============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 3 0.840 12.292 12.099 37.867 -99.200 -91.000 PHE 5 1.000 16.599 9.642 39.296 -99.200 -91.000 HIS 14 0.900 18.237 14.223 55.385 -99.200 -91.000 PHE 18 1.000 7.629 7.829 51.330 -99.200 -91.000 PHE 37 1.000 8.656 13.002 47.934 -99.200 -91.000 HIS 47 0.900 10.360 4.040 49.119 -99.200 -91.000 TRP 51 1.040 10.150 5.326 41.310 -99.200 -91.000 TRP6 51 1.020 11.313 6.738 39.814 -99.200 -91.000 TYR 53 0.840 3.237 10.946 48.770 -99.200 -91.000 PHE 92 1.000 -0.570 10.597 30.096 -99.200 -91.000 TRP 108 1.040 -8.948 5.697 39.339 -99.200 -91.000 TRP6 108 1.020 -11.258 5.693 39.841 -99.200 -91.000 TYR 111 0.840 -5.137 -2.194 37.061 -99.200 -91.000 TYR 115 0.840 -16.694 2.953 40.327 -99.200 -91.000 HIS 117 0.900 -19.897 -3.529 37.178 -99.200 -91.000 PHE 131 1.000 -14.728 12.781 24.467 -99.200 -91.000 PHE 138 1.000 -14.355 7.709 34.219 -99.200 -91.000 PHE 161 1.000 -19.488 15.748 30.704 -99.200 -91.000 TYR 167 0.840 -14.791 24.702 28.106 -99.200 -91.000 PHE 174 1.000 -13.023 19.704 36.958 -99.200 -91.000 TYR 185 0.840 -3.509 21.374 46.982 -99.200 -91.000 TRP 188 1.040 -11.774 24.080 46.268 -99.200 -91.000 TRP6 188 1.020 -13.847 25.177 46.099 -99.200 -91.000 TYR 208 0.840 -8.644 30.402 38.933 -99.200 -91.000 TYR 218 0.840 -2.108 24.155 42.791 -99.200 -91.000 TYR 223 0.840 -0.235 33.115 34.462 -99.200 -91.000 HIS 235 0.900 -7.360 46.246 32.861 -99.200 -91.000 HIS 241 0.900 -4.769 38.713 42.568 -99.200 -91.000 PHE 242 1.000 -1.075 38.382 35.942 -99.200 -91.000 TRP 267 1.040 9.267 37.855 34.724 -99.200 -91.000 TRP6 267 1.020 9.328 39.937 35.828 -99.200 -91.000 TYR 283 0.840 3.735 50.598 30.413 -99.200 -91.000 PHE 298 1.000 2.037 48.244 39.927 -99.200 -91.000