============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TYR 5 0.840 98.796 39.432 48.754 -99.200 -91.000 PHE 10 1.000 111.975 52.145 56.978 -99.200 -91.000 TYR 19 0.840 115.201 49.424 54.554 -99.200 -91.000 PHE 20 1.000 108.086 47.874 48.937 -99.200 -91.000 PHE 21 1.000 109.787 46.801 57.409 -99.200 -91.000 TYR 26 0.840 114.506 43.483 56.163 -99.200 -91.000 TYR 31 0.840 111.255 53.605 45.600 -99.200 -91.000 TYR 42 0.840 119.564 41.295 53.613 -99.200 -91.000 PHE 51 1.000 115.851 46.016 59.614 -99.200 -91.000 PHE 59 1.000 108.603 46.629 67.221 -99.200 -91.000 TYR 62 0.840 104.266 37.690 67.758 -99.200 -91.000 PHE 68 1.000 105.838 57.834 61.169 -99.200 -91.000 PHE 76 1.000 108.409 57.466 66.116 -99.200 -91.000 PHE 78 1.000 103.674 53.052 64.370 -99.200 -91.000 TYR 79 0.840 102.967 42.586 66.427 -99.200 -91.000 PHE 82 1.000 103.184 46.987 73.487 -99.200 -91.000 TYR 88 0.840 116.444 53.498 57.672 -99.200 -91.000 HIS 91 0.900 125.544 53.943 58.135 -99.200 -91.000 PHE 108 1.000 103.560 58.402 67.603 -99.200 -91.000 PHE 110 1.000 99.137 62.904 68.399 -99.200 -91.000 PHE 111 1.000 97.801 58.668 66.444 -99.200 -91.000 PHE 116 1.000 94.971 56.733 63.411 -99.200 -91.000 TYR 124 0.840 101.349 60.027 52.681 -99.200 -91.000 TYR 133 0.840 99.161 63.799 55.273 -99.200 -91.000 PHE 135 1.000 96.370 57.116 54.934 -99.200 -91.000 TYR 140 0.840 93.136 61.797 56.262 -99.200 -91.000 TYR 145 0.840 109.148 63.628 62.731 -99.200 -91.000 TYR 162 0.840 94.669 60.954 51.257 -99.200 -91.000 PHE 165 1.000 93.871 56.569 47.632 -99.200 -91.000 PHE 170 1.000 94.805 51.628 47.107 -99.200 -91.000 PHE 178 1.000 107.616 53.362 49.030 -99.200 -91.000 HIS 181 0.900 114.322 57.691 47.806 -99.200 -91.000 TYR 187 0.840 105.459 54.282 44.616 -99.200 -91.000 PHE 188 1.000 98.231 56.155 49.844 -99.200 -91.000 PHE 189 1.000 103.070 49.135 48.521 -99.200 -91.000 HIS 193 0.900 94.344 44.961 42.764 -99.200 -91.000 TYR 194 0.840 101.226 49.854 41.657 -99.200 -91.000 TYR 217 0.840 105.521 51.075 39.647 -99.200 -91.000 TRP 218 1.040 108.291 48.369 42.311 -99.200 -91.000 TRP6 218 1.020 106.536 48.907 43.795 -99.200 -91.000