============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 5 0.840 34.932 -81.886 43.417 -99.200 -91.000 PHE 12 1.000 33.759 -81.752 18.632 -99.200 -91.000 TYR 19 0.840 36.738 -76.025 25.241 -99.200 -91.000 TYR 23 0.840 42.803 -75.031 26.191 -99.200 -91.000 HIS 30 0.900 55.180 -73.458 25.722 -99.200 -91.000 TYR 66 0.840 62.916 -92.664 23.758 -99.200 -91.000 HIS 93 0.900 50.038-103.458 15.932 -99.200 -91.000 TYR 97 0.840 52.018-106.824 10.177 -99.200 -91.000 TYR 101 0.840 49.469-110.415 9.334 -99.200 -91.000 TYR 121 0.840 44.306 -92.449 26.181 -99.200 -91.000 HIS 124 0.900 36.890 -93.978 23.343 -99.200 -91.000 PHE 130 1.000 48.744 -91.170 25.790 -99.200 -91.000 PHE 134 1.000 55.409 -90.534 19.469 -99.200 -91.000 TYR 136 0.840 55.154 -92.310 14.292 -99.200 -91.000 TYR 139 0.840 63.507-100.277 3.031 -99.200 -91.000 TYR 143 0.840 53.041 -97.065 -0.143 -99.200 -91.000 TYR 145 0.840 65.324 -95.180 2.904 -99.200 -91.000 TYR 148 0.840 53.809 -92.338 7.281 -99.200 -91.000 TYR 156 0.840 48.120 -91.802 9.651 -99.200 -91.000 TRP 159 1.040 54.395 -84.040 7.267 -99.200 -91.000 TRP6 159 1.020 53.621 -81.893 6.690 -99.200 -91.000 TYR 179 0.840 63.409 -82.077 0.563 -99.200 -91.000 TYR 206 0.840 79.761 -82.312 23.173 -99.200 -91.000 PHE 211 1.000 71.905 -85.525 13.111 -99.200 -91.000 TYR 224 0.840 74.038 -99.812 11.726 -99.200 -91.000 PHE 228 1.000 75.114 -89.997 13.341 -99.200 -91.000