============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 67 rings ring int. center anis. iso. TYR 6 0.840 15.605 -27.323 -16.725 -99.200 -91.000 PHE 7 1.000 17.940 -34.616 -11.166 -99.200 -91.000 TRP 20 1.040 18.385 -19.570 4.980 -99.200 -91.000 TRP6 20 1.020 17.680 -17.675 6.171 -99.200 -91.000 PHE 21 1.000 19.346 -28.370 10.735 -99.200 -91.000 HIS 22 0.900 24.816 -26.451 8.717 -99.200 -91.000 PHE 27 1.000 20.890 -14.302 14.502 -99.200 -91.000 TRP 45 1.040 16.336 -35.991 -5.089 -99.200 -91.000 TRP6 45 1.020 15.361 -37.659 -3.734 -99.200 -91.000 PHE 48 1.000 13.360 -31.024 -11.559 -99.200 -91.000 TYR 52 0.840 18.451 -39.181 -15.606 -99.200 -91.000 TYR 54 0.840 7.912 -41.391 -18.989 -99.200 -91.000 TYR 58 0.840 8.339 -46.026 -20.459 -99.200 -91.000 TYR 59 0.840 11.650 -39.874 -23.783 -99.200 -91.000 PHE 60 1.000 19.880 -47.201 -21.323 -99.200 -91.000 TYR 67 0.840 28.181 -43.788 -18.600 -99.200 -91.000 HIS 68 0.900 28.871 -44.847 -23.452 -99.200 -91.000 PHE 73 1.000 31.963 -37.261 -17.619 -99.200 -91.000 PHE 75 1.000 26.080 -30.439 -17.463 -99.200 -91.000 TYR 91 0.840 21.273 -37.279 10.877 -99.200 -91.000 TRP 93 1.040 11.772 -32.892 9.710 -99.200 -91.000 TRP6 93 1.020 12.022 -31.900 7.582 -99.200 -91.000 TRP 103 1.040 25.882 -45.277 4.168 -99.200 -91.000 TRP6 103 1.020 28.235 -45.194 4.000 -99.200 -91.000 PHE 112 1.000 28.614 -40.402 -13.697 -99.200 -91.000 TRP 121 1.040 42.674 -40.330 -16.224 -99.200 -91.000 TRP6 121 1.020 43.649 -41.278 -14.309 -99.200 -91.000 PHE 126 1.000 38.558 -33.925 -21.703 -99.200 -91.000 HIS 132 0.900 32.392 -27.496 -22.234 -99.200 -91.000 PHE 135 1.000 37.010 -33.705 -15.135 -99.200 -91.000 TYR 136 0.840 35.958 -27.068 -11.506 -99.200 -91.000 PHE 144 1.000 35.570 -30.412 -2.310 -99.200 -91.000 TYR 155 0.840 29.800 -44.023 9.143 -99.200 -91.000 HIS 156 0.900 32.998 -36.580 12.488 -99.200 -91.000 TYR 160 0.840 39.127 -34.630 8.147 -99.200 -91.000 PHE 162 1.000 33.908 -40.970 -0.253 -99.200 -91.000 PHE 163 1.000 38.331 -31.256 2.463 -99.200 -91.000 TRP 170 1.040 39.391 -26.517 -6.989 -99.200 -91.000 TRP6 170 1.020 39.715 -25.479 -4.908 -99.200 -91.000 PHE 173 1.000 38.825 -29.892 -15.296 -99.200 -91.000 HIS 180 0.900 39.287 -25.133 -23.611 -99.200 -91.000 PHE 190 1.000 28.592 -25.969 -24.975 -99.200 -91.000 PHE 202 1.000 32.873 -18.934 -1.802 -99.200 -91.000 TYR 208 0.840 39.121 -28.013 6.915 -99.200 -91.000 HIS 213 0.900 33.770 -32.522 15.246 -99.200 -91.000 TRP 224 1.040 34.624 -18.071 3.158 -99.200 -91.000 TRP6 224 1.020 33.832 -16.360 4.573 -99.200 -91.000 TYR 226 0.840 41.371 -19.736 -6.411 -99.200 -91.000 PHE 228 1.000 34.243 -14.062 0.162 -99.200 -91.000 PHE 232 1.000 35.606 -9.807 -4.607 -99.200 -91.000 PHE 233 1.000 39.813 -13.032 -10.994 -99.200 -91.000 PHE 238 1.000 25.250 -12.625 -14.338 -99.200 -91.000 TRP 240 1.040 32.149 -13.466 -22.491 -99.200 -91.000 TRP6 240 1.020 32.674 -15.421 -21.317 -99.200 -91.000 TRP 251 1.040 17.698 -22.266 -11.096 -99.200 -91.000 TRP6 251 1.020 17.356 -22.230 -8.761 -99.200 -91.000 PHE 253 1.000 27.012 -17.809 -11.988 -99.200 -91.000 PHE 255 1.000 27.213 -28.073 -5.331 -99.200 -91.000 PHE 267 1.000 35.278 -18.444 7.185 -99.200 -91.000 TYR 268 0.840 27.466 -13.627 12.905 -99.200 -91.000 HIS 269 0.900 26.882 -20.754 14.191 -99.200 -91.000 PHE 279 1.000 29.116 -9.410 -0.123 -99.200 -91.000 PHE 281 1.000 22.578 -16.691 5.541 -99.200 -91.000 PHE 283 1.000 26.524 -11.746 -4.265 -99.200 -91.000 TYR 297 0.840 8.905 -13.691 -17.010 -99.200 -91.000 PHE 304 1.000 11.507 -25.594 -14.935 -99.200 -91.000 PHE 305 1.000 9.020 -29.419 -16.548 -99.200 -91.000