============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 18 0.900 -2.404 19.181 -10.735 -99.200 -91.000 HIS 50 0.900 -1.331 40.522 3.699 -99.200 -91.000 TYR 53 0.840 0.704 30.658 7.008 -99.200 -91.000 PHE 63 1.000 -7.645 31.437 6.993 -99.200 -91.000 PHE 71 1.000 -2.369 25.480 8.426 -99.200 -91.000 HIS 76 0.900 10.908 31.202 10.499 -99.200 -91.000 TYR 77 0.840 15.489 26.783 6.860 -99.200 -91.000 HIS 86 0.900 1.958 25.080 10.768 -99.200 -91.000 HIS 100 0.900 -16.434 20.784 4.267 -99.200 -91.000 TYR 103 0.840 -1.030 20.836 8.721 -99.200 -91.000 TYR 106 0.840 7.715 13.604 7.593 -99.200 -91.000 PHE 108 1.000 3.675 5.749 6.772 -99.200 -91.000 HIS 118 0.900 8.652 15.720 17.952 -99.200 -91.000 HIS 120 0.900 4.276 19.024 9.107 -99.200 -91.000 TYR 125 0.840 -2.980 14.862 18.548 -99.200 -91.000 TYR 134 0.840 -9.816 14.813 10.797 -99.200 -91.000 PHE 136 1.000 -5.636 16.113 10.455 -99.200 -91.000 TYR 142 0.840 7.331 18.870 -1.206 -99.200 -91.000 PHE 145 1.000 15.789 18.177 0.621 -99.200 -91.000 PHE 146 1.000 15.345 13.258 -0.959 -99.200 -91.000 HIS 190 0.900 -11.294 12.015 -0.837 -99.200 -91.000 TYR 195 0.840 -7.122 10.115 2.323 -99.200 -91.000 TRP 203 1.040 13.241 7.073 -4.652 -99.200 -91.000 TRP6 203 1.020 15.105 8.443 -4.123 -99.200 -91.000 PHE 205 1.000 19.542 9.390 -1.757 -99.200 -91.000 HIS 222 0.900 24.529 6.810 -1.888 -99.200 -91.000 PHE 227 1.000 24.762 15.408 10.925 -99.200 -91.000 PHE 233 1.000 29.571 17.071 -1.727 -99.200 -91.000 PHE 243 1.000 18.559 23.675 2.148 -99.200 -91.000 TYR 251 0.840 20.832 13.624 1.651 -99.200 -91.000