============================================================================= 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 6 0.840 5.421 52.469 39.588 -99.200 -91.000 HIS 17 0.900 4.810 60.149 25.990 -99.200 -91.000 TYR 21 0.840 11.332 64.101 19.030 -99.200 -91.000 HIS 39 0.900 -8.345 48.226 26.590 -99.200 -91.000 PHE 50 1.000 4.273 32.817 13.649 -99.200 -91.000 PHE 58 1.000 -4.883 40.838 14.927 -99.200 -91.000 HIS 64 0.900 2.922 38.040 30.202 -99.200 -91.000 HIS 67 0.900 -0.144 44.791 32.886 -99.200 -91.000 TYR 91 0.840 3.185 45.420 12.863 -99.200 -91.000 TYR 104 0.840 12.789 27.403 24.594 -99.200 -91.000 TRP 106 1.040 4.151 26.407 19.301 -99.200 -91.000 TRP6 106 1.020 2.644 26.296 21.087 -99.200 -91.000 TRP 113 1.040 4.991 37.474 10.998 -99.200 -91.000 TRP6 113 1.020 4.752 39.579 12.044 -99.200 -91.000 TYR 167 0.840 19.653 30.327 28.297 -99.200 -91.000 TYR 171 0.840 20.706 32.747 23.854 -99.200 -91.000 PHE 189 1.000 9.071 40.756 41.053 -99.200 -91.000 TYR 214 0.840 -7.964 50.855 31.099 -99.200 -91.000 HIS 226 0.900 7.685 50.398 32.296 -99.200 -91.000 HIS 238 0.900 18.443 60.964 18.006 -99.200 -91.000 TRP 241 1.040 21.013 57.832 16.671 -99.200 -91.000 TRP6 241 1.020 20.820 58.010 19.008 -99.200 -91.000 PHE 261 1.000 25.267 38.146 40.315 -99.200 -91.000 TYR 262 0.840 22.589 41.023 43.717 -99.200 -91.000 TYR 263 0.840 19.873 47.566 42.269 -99.200 -91.000