============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 13 1.000 -2.168 1.231 36.350 -99.200 -91.000 HIS 17 0.900 5.114 8.446 37.401 -99.200 -91.000 PHE 20 1.000 -0.494 3.154 24.658 -99.200 -91.000 HIS 25 0.900 9.200 1.358 12.789 -99.200 -91.000 PHE 31 1.000 14.893 -8.882 5.360 -99.200 -91.000 PHE 32 1.000 17.455 -1.572 7.889 -99.200 -91.000 PHE 107 1.000 3.068 0.043 4.354 -99.200 -91.000 HIS 118 0.900 13.763 6.713 40.819 -99.200 -91.000 HIS 140 0.900 18.025 3.257 10.115 -99.200 -91.000 HIS 147 0.900 21.181 -1.357 -0.407 -99.200 -91.000 PHE 153 1.000 31.152 5.042 1.698 -99.200 -91.000 TRP 165 1.040 16.110 -1.423 29.571 -99.200 -91.000 TRP6 165 1.020 15.598 0.552 30.809 -99.200 -91.000 TRP 177 1.040 16.828 5.162 36.939 -99.200 -91.000 TRP6 177 1.020 16.673 5.179 34.584 -99.200 -91.000 HIS 181 0.900 20.046 16.769 35.884 -99.200 -91.000 TYR 231 0.840 26.145 17.487 12.531 -99.200 -91.000 TYR 247 0.840 27.074 12.293 40.010 -99.200 -91.000 TYR 274 0.840 22.344 33.329 21.999 -99.200 -91.000 PHE 289 1.000 21.079 30.805 16.871 -99.200 -91.000