============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. HIS 1 0.900 2.144 3.419 5.979 -99.200 -91.000 TYR 21 0.840 6.816 1.988 16.852 -99.200 -91.000 PHE 35 1.000 15.020 0.027 14.709 -99.200 -91.000 PHE 41 1.000 15.557 -0.411 23.869 -99.200 -91.000 PHE 47 1.000 8.914 0.131 39.043 -99.200 -91.000 HIS 71 0.900 -0.392 5.730 59.169 -99.200 -91.000 TYR 72 0.840 4.497 8.351 53.186 -99.200 -91.000 TYR 80 0.840 8.907 13.177 40.073 -99.200 -91.000 HIS 87 0.900 -0.992 13.670 50.978 -99.200 -91.000 PHE 126 1.000 1.368 -9.776 38.524 -99.200 -91.000 HIS 128 0.900 8.759 -17.430 34.804 -99.200 -91.000 HIS 133 0.900 8.281 -17.629 30.856 -99.200 -91.000 TRP 140 1.040 14.037 -2.310 46.671 -99.200 -91.000 TRP6 140 1.020 11.977 -2.393 47.800 -99.200 -91.000 TRP 185 1.040 -5.059 4.529 39.842 -99.200 -91.000 TRP6 185 1.020 -4.738 2.349 40.715 -99.200 -91.000 TRP 204 1.040 -8.027 9.698 17.843 -99.200 -91.000 TRP6 204 1.020 -6.510 8.107 16.981 -99.200 -91.000 PHE 205 1.000 -8.534 5.408 27.085 -99.200 -91.000 TYR 237 0.840 10.655 0.820 27.275 -99.200 -91.000 HIS 262 0.900 1.727 7.267 7.484 -99.200 -91.000 TRP 263 1.040 -5.484 4.168 14.361 -99.200 -91.000 TRP6 263 1.020 -4.248 3.975 16.352 -99.200 -91.000