============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 4 1.000 96.475 30.008 32.893 -99.200 -91.000 PHE 19 1.000 87.245 17.484 17.875 -99.200 -91.000 TYR 28 0.840 82.156 10.041 16.207 -99.200 -91.000 PHE 62 1.000 85.394 14.031 21.553 -99.200 -91.000 TRP 82 1.040 69.708 25.815 28.052 -99.200 -91.000 TRP6 82 1.020 71.471 26.213 29.560 -99.200 -91.000 PHE 110 1.000 73.415 35.470 34.325 -99.200 -91.000 HIS 113 0.900 69.994 29.624 29.522 -99.200 -91.000 TYR 120 0.840 71.771 18.813 34.739 -99.200 -91.000 PHE 128 1.000 76.999 39.903 23.551 -99.200 -91.000 TYR 148 0.840 80.706 37.655 43.033 -99.200 -91.000 PHE 157 1.000 76.486 28.941 39.623 -99.200 -91.000 HIS 160 0.900 85.472 29.568 46.381 -99.200 -91.000 PHE 164 1.000 82.236 36.918 36.687 -99.200 -91.000 HIS 178 0.900 88.663 46.244 16.520 -99.200 -91.000 TYR 181 0.840 88.732 45.745 21.310 -99.200 -91.000 PHE 185 1.000 90.967 38.623 29.458 -99.200 -91.000 TRP 191 1.040 87.074 46.490 39.650 -99.200 -91.000 TRP6 191 1.020 85.079 45.274 39.929 -99.200 -91.000 HIS 200 0.900 88.125 29.751 39.798 -99.200 -91.000 PHE 210 1.000 90.466 34.436 15.998 -99.200 -91.000 PHE 212 1.000 100.050 39.729 13.796 -99.200 -91.000 TYR 217 0.840 108.425 33.041 17.611 -99.200 -91.000 HIS 222 0.900 98.280 32.399 21.171 -99.200 -91.000 PHE 225 1.000 95.684 37.922 27.071 -99.200 -91.000 TYR 227 0.840 105.822 38.039 32.399 -99.200 -91.000 HIS 228 0.900 103.119 41.846 30.507 -99.200 -91.000 TYR 244 0.840 107.616 37.548 29.020 -99.200 -91.000