============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. HIS 12 0.900 9.108 -5.133 7.518 -99.200 -91.000 PHE 26 1.000 -0.323 1.987 14.160 -99.200 -91.000 TYR 39 0.840 -12.492 -5.585 25.938 -99.200 -91.000 PHE 40 1.000 -11.579 -5.930 17.096 -99.200 -91.000 HIS 51 0.900 6.588 -11.625 9.029 -99.200 -91.000 PHE 56 1.000 -4.403 -8.669 9.671 -99.200 -91.000 TYR 61 0.840 -16.638 -1.094 20.470 -99.200 -91.000 HIS 86 0.900 0.632 6.379 1.473 -99.200 -91.000 TYR 91 0.840 0.914 -0.055 -6.146 -99.200 -91.000 TRP 98 1.040 1.721 4.691 -5.394 -99.200 -91.000 TRP6 98 1.020 1.639 4.204 -3.086 -99.200 -91.000 HIS 100 0.900 -5.996 9.444 -10.238 -99.200 -91.000 PHE 113 1.000 -10.581 13.081 -7.339 -99.200 -91.000 PHE 114 1.000 -7.330 6.691 0.791 -99.200 -91.000 HIS 144 0.900 0.509 20.982 21.091 -99.200 -91.000 TYR 154 0.840 17.221 9.646 8.351 -99.200 -91.000 TYR 155 0.840 9.589 9.382 6.325 -99.200 -91.000 TYR 185 0.840 10.361 13.970 15.118 -99.200 -91.000 HIS 190 0.900 -7.564 15.723 12.808 -99.200 -91.000 HIS 204 0.900 -14.894 3.578 31.873 -99.200 -91.000 TYR 217 0.840 -9.827 12.598 30.641 -99.200 -91.000 PHE 228 1.000 11.904 1.001 29.528 -99.200 -91.000 TYR 229 0.840 16.489 -0.234 30.438 -99.200 -91.000 PHE 239 1.000 25.170 1.051 28.299 -99.200 -91.000 HIS 242 0.900 30.738 6.507 29.220 -99.200 -91.000 PHE 257 1.000 6.235 22.327 26.518 -99.200 -91.000 TYR 278 0.840 7.062 14.853 10.503 -99.200 -91.000 TYR 285 0.840 -3.296 7.684 5.796 -99.200 -91.000 PHE 304 1.000 2.510 2.687 40.186 -99.200 -91.000