============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 3 0.840 96.087 69.531 81.473 -99.200 -91.000 PHE 9 1.000 98.828 81.029 72.722 -99.200 -91.000 PHE 19 1.000 94.885 72.281 66.622 -99.200 -91.000 HIS 25 0.900 90.141 54.169 77.297 -99.200 -91.000 TYR 43 0.840 101.475 62.977 72.825 -99.200 -91.000 TRP 45 1.040 93.831 68.340 77.815 -99.200 -91.000 TRP6 45 1.020 94.792 70.127 76.639 -99.200 -91.000 PHE 46 1.000 98.453 67.924 70.601 -99.200 -91.000 TYR 50 0.840 93.607 71.146 70.992 -99.200 -91.000 PHE 56 1.000 100.404 82.026 66.246 -99.200 -91.000 TYR 63 0.840 93.455 58.849 65.500 -99.200 -91.000 PHE 65 1.000 91.904 63.683 60.029 -99.200 -91.000 HIS 67 0.900 98.663 59.484 58.964 -99.200 -91.000 TYR 77 0.840 113.766 60.784 64.883 -99.200 -91.000 HIS 80 0.900 115.096 55.111 58.346 -99.200 -91.000 TYR 81 0.840 116.979 59.221 61.507 -99.200 -91.000 TYR 95 0.840 120.305 68.644 59.863 -99.200 -91.000 PHE 96 1.000 115.925 69.436 67.199 -99.200 -91.000 TYR 98 0.840 112.379 70.071 70.796 -99.200 -91.000 TRP 114 1.040 117.535 60.141 69.262 -99.200 -91.000 TRP6 114 1.020 118.290 58.718 70.960 -99.200 -91.000 TYR 120 0.840 117.775 61.201 77.014 -99.200 -91.000 PHE 128 1.000 102.408 67.820 74.396 -99.200 -91.000 PHE 131 1.000 108.195 70.781 73.208 -99.200 -91.000 PHE 132 1.000 100.868 72.487 71.964 -99.200 -91.000 TYR 133 0.840 100.811 78.563 78.223 -99.200 -91.000 TRP 143 1.040 106.332 82.908 63.163 -99.200 -91.000 TRP6 143 1.020 107.304 83.726 61.179 -99.200 -91.000 TRP 149 1.040 95.042 98.449 69.729 -99.200 -91.000 TRP6 149 1.020 95.289 96.968 67.913 -99.200 -91.000