============================================================================= 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 26 0.840 45.908 11.393 46.200 -99.200 -91.000 PHE 54 1.000 33.896 27.621 50.223 -99.200 -91.000 HIS 90 0.900 33.987 18.948 46.130 -99.200 -91.000 TYR 100 0.840 20.657 16.595 43.149 -99.200 -91.000 PHE 101 1.000 23.351 22.774 49.294 -99.200 -91.000 HIS 103 0.900 21.332 20.267 38.619 -99.200 -91.000 PHE 114 1.000 30.745 21.784 42.188 -99.200 -91.000 TYR 162 0.840 20.011 12.643 34.867 -99.200 -91.000 PHE 174 1.000 33.586 11.753 39.357 -99.200 -91.000 TYR 181 0.840 29.966 10.731 30.398 -99.200 -91.000 TYR 191 0.840 32.463 17.525 19.014 -99.200 -91.000 TYR 192 0.840 27.321 21.743 26.056 -99.200 -91.000 HIS 200 0.900 18.767 23.062 35.329 -99.200 -91.000 PHE 206 1.000 14.296 22.189 46.570 -99.200 -91.000 TYR 221 0.840 25.004 -0.733 51.660 -99.200 -91.000 TYR 223 0.840 23.728 -4.622 56.317 -99.200 -91.000 TYR 229 0.840 22.783 -1.980 65.756 -99.200 -91.000 TYR 231 0.840 16.246 1.590 59.663 -99.200 -91.000 HIS 237 0.900 22.879 9.740 68.412 -99.200 -91.000 TYR 244 0.840 16.542 0.456 52.913 -99.200 -91.000 HIS 299 0.900 23.581 12.410 42.718 -99.200 -91.000 TYR 320 0.840 9.809 19.995 46.856 -99.200 -91.000 PHE 321 1.000 13.903 12.877 47.045 -99.200 -91.000 HIS 322 0.900 8.294 10.471 41.599 -99.200 -91.000 TYR 324 0.840 13.140 20.704 42.119 -99.200 -91.000