============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 61 rings ring int. center anis. iso. HIS 3 0.900 11.933 29.933 -23.556 -99.200 -91.000 PHE 8 1.000 22.856 44.624 -18.095 -99.200 -91.000 PHE 14 1.000 26.219 47.496 -5.862 -99.200 -91.000 PHE 15 1.000 27.546 46.678 -14.786 -99.200 -91.000 HIS 18 0.900 32.580 53.344 -17.594 -99.200 -91.000 HIS 31 0.900 30.617 34.076 -31.166 -99.200 -91.000 HIS 35 0.900 30.429 29.707 -31.422 -99.200 -91.000 PHE 44 1.000 38.481 17.407 -22.859 -99.200 -91.000 TRP 47 1.040 30.549 22.503 -23.990 -99.200 -91.000 TRP6 47 1.020 29.841 24.767 -24.193 -99.200 -91.000 TYR 54 0.840 19.684 15.302 -30.719 -99.200 -91.000 PHE 59 1.000 16.331 12.713 -27.758 -99.200 -91.000 TYR 85 0.840 24.179 13.285 -7.340 -99.200 -91.000 PHE 98 1.000 6.000 17.218 0.031 -99.200 -91.000 TYR 104 0.840 5.667 9.173 -16.386 -99.200 -91.000 PHE 109 1.000 19.530 10.924 -8.771 -99.200 -91.000 HIS 113 0.900 26.546 8.511 -0.799 -99.200 -91.000 TYR 118 0.840 21.922 7.750 0.036 -99.200 -91.000 TYR 125 0.840 12.592 3.717 -1.081 -99.200 -91.000 PHE 131 1.000 16.979 -3.062 -8.062 -99.200 -91.000 PHE 149 1.000 27.517 -2.154 -12.604 -99.200 -91.000 PHE 152 1.000 22.596 -0.582 -5.316 -99.200 -91.000 TYR 160 0.840 14.531 -7.991 -11.103 -99.200 -91.000 PHE 170 1.000 18.266 0.151 -19.387 -99.200 -91.000 TYR 189 0.840 25.098 -5.293 -17.976 -99.200 -91.000 PHE 192 1.000 21.176 4.256 -23.674 -99.200 -91.000 TYR 202 0.840 31.162 22.885 -19.783 -99.200 -91.000 TYR 243 0.840 29.063 35.301 -26.005 -99.200 -91.000 TYR 245 0.840 25.698 34.741 -15.105 -99.200 -91.000 TYR 253 0.840 37.940 37.208 -9.591 -99.200 -91.000 TYR 257 0.840 31.133 43.738 -5.345 -99.200 -91.000 TYR 264 0.840 13.191 34.801 -4.070 -99.200 -91.000 TYR 269 0.840 20.306 17.743 -4.890 -99.200 -91.000 PHE 270 1.000 19.613 25.716 -12.613 -99.200 -91.000 TRP 273 1.040 24.118 21.287 -14.193 -99.200 -91.000 TRP6 273 1.020 23.859 23.366 -15.320 -99.200 -91.000 TRP 274 1.040 25.490 28.921 -11.610 -99.200 -91.000 TRP6 274 1.020 26.590 29.753 -9.675 -99.200 -91.000 PHE 278 1.000 29.096 29.798 -14.296 -99.200 -91.000 PHE 286 1.000 47.042 27.641 -6.206 -99.200 -91.000 TYR 290 0.840 33.090 29.048 -2.197 -99.200 -91.000 TYR 296 0.840 17.667 34.468 -0.726 -99.200 -91.000 HIS 301 0.900 12.852 33.717 7.375 -99.200 -91.000 TYR 306 0.840 28.425 37.009 5.847 -99.200 -91.000 PHE 313 1.000 33.563 38.093 1.578 -99.200 -91.000 PHE 315 1.000 28.783 38.089 -8.622 -99.200 -91.000 HIS 323 0.900 1.895 29.772 -15.158 -99.200 -91.000 TYR 326 0.840 0.367 21.952 -8.906 -99.200 -91.000 TYR 342 0.840 -0.429 42.677 5.125 -99.200 -91.000 PHE 356 1.000 12.628 38.784 -7.966 -99.200 -91.000 HIS 363 0.900 19.587 40.378 -0.038 -99.200 -91.000 PHE 382 1.000 17.103 21.325 -16.612 -99.200 -91.000 TYR 384 0.840 17.112 30.173 -24.061 -99.200 -91.000 TYR 387 0.840 24.030 26.083 -25.982 -99.200 -91.000 PHE 388 1.000