000 TRP 78 1.040 2.497 4.984 -6.566 -99.200 -91.000 TRP6 78 1.020 4.500 6.076 -7.215 -99.200 -91.000 TYR 83 0.840 -14.011 3.850 -6.097 -99.200 -91.000 TYR 92 0.840 -13.904 -0.491 -9.932 -99.200 -91.000 TYR 98 0.840 4.640 9.723 -15.506 -99.200 -91.000 TYR 105 0.840 -1.579 22.901 -7.108 -99.200 -91.000 PHE 109 1.000 -1.444 22.543 -1.260 -99.200 -91.000 PHE 115 1.000 -15.732 12.821 -7.667 -99.200 -91.000