============================================================================= 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. TYR 30 0.840 0.490 11.962 28.565 -99.200 -91.000 TYR 47 0.840 1.585 16.295 20.080 -99.200 -91.000 HIS 53 0.900 -2.837 23.622 14.299 -99.200 -91.000 TYR 61 0.840 -7.381 2.471 5.279 -99.200 -91.000 HIS 62 0.900 -10.345 0.243 3.586 -99.200 -91.000 TYR 64 0.840 -8.825 1.651 13.861 -99.200 -91.000 HIS 78 0.900 -4.986 -4.074 11.363 -99.200 -91.000 PHE 104 1.000 3.376 14.342 -0.427 -99.200 -91.000 HIS 105 0.900 -1.363 9.263 3.711 -99.200 -91.000 PHE 112 1.000 5.401 3.473 23.539 -99.200 -91.000 TYR 133 0.840 17.007 0.008 14.671 -99.200 -91.000 PHE 155 1.000 18.003 -10.694 13.696 -99.200 -91.000 PHE 161 1.000 11.458 -14.639 19.492 -99.200 -91.000 TYR 167 0.840 -2.876 -8.389 8.934 -99.200 -91.000 HIS 170 0.900 2.184 1.041 4.122 -99.200 -91.000 PHE 176 1.000 -2.677 4.530 6.264 -99.200 -91.000 HIS 177 0.900 -1.941 1.082 3.696 -99.200 -91.000 HIS 184 0.900 7.113 -6.854 6.998 -99.200 -91.000 TYR 185 0.840 6.092 -13.801 3.156 -99.200 -91.000 PHE 200 1.000 10.849 0.769 0.737 -99.200 -91.000 TRP 220 1.040 -12.304 -2.651 12.913 -99.200 -91.000 TRP6 220 1.020 -11.302 -1.925 10.918 -99.200 -91.000 TYR 233 0.840 10.227 -1.909 17.970 -99.200 -91.000 HIS 235 0.900 11.726 4.077 12.295 -99.200 -91.000 HIS 261 0.900 24.295 0.906 2.339 -99.200 -91.000