============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 9 1.000 7.191 -5.546 15.443 -99.200 -91.000 HIS 10 0.900 2.641 -11.027 10.578 -99.200 -91.000 TYR 15 0.840 4.214 3.287 1.137 -99.200 -91.000 PHE 19 1.000 8.839 -3.086 9.728 -99.200 -91.000 PHE 28 1.000 22.313 1.018 16.154 -99.200 -91.000 TYR 32 0.840 5.809 9.168 18.930 -99.200 -91.000 PHE 33 1.000 4.780 1.236 20.076 -99.200 -91.000 PHE 35 1.000 -4.087 9.178 19.581 -99.200 -91.000 TRP 52 1.040 16.250 14.176 17.724 -99.200 -91.000 TRP6 52 1.020 15.084 12.640 19.094 -99.200 -91.000 TYR 60 0.840 26.954 13.630 14.295 -99.200 -91.000 PHE 68 1.000 2.676 7.567 14.096 -99.200 -91.000 TYR 84 0.840 -0.255 12.134 11.996 -99.200 -91.000 PHE 88 1.000 4.222 14.974 11.212 -99.200 -91.000 HIS 89 0.900 13.269 12.565 7.288 -99.200 -91.000 PHE 99 1.000 -9.662 -2.496 17.181 -99.200 -91.000 TYR 109 0.840 8.691 -2.349 20.884 -99.200 -91.000 HIS 115 0.900 0.777 6.560 30.011 -99.200 -91.000 PHE 118 1.000 9.474 7.086 27.923 -99.200 -91.000 PHE 119 1.000 10.790 10.183 19.254 -99.200 -91.000 TYR 120 0.840 9.403 2.720 23.275 -99.200 -91.000 PHE 128 1.000 14.735 -0.036 25.360 -99.200 -91.000 TYR 136 0.840 17.756 11.886 25.907 -99.200 -91.000 HIS 148 0.900 22.761 3.813 22.921 -99.200 -91.000 TYR 152 0.840 25.684 -3.197 16.638 -99.200 -91.000