============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. TYR 17 0.840 147.973 13.308 -17.950 -99.200 -91.000 PHE 31 1.000 137.308 18.846 -3.476 -99.200 -91.000 TYR 32 0.840 140.970 17.160 -6.560 -99.200 -91.000 HIS 39 0.900 140.702 4.086 -5.423 -99.200 -91.000 TYR 42 0.840 155.711 8.823 -7.086 -99.200 -91.000 TYR 49 0.840 152.167 11.850 -10.801 -99.200 -91.000 PHE 53 1.000 136.002 0.431 -7.862 -99.200 -91.000 PHE 56 1.000 144.087 0.510 -19.558 -99.200 -91.000 HIS 58 0.900 151.296 6.686 -12.677 -99.200 -91.000 HIS 59 0.900 148.997 10.340 -14.586 -99.200 -91.000 PHE 76 1.000 141.983 15.851 -25.534 -99.200 -91.000 TYR 90 0.840 146.063 18.424 -37.297 -99.200 -91.000 TYR 91 0.840 147.769 20.483 -32.157 -99.200 -91.000 PHE 105 1.000 155.924 17.828 -21.658 -99.200 -91.000 PHE 121 1.000 141.197 26.141 -23.746 -99.200 -91.000 TYR 123 0.840 143.427 20.431 -26.707 -99.200 -91.000 PHE 125 1.000 147.081 16.004 -29.002 -99.200 -91.000 PHE 126 1.000 148.762 9.716 -22.405 -99.200 -91.000 PHE 127 1.000 150.305 3.321 -27.191 -99.200 -91.000 HIS 131 0.900 148.964 -0.664 -19.617 -99.200 -91.000 HIS 136 0.900 137.617 -4.546 -13.424 -99.200 -91.000 TYR 139 0.840 132.593 -4.556 -6.927 -99.200 -91.000 TYR 142 0.840 131.605 1.190 -5.499 -99.200 -91.000 HIS 152 0.900 132.404 15.881 -19.435 -99.200 -91.000 PHE 153 1.000 140.425 16.833 -20.463 -99.200 -91.000 TYR 166 0.840 141.944 22.989 -32.672 -99.200 -91.000 PHE 172 1.000 138.409 15.900 -29.903 -99.200 -91.000 TYR 186 0.840 124.565 31.701 -29.947 -99.200 -91.000 TRP 189 1.040 128.229 19.438 -24.288 -99.200 -91.000 TRP6 189 1.020 126.987 21.407 -24.726 -99.200 -91.000 HIS 191 0.900 131.983 10.478 -30.221 -99.200 -91.000 HIS 197 0.900 130.760 16.128 -22.696 -99.200 -91.000 HIS 210 0.900 132.099 25.631 -16.552 -99.200 -91.000 HIS 211 0.900 132.540 20.935 -16.646 -99.200 -91.000 PHE 214 1.000 137.677 12.438 -12.096 -99.200 -91.000 HIS 217 0.900 130.279 1.517 -10.878 -99.200 -91.000 HIS 220 0.900 123.698 4.100 -5.392 -99.200 -91.000 HIS 245 0.900 124.022 19.886 -17.105 -99.200 -91.000 PHE 251 1.000 121.308 12.707 -10.406 -99.200 -91.000 TYR 252 0.840 123.396 19.460 -13.188 -99.200 -91.000 TYR 254 0.840 128.529 21.055 -13.348 -99.200 -91.000 HIS 261 0.900 142.108 24.392 -10.457 -99.200 -91.000 TYR 266 0.840 128.951 11.985 -16.725 -99.200 -91.000 TYR 270 0.840 123.270 10.401 -25.861 -99.200 -91.000 TYR 271 0.840 127.346 3.352 -29.868 -99.200 -91.000 TRP 282 1.040 119.803 20.179 -26.526 -99.200 -91.000 TRP6 282 1.020 118.006 19.604 -25.081 -99.200 -91.000 HIS 285 0.900 116.004 32.578 -27.918 -99.200 -91.000 TRP 292 1.040 114.294 16.436 -18.464 -99.200 -91.000 TRP6 292 1.020 113.951 16.817 -20.768 -99.200 -91.000 TRP 293 1.040 114.974 17.014 -13.209 -99.200 -91.000 TRP6 293 1.020 116.502 16.320 -11.498 -99.200 -91.000 TRP 301 1.040 128.024 25.412 -14.026 -99.200 -91.000 TRP6 301 1.020 127.511 25.340 -16.331 -99.200 -91.000 TYR 302 0.840 125.237 29.851 -16.767 -99.200 -91.000