============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. TYR 12 0.840 21.506 -36.589 0.138 -99.200 -91.000 PHE 13 1.000 21.172 -29.801 -2.080 -99.200 -91.000 HIS 16 0.900 32.805 -18.829 6.054 -99.200 -91.000 HIS 39 0.900 -2.468 -5.365 -10.667 -99.200 -91.000 PHE 40 1.000 0.073 -11.978 -2.945 -99.200 -91.000 TYR 52 0.840 -12.543 -22.359 3.883 -99.200 -91.000 PHE 55 1.000 -12.529 -27.684 -2.254 -99.200 -91.000 HIS 56 0.900 -11.012 -28.830 -9.013 -99.200 -91.000 PHE 61 1.000 -3.460 -19.347 -11.377 -99.200 -91.000 PHE 68 1.000 3.396 -18.692 -19.879 -99.200 -91.000 TYR 69 0.840 2.055 -24.498 -21.355 -99.200 -91.000 TYR 73 0.840 6.013 -22.972 -24.077 -99.200 -91.000 TYR 87 0.840 -2.924 -25.756 -3.520 -99.200 -91.000 TYR 106 0.840 9.496 -52.264 -12.211 -99.200 -91.000 TYR 114 0.840 14.041 -30.872 -8.460 -99.200 -91.000 TYR 117 0.840 11.438 -35.247 -10.837 -99.200 -91.000 HIS 137 0.900 25.010 -32.921 -26.786 -99.200 -91.000 TYR 138 0.840 24.327 -35.594 -18.537 -99.200 -91.000 TRP 142 1.040 12.979 -42.967 -25.431 -99.200 -91.000 TRP6 142 1.020 12.405 -42.585 -23.170 -99.200 -91.000 TYR 157 0.840 8.034 -37.720 -11.992 -99.200 -91.000 TYR 160 0.840 15.542 -33.490 -21.212 -99.200 -91.000 PHE 174 1.000 10.003 -32.569 -24.750 -99.200 -91.000 PHE 181 1.000 7.893 -44.852 -23.098 -99.200 -91.000 HIS 190 0.900 9.339 -31.268 -20.062 -99.200 -91.000 PHE 192 1.000 8.816 -26.114 -20.625 -99.200 -91.000 TYR 194 0.840 15.693 -24.278 -13.429 -99.200 -91.000 PHE 197 1.000 15.365 -18.934 -15.894 -99.200 -91.000 PHE 199 1.000 21.107 -20.318 -20.349 -99.200 -91.000 TYR 220 0.840 5.982 -22.022 -17.126 -99.200 -91.000 TYR 226 0.840 6.274 -15.236 -14.720 -99.200 -91.000 PHE 230 1.000 5.525 -13.928 -4.515 -99.200 -91.000 PHE 234 1.000 0.828 -23.112 -15.684 -99.200 -91.000 TYR 247 0.840 -3.022 -35.962 -3.641 -99.200 -91.000 HIS 250 0.900 -10.587 -36.582 -2.358 -99.200 -91.000 PHE 255 1.000 -4.292 -15.063 0.240 -99.200 -91.000 TYR 264 0.840 -0.181 -7.042 -13.228 -99.200 -91.000 HIS 268 0.900 -0.730 -7.613 -17.401 -99.200 -91.000 TYR 269 0.840 5.379 -8.523 -14.969 -99.200 -91.000 PHE 272 1.000 11.411 -10.578 -14.662 -99.200 -91.000 PHE 280 1.000 20.064 -16.731 -13.830 -99.200 -91.000 PHE 287 1.000 31.345 -20.242 -12.738 -99.200 -91.000 PHE 297 1.000 32.782 -25.722 -19.108 -99.200 -91.000 HIS 299 0.900 27.545 -24.569 -23.675 -99.200 -91.000 TYR 305 0.840 20.672 -25.186 -10.983 -99.200 -91.000 TRP 307 1.040 26.513 -32.528 -14.647 -99.200 -91.000 TRP6 307 1.020 25.856 -33.044 -12.433 -99.200 -91.000 TYR 314 0.840 39.716 -33.680 -3.981 -99.200 -91.000 PHE 319 1.000 35.876 -30.114 -6.568 -99.200 -91.000 PHE 322 1.000 39.936 -28.783 -2.207 -99.200 -91.000 PHE 337 1.000 21.263 -32.489 -7.931 -99.200 -91.000 TYR 344 0.840 29.712 -34.846 -14.336 -99.200 -91.000 TYR 368 0.840 46.244 -27.547 -7.094 -99.200 -91.000 TYR 370 0.840 39.135 -30.272 -12.142 -99.200 -91.000