============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. HIS 12 0.900 38.758 36.626 51.925 -99.200 -91.000 TRP 14 1.040 37.945 27.139 55.971 -99.200 -91.000 TRP6 14 1.020 36.484 25.469 56.796 -99.200 -91.000 HIS 18 0.900 35.722 28.281 61.654 -99.200 -91.000 TYR 23 0.840 29.437 37.395 67.044 -99.200 -91.000 TYR 24 0.840 23.102 28.199 65.880 -99.200 -91.000 PHE 39 1.000 24.818 29.658 55.614 -99.200 -91.000 HIS 41 0.900 23.606 18.931 55.084 -99.200 -91.000 PHE 43 1.000 30.285 27.454 51.895 -99.200 -91.000 PHE 46 1.000 23.680 26.373 45.361 -99.200 -91.000 TYR 47 0.840 34.232 26.726 48.894 -99.200 -91.000 HIS 64 0.900 23.794 14.104 58.051 -99.200 -91.000 PHE 73 1.000 27.212 25.702 63.238 -99.200 -91.000 TRP 76 1.040 29.695 19.256 63.079 -99.200 -91.000 TRP6 76 1.020 29.542 20.483 61.061 -99.200 -91.000 HIS 79 0.900 36.696 16.708 64.148 -99.200 -91.000 HIS 81 0.900 39.368 25.850 58.995 -99.200 -91.000 PHE 93 1.000 41.922 27.787 65.893 -99.200 -91.000 TRP 102 1.040 37.199 31.847 63.922 -99.200 -91.000 TRP6 102 1.020 37.775 33.155 62.021 -99.200 -91.000 TRP 106 1.040 44.310 35.845 69.281 -99.200 -91.000 TRP6 106 1.020 43.871 33.522 69.078 -99.200 -91.000