============================================================================= 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 16 1.000 8.328 23.105 79.924 -99.200 -91.000 PHE 19 1.000 12.227 15.945 85.056 -99.200 -91.000 HIS 37 0.900 19.384 32.013 86.760 -99.200 -91.000 TYR 38 0.840 18.761 25.273 86.360 -99.200 -91.000 TYR 49 0.840 14.399 23.554 88.888 -99.200 -91.000 PHE 51 1.000 19.757 21.027 92.158 -99.200 -91.000 PHE 55 1.000 24.748 9.648 95.116 -99.200 -91.000 HIS 64 0.900 43.026 10.065 89.119 -99.200 -91.000 TYR 66 0.840 34.386 16.394 94.195 -99.200 -91.000 PHE 78 1.000 20.515 15.570 95.389 -99.200 -91.000 PHE 85 1.000 16.316 26.986 96.668 -99.200 -91.000 HIS 94 0.900 28.033 4.690 90.343 -99.200 -91.000 HIS 97 0.900 24.397 -1.775 100.277 -99.200 -91.000 PHE 114 1.000 27.344 4.211 82.726 -99.200 -91.000 PHE 139 1.000 23.513 0.656 73.900 -99.200 -91.000 PHE 152 1.000 13.312 0.214 86.252 -99.200 -91.000 HIS 153 0.900 5.507 -2.109 83.994 -99.200 -91.000 PHE 169 1.000 22.751 10.445 60.873 -99.200 -91.000 TYR 171 0.840 32.677 5.437 62.543 -99.200 -91.000 PHE 181 1.000 10.810 12.816 71.607 -99.200 -91.000 PHE 195 1.000 14.706 16.273 72.987 -99.200 -91.000 HIS 199 0.900 23.466 14.878 79.487 -99.200 -91.000 PHE 224 1.000 17.699 15.000 82.404 -99.200 -91.000 PHE 232 1.000 16.133 26.559 75.684 -99.200 -91.000