============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 16 1.000 28.440 -13.069 30.107 -99.200 -91.000 PHE 21 1.000 20.382 -24.984 25.127 -99.200 -91.000 PHE 23 1.000 29.422 -22.320 19.047 -99.200 -91.000 TRP 35 1.040 32.588 -32.895 15.578 -99.200 -91.000 TRP6 35 1.020 31.837 -31.172 17.013 -99.200 -91.000 PHE 41 1.000 41.631 -30.441 18.586 -99.200 -91.000 PHE 54 1.000 31.208 -18.924 24.538 -99.200 -91.000 TYR 58 0.840 39.515 -19.403 33.309 -99.200 -91.000 PHE 77 1.000 34.628 -23.587 30.031 -99.200 -91.000 TYR 90 0.840 41.471 -28.888 23.426 -99.200 -91.000 HIS 94 0.900 42.860 -22.982 23.800 -99.200 -91.000 TRP 99 1.040 43.858 -18.014 35.190 -99.200 -91.000 TRP6 99 1.020 44.973 -19.202 36.900 -99.200 -91.000 PHE 104 1.000 50.387 -18.326 38.461 -99.200 -91.000 HIS 111 0.900 50.295 -7.807 25.780 -99.200 -91.000 PHE 113 1.000 54.334 -18.419 24.490 -99.200 -91.000 PHE 123 1.000 42.480 -25.209 18.314 -99.200 -91.000 TYR 126 0.840 47.918 -28.807 33.402 -99.200 -91.000 HIS 150 0.900 67.699 -21.980 23.444 -99.200 -91.000 TYR 151 0.840 65.055 -23.929 31.867 -99.200 -91.000 PHE 159 1.000 46.872 -41.769 30.694 -99.200 -91.000 TYR 169 0.840 52.070 -29.601 22.593 -99.200 -91.000 PHE 197 1.000 53.324 -33.950 19.386 -99.200 -91.000 TRP 206 1.040 36.658 -36.364 27.998 -99.200 -91.000 TRP6 206 1.020 38.367 -35.072 29.006 -99.200 -91.000 PHE 216 1.000 58.598 -32.559 26.298 -99.200 -91.000 PHE 234 1.000 52.564 -30.237 42.567 -99.200 -91.000 HIS 257 0.900 19.519 -28.720 32.493 -99.200 -91.000 HIS 266 0.900 12.719 -42.894 25.836 -99.200 -91.000 PHE 273 1.000 4.501 -53.481 30.208 -99.200 -91.000 TYR 282 0.840 12.813 -47.828 39.891 -99.200 -91.000 PHE 285 1.000 8.051 -42.177 44.116 -99.200 -91.000 PHE 325 1.000 26.895 -33.704 45.667 -99.200 -91.000 PHE 331 1.000 29.140 -43.106 35.345 -99.200 -91.000 HIS 341 0.900 16.996 -42.049 26.835 -99.200 -91.000 TYR 344 0.840 14.655 -47.949 21.194 -99.200 -91.000 TYR 346 0.840 25.201 -51.351 25.120 -99.200 -91.000 TYR 350 0.840 17.759 -43.264 20.687 -99.200 -91.000 TYR 355 0.840 24.670 -35.645 26.631 -99.200 -91.000 HIS 362 0.900 33.811 -34.883 32.598 -99.200 -91.000