============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 5 1.000 21.434 29.932 8.718 -99.200 -91.000 PHE 8 1.000 30.584 27.334 8.965 -99.200 -91.000 TYR 10 0.840 31.833 22.044 -0.916 -99.200 -91.000 PHE 11 1.000 32.729 22.772 8.390 -99.200 -91.000 TYR 12 0.840 31.208 17.006 8.701 -99.200 -91.000 PHE 33 1.000 34.745 4.293 5.066 -99.200 -91.000 PHE 37 1.000 28.822 -4.474 4.597 -99.200 -91.000 TYR 48 0.840 26.892 22.123 -3.807 -99.200 -91.000 PHE 53 1.000 28.662 12.492 -12.224 -99.200 -91.000 TYR 73 0.840 33.586 6.822 -2.746 -99.200 -91.000 TYR 81 0.840 35.575 16.802 8.765 -99.200 -91.000 TYR 95 0.840 32.634 40.530 10.986 -99.200 -91.000 TYR 108 0.840 19.534 30.684 12.747 -99.200 -91.000 TYR 118 0.840 15.929 43.663 5.525 -99.200 -91.000 TYR 122 0.840 24.440 42.190 -0.874 -99.200 -91.000 PHE 150 1.000 9.762 34.189 6.444 -99.200 -91.000 PHE 210 1.000 -5.637 25.648 16.836 -99.200 -91.000 TYR 224 0.840 7.812 26.899 12.759 -99.200 -91.000 TYR 233 0.840 9.623 32.125 14.105 -99.200 -91.000 TYR 264 0.840 30.139 -4.556 19.434 -99.200 -91.000 PHE 266 1.000 29.892 -2.739 30.167 -99.200 -91.000 TYR 273 0.840 29.777 9.166 32.926 -99.200 -91.000 TYR 274 0.840 38.149 12.291 26.681 -99.200 -91.000 HIS 285 0.900 16.244 7.979 28.360 -99.200 -91.000 PHE 302 1.000 19.573 6.233 38.316 -99.200 -91.000 HIS 304 0.900 20.324 13.686 45.177 -99.200 -91.000 TYR 312 0.840 31.300 1.116 32.602 -99.200 -91.000 PHE 337 1.000 25.482 8.723 30.121 -99.200 -91.000 PHE 340 1.000 23.628 16.865 29.983 -99.200 -91.000