============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 4 0.840 117.885 51.494 19.679 -99.200 -91.000 TYR 6 0.840 116.435 60.968 19.990 -99.200 -91.000 PHE 17 1.000 98.674 52.272 10.030 -99.200 -91.000 PHE 37 1.000 108.912 28.384 -25.085 -99.200 -91.000 TRP 69 1.040 97.373 33.715 -21.364 -99.200 -91.000 TRP6 69 1.020 98.406 32.912 -23.314 -99.200 -91.000 PHE 80 1.000 110.543 33.970 -27.152 -99.200 -91.000 TYR 96 0.840 114.127 35.687 -45.470 -99.200 -91.000 PHE 113 1.000 92.296 37.419 -28.088 -99.200 -91.000 PHE 127 1.000 112.983 31.185 -37.505 -99.200 -91.000 HIS 130 0.900 124.121 27.467 -37.190 -99.200 -91.000 TYR 141 0.840 132.881 35.619 -35.037 -99.200 -91.000 HIS 158 0.900 109.141 38.861 -36.728 -99.200 -91.000 HIS 188 0.900 106.389 48.222 -41.622 -99.200 -91.000 TYR 196 0.840 115.514 39.587 -25.954 -99.200 -91.000 TYR 200 0.840 125.084 39.918 -18.447 -99.200 -91.000 TYR 204 0.840 120.865 31.189 -13.497 -99.200 -91.000 TYR 205 0.840 120.305 32.603 -21.821 -99.200 -91.000 PHE 208 1.000 113.997 30.224 -25.775 -99.200 -91.000 TYR 219 0.840 126.150 34.660 -30.355 -99.200 -91.000 HIS 231 0.900 130.806 51.664 -22.103 -99.200 -91.000 TYR 252 0.840 123.154 37.960 -15.387 -99.200 -91.000 PHE 263 1.000 122.247 54.049 -20.389 -99.200 -91.000 PHE 268 1.000 109.819 46.880 -21.097 -99.200 -91.000 TYR 270 0.840 112.522 36.008 -21.626 -99.200 -91.000 TYR 276 0.840 107.924 28.164 -15.157 -99.200 -91.000 HIS 279 0.900 112.257 31.362 -8.668 -99.200 -91.000 TRP 287 1.040 112.477 20.600 -1.765 -99.200 -91.000 TRP6 287 1.020 114.085 20.312 -3.455 -99.200 -91.000 PHE 300 1.000 112.717 39.724 -12.388 -99.200 -91.000 TYR 311 0.840 109.106 31.250 -20.097 -99.200 -91.000 PHE 312 1.000 106.919 31.200 -11.896 -99.200 -91.000