============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 14 1.000 -17.079 -2.377 -24.138 -99.200 -91.000 HIS 20 0.900 -23.640 -24.525 -18.185 -99.200 -91.000 TRP 25 1.040 -19.840 -34.551 -17.335 -99.200 -91.000 TRP6 25 1.020 -20.055 -35.436 -15.131 -99.200 -91.000 TYR 33 0.840 -11.951 -34.109 -12.917 -99.200 -91.000 HIS 47 0.900 -9.174 -36.005 -28.509 -99.200 -91.000 HIS 49 0.900 -18.589 -28.669 -28.924 -99.200 -91.000 TYR 64 0.840 -20.415 -16.491 -14.776 -99.200 -91.000 TRP 65 1.040 -13.722 -21.777 -17.026 -99.200 -91.000 TRP6 65 1.020 -13.485 -22.630 -19.206 -99.200 -91.000 TYR 68 0.840 -23.739 -32.294 -15.120 -99.200 -91.000 HIS 94 0.900 -3.332 -24.033 -19.655 -99.200 -91.000 HIS 126 0.900 -27.355 -32.140 -9.022 -99.200 -91.000 TYR 139 0.840 -20.072 -16.022 -2.522 -99.200 -91.000 TYR 145 0.840 -23.778 -20.198 -13.630 -99.200 -91.000 HIS 150 0.900 -28.275 -31.669 -15.847 -99.200 -91.000 TRP 156 1.040 -33.581 -27.932 -2.663 -99.200 -91.000 TRP6 156 1.020 -32.760 -26.273 -4.125 -99.200 -91.000 PHE 172 1.000 -33.455 -26.328 2.154 -99.200 -91.000 HIS 191 0.900 -30.255 -27.989 -17.578 -99.200 -91.000 PHE 210 1.000 -34.266 -17.663 -17.289 -99.200 -91.000 HIS 212 0.900 -27.086 -24.389 -20.017 -99.200 -91.000 HIS 221 0.900 -36.607 -29.304 -24.939 -99.200 -91.000 PHE 244 1.000 -24.079 -20.090 -29.436 -99.200 -91.000 PHE 248 1.000 -32.313 -27.477 -25.043 -99.200 -91.000 TRP 256 1.040 -34.158 -36.217 -36.560 -99.200 -91.000 TRP6 256 1.020 -32.535 -37.012 -35.075 -99.200 -91.000 HIS 267 0.900 -37.600 -50.072 -32.667 -99.200 -91.000 PHE 269 1.000 -33.627 -50.953 -26.936 -99.200 -91.000 HIS 270 0.900 -35.225 -43.569 -20.126 -99.200 -91.000 HIS 271 0.900 -35.778 -39.787 -23.170 -99.200 -91.000 HIS 282 0.900 -31.173 -41.962 -32.750 -99.200 -91.000 PHE 285 1.000 -35.899 -41.128 -36.175 -99.200 -91.000 HIS 302 0.900 -34.386 -19.411 -30.475 -99.200 -91.000 HIS 305 0.900 -40.097 -13.520 -29.341 -99.200 -91.000 HIS 314 0.900 -33.147 -6.284 -18.567 -99.200 -91.000 TYR 321 0.840 -19.678 -23.498 -28.371 -99.200 -91.000 PHE 326 1.000 -25.675 -34.462 -32.363 -99.200 -91.000 TYR 337 0.840 -18.813 -17.708 -28.262 -99.200 -91.000 TRP 349 1.040 -29.325 -7.342 -33.082 -99.200 -91.000 TRP6 349 1.020 -29.379 -8.070 -30.850 -99.200 -91.000 TRP 359 1.040 -17.266 -6.513 -20.372 -99.200 -91.000 TRP6 359 1.020 -15.726 -8.256 -19.899 -99.200 -91.000