============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 4 0.840 50.734 62.471 17.387 -99.200 -91.000 HIS 5 0.900 52.655 62.773 11.006 -99.200 -91.000 TRP 22 1.040 50.151 44.001 14.143 -99.200 -91.000 TRP6 22 1.020 49.878 44.013 11.762 -99.200 -91.000 PHE 24 1.000 58.228 50.951 9.835 -99.200 -91.000 PHE 32 1.000 34.854 68.985 10.790 -99.200 -91.000 HIS 40 0.900 30.144 56.916 13.644 -99.200 -91.000 HIS 43 0.900 34.251 53.509 2.303 -99.200 -91.000 TYR 46 0.840 39.075 53.251 9.543 -99.200 -91.000 TRP 49 1.040 44.185 57.381 8.365 -99.200 -91.000 TRP6 49 1.020 42.701 56.719 10.044 -99.200 -91.000 TYR 50 0.840 44.897 50.136 6.916 -99.200 -91.000 PHE 53 1.000 53.094 50.978 8.002 -99.200 -91.000 PHE 57 1.000 56.772 47.774 5.703 -99.200 -91.000 HIS 62 0.900 66.968 48.021 3.451 -99.200 -91.000 TYR 66 0.840 59.440 56.023 -1.976 -99.200 -91.000 HIS 79 0.900 41.199 42.708 3.959 -99.200 -91.000 TYR 82 0.840 35.926 49.867 6.737 -99.200 -91.000 TYR 90 0.840 45.275 57.258 13.019 -99.200 -91.000 PHE 99 1.000 59.689 37.348 -0.005 -99.200 -91.000 PHE 104 1.000 55.735 44.663 -1.955 -99.200 -91.000 PHE 107 1.000 48.983 48.026 4.917 -99.200 -91.000 TRP 110 1.040 47.131 47.976 16.283 -99.200 -91.000 TRP6 110 1.020 46.136 46.187 17.470 -99.200 -91.000 TYR 137 0.840 63.191 47.730 -9.613 -99.200 -91.000 PHE 147 1.000 59.503 42.592 1.407 -99.200 -91.000