============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. HIS 14 0.900 59.009 -5.078 76.532 -99.200 -91.000 TYR 22 0.840 47.970 -2.513 85.878 -99.200 -91.000 HIS 24 0.900 44.956 -11.638 81.763 -99.200 -91.000 HIS 34 0.900 55.952 -2.563 93.677 -99.200 -91.000 PHE 37 1.000 52.725 1.478 87.133 -99.200 -91.000 TRP 46 1.040 43.616 11.052 85.323 -99.200 -91.000 TRP6 46 1.020 45.503 10.150 86.404 -99.200 -91.000 HIS 65 0.900 46.853 2.509 95.959 -99.200 -91.000 TRP 68 1.040 43.990 1.931 101.239 -99.200 -91.000 TRP6 68 1.020 42.825 2.117 99.162 -99.200 -91.000 PHE 73 1.000 38.886 -1.571 96.091 -99.200 -91.000 TRP 76 1.040 39.479 -5.320 91.066 -99.200 -91.000 TRP6 76 1.020 37.390 -4.317 91.417 -99.200 -91.000 TRP 78 1.040 41.871 -5.570 86.715 -99.200 -91.000 TRP6 78 1.020 40.784 -3.522 87.186 -99.200 -91.000 PHE 84 1.000 39.718 -1.566 72.382 -99.200 -91.000 TRP 91 1.040 47.883 6.522 75.213 -99.200 -91.000 TRP6 91 1.020 48.137 8.861 75.078 -99.200 -91.000 PHE 92 1.000 49.916 -1.225 73.944 -99.200 -91.000 TRP 93 1.040 43.363 4.779 75.135 -99.200 -91.000 TRP6 93 1.020 42.530 6.107 76.915 -99.200 -91.000 PHE 104 1.000 36.956 2.092 99.900 -99.200 -91.000 TYR 107 0.840 31.954 4.895 103.541 -99.200 -91.000 TYR 112 0.840 33.805 -0.604 92.864 -99.200 -91.000 HIS 115 0.900 32.560 -0.818 80.625 -99.200 -91.000 PHE 116 1.000 36.849 -0.521 87.001 -99.200 -91.000 HIS 118 0.900 42.457 -0.090 84.040 -99.200 -91.000 PHE 120 1.000 47.398 -0.228 81.390 -99.200 -91.000 PHE 122 1.000 53.477 0.028 78.297 -99.200 -91.000 PHE 133 1.000 40.324 8.139 82.201 -99.200 -91.000 PHE 140 1.000 29.473 8.544 94.773 -99.200 -91.000