============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 6 1.000 43.725 69.941 24.944 -99.200 -91.000 PHE 8 1.000 41.908 71.833 18.604 -99.200 -91.000 PHE 17 1.000 39.433 89.600 22.922 -99.200 -91.000 TYR 23 0.840 44.824 80.369 31.034 -99.200 -91.000 HIS 29 0.900 46.725 73.674 33.587 -99.200 -91.000 TYR 33 0.840 47.815 71.843 19.627 -99.200 -91.000 TYR 44 0.840 46.249 69.394 16.312 -99.200 -91.000 TYR 50 0.840 39.413 58.045 20.517 -99.200 -91.000 PHE 63 1.000 37.596 80.066 21.333 -99.200 -91.000 PHE 76 1.000 32.136 74.402 16.122 -99.200 -91.000 PHE 83 1.000 33.239 66.189 19.075 -99.200 -91.000 PHE 84 1.000 31.936 55.745 16.060 -99.200 -91.000 PHE 87 1.000 34.243 56.404 22.706 -99.200 -91.000 PHE 167 1.000 23.437 80.676 11.323 -99.200 -91.000 HIS 190 0.900 10.105 98.720 11.506 -99.200 -91.000 PHE 191 1.000 14.114 96.675 15.364 -99.200 -91.000 PHE 193 1.000 21.612 95.076 14.559 -99.200 -91.000 TRP 208 1.040 21.771 107.892 12.878 -99.200 -91.000 TRP6 208 1.020 20.981 107.851 15.115 -99.200 -91.000 TYR 220 0.840 27.851 94.441 15.613 -99.200 -91.000 TYR 240 0.840 22.305 109.596 20.713 -99.200 -91.000 PHE 246 1.000 21.541 98.963 22.654 -99.200 -91.000 HIS 259 0.900 35.563 84.844 23.959 -99.200 -91.000 PHE 267 1.000 36.429 73.684 30.468 -99.200 -91.000 PHE 274 1.000 27.785 76.723 24.745 -99.200 -91.000 TYR 280 0.840 20.106 85.936 19.897 -99.200 -91.000