============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 26 1.000 29.491 -2.378 52.379 -99.200 -91.000 HIS 30 0.900 36.440 -4.817 43.293 -99.200 -91.000 TYR 32 0.840 39.869 -4.012 38.371 -99.200 -91.000 TYR 36 0.840 33.262 7.021 28.435 -99.200 -91.000 HIS 47 0.900 22.144 4.780 46.580 -99.200 -91.000 PHE 51 1.000 33.973 8.554 40.804 -99.200 -91.000 TYR 56 0.840 49.666 7.875 38.724 -99.200 -91.000 TRP 57 1.040 53.679 14.070 38.468 -99.200 -91.000 TRP6 57 1.020 55.556 15.404 39.009 -99.200 -91.000 PHE 58 1.000 52.226 17.010 44.850 -99.200 -91.000 PHE 67 1.000 34.944 6.922 33.738 -99.200 -91.000 TRP 71 1.040 32.089 11.089 33.651 -99.200 -91.000 TRP6 71 1.020 31.951 11.605 35.961 -99.200 -91.000 PHE 80 1.000 25.425 5.642 27.799 -99.200 -91.000 PHE 83 1.000 26.918 10.520 32.808 -99.200 -91.000 TYR 93 0.840 30.983 6.829 50.318 -99.200 -91.000 PHE 113 1.000 38.198 12.706 42.844 -99.200 -91.000 HIS 115 0.900 35.001 23.288 43.698 -99.200 -91.000 PHE 117 1.000 32.677 13.008 43.463 -99.200 -91.000 HIS 118 0.900 27.626 21.934 44.621 -99.200 -91.000 PHE 119 1.000 28.900 20.578 35.750 -99.200 -91.000 PHE 124 1.000 34.054 14.002 48.116 -99.200 -91.000 TYR 127 0.840 38.033 13.588 52.417 -99.200 -91.000 HIS 142 0.900 48.684 0.447 62.488 -99.200 -91.000