============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 70 rings ring int. center anis. iso. PHE 10 1.000 49.957 327.796 -3.808 -99.200 -91.000 TYR 11 0.840 42.265 322.672 -3.838 -99.200 -91.000 PHE 19 1.000 45.159 319.093 -10.056 -99.200 -91.000 PHE 21 1.000 45.485 321.541 -21.590 -99.200 -91.000 PHE 25 1.000 35.230 328.759 -9.324 -99.200 -91.000 HIS 26 0.900 29.652 319.788 -9.631 -99.200 -91.000 HIS 30 0.900 25.283 316.498 0.312 -99.200 -91.000 PHE 54 1.000 43.171 313.960 -10.351 -99.200 -91.000 TRP 58 1.040 36.861 326.853 0.420 -99.200 -91.000 TRP6 58 1.020 38.913 327.647 -0.440 -99.200 -91.000 PHE 70 1.000 34.348 310.764 -16.130 -99.200 -91.000 PHE 87 1.000 41.696 301.672 -31.594 -99.200 -91.000 TRP 100 1.040 23.577 323.476 -16.894 -99.200 -91.000 TRP6 100 1.020 21.990 321.735 -16.913 -99.200 -91.000 TRP 110 1.040 44.019 315.806 -28.941 -99.200 -91.000 TRP6 110 1.020 44.622 316.678 -26.833 -99.200 -91.000 HIS 112 0.900 43.660 308.901 -32.404 -99.200 -91.000 TRP 113 1.040 34.862 305.838 -34.860 -99.200 -91.000 TRP6 113 1.020 33.405 304.485 -33.598 -99.200 -91.000 PHE 131 1.000 35.024 309.488 -21.570 -99.200 -91.000 TYR 143 0.840 26.952 314.820 -27.993 -99.200 -91.000 TYR 155 0.840 34.268 309.789 -44.947 -99.200 -91.000 PHE 160 1.000 39.328 313.206 -48.898 -99.200 -91.000 TRP 162 1.040 27.758 316.547 -45.463 -99.200 -91.000 TRP6 162 1.020 26.637 315.573 -47.295 -99.200 -91.000 TYR 166 0.840 40.104 313.702 -40.877 -99.200 -91.000 PHE 171 1.000 41.473 322.115 -29.526 -99.200 -91.000 TYR 189 0.840 31.373 319.617 -41.284 -99.200 -91.000 TYR 190 0.840 41.051 316.473 -45.259 -99.200 -91.000 PHE 191 1.000 42.706 318.214 -40.306 -99.200 -91.000 PHE 204 1.000 23.978 312.259 -17.741 -99.200 -91.000 TYR 207 0.840 26.440 305.865 -22.390 -99.200 -91.000 TRP 214 1.040 24.245 307.477 -28.640 -99.200 -91.000 TRP6 214 1.020 26.488 307.262 -27.936 -99.200 -91.000 HIS 215 0.900 20.857 311.559 -35.023 -99.200 -91.000 PHE 223 1.000 24.274 324.079 -41.507 -99.200 -91.000 TYR 230 0.840 34.141 330.062 -42.977 -99.200 -91.000 PHE 231 1.000 38.858 325.279 -48.453 -99.200 -91.000 TYR 234 0.840 43.644 324.214 -37.230 -99.200 -91.000 TRP 235 1.040 33.695 328.535 -37.156 -99.200 -91.000 TRP6 235 1.020 31.758 327.352 -36.511 -99.200 -91.000 TYR 237 0.840 43.082 326.414 -30.795 -99.200 -91.000 PHE 244 1.000 27.243 338.485 -27.806 -99.200 -91.000 TYR 253 0.840 25.007 327.926 -30.317 -99.200 -91.000 TRP 260 1.040 37.640 332.430 -41.429 -99.200 -91.000 TRP6 260 1.020 37.584 334.629 -42.278 -99.200 -91.000 TRP 262 1.040 44.908 331.302 -47.542 -99.200 -91.000 TRP6 262 1.020 42.857 332.099 -48.414 -99.200 -91.000 TYR 273 0.840 16.734 327.990 -36.202 -99.200 -91.000 TYR 274 0.840 25.008 325.220 -35.220 -99.200 -91.000 HIS 278 0.900 26.782 341.053 -34.885 -99.200 -91.000 TYR 288 0.840 46.525 329.764 -33.085 -99.200 -91.000 PHE 289 1.000 40.384 338.581 -33.409 -99.200 -91.000 HIS 291 0.900 44.791 330.338 -27.176 -99.200 -91.000 HIS 304 0.900 25.673 338.110 -21.816 -99.200 -91.000 TYR 313 0.840 49.229 342.919 -32.262 -99.200 -91.000 TYR 329 0.840 42.412 342.483 -31.006 -99.200 -91.000 PHE 331 1.000 35.864 343.147 -31.184 -99.200 -91.000 HIS 338 0.900 21.693 350.571 -33.845 -99.200 -91.000 TYR 353 0.840 59.889 335.261 -27.656 -99.200 -91.000 PHE 356 1.000 47.230 341.079 -21.929 -99.200 -91.000 TYR 371 0.840 30.037 350.585 -14.197 -99.200 -91.000 TYR 380 0.840 54.757 329.725 -21.357 -99.200 -91.000 PHE 392 1.000 43.846 344.513 -17.897 -99.200 -91.000 PHE 411 1.000 51.678 327.202 -9.016 -99.200 -91.000 PHE 417 1.000 49.811 332.204 -12.012 -99.200 -91.000 PHE 419 1.000 46.907 326.280 -21.955 -99.200 -91.000 TYR 432 0.840 33.449 341.275 -0.957 -99.200 -91.000 TYR 440 0.840 50.142 323.075 -19.540 -99.200 -91.000 TYR 448 0.840 45.976 333.892 -6.983 -99.200 -91.000