============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 90 rings ring int. center anis. iso. PHE 11 1.000 65.498 -8.152 68.901 -99.200 -91.000 PHE 20 1.000 63.084 -23.213 75.798 -99.200 -91.000 HIS 32 0.900 73.137 -20.068 65.447 -99.200 -91.000 PHE 34 1.000 67.940 -12.882 69.153 -99.200 -91.000 TYR 54 0.840 64.677 -20.398 71.924 -99.200 -91.000 PHE 58 1.000 67.289 -26.273 57.961 -99.200 -91.000 TYR 69 0.840 58.029 -4.259 76.850 -99.200 -91.000 TRP 77 1.040 65.537 -1.495 73.000 -99.200 -91.000 TRP6 77 1.020 63.883 -1.423 71.313 -99.200 -91.000 TYR 107 0.840 44.693 -7.456 66.384 -99.200 -91.000 TYR 113 0.840 55.276 -25.040 59.051 -99.200 -91.000 TYR 119 0.840 64.455 -24.686 53.290 -99.200 -91.000 TRP 120 1.040 56.805 -21.983 53.223 -99.200 -91.000 TRP6 120 1.020 54.634 -21.407 52.487 -99.200 -91.000 HIS 123 0.900 56.260 -28.953 54.762 -99.200 -91.000 TRP 129 1.040 50.390 -24.245 57.799 -99.200 -91.000 TRP6 129 1.020 48.086 -24.128 57.320 -99.200 -91.000 TRP 153 1.040 53.256 -10.664 73.974 -99.200 -91.000 TRP6 153 1.020 52.808 -10.091 71.725 -99.200 -91.000 PHE 162 1.000 37.981 -17.803 60.626 -99.200 -91.000 PHE 163 1.000 44.712 -22.520 53.492 -99.200 -91.000 HIS 171 0.900 41.298 -29.351 44.786 -99.200 -91.000 PHE 175 1.000 46.568 -18.807 55.719 -99.200 -91.000 TYR 192 0.840 48.114 -10.343 59.691 -99.200 -91.000 PHE 204 1.000 48.116 -19.309 45.558 -99.200 -91.000 PHE 208 1.000 43.801 -14.964 56.880 -99.200 -91.000 TYR 209 0.840 38.765 -9.187 53.509 -99.200 -91.000 TRP 217 1.040 41.296 -13.556 60.809 -99.200 -91.000 TRP6 217 1.020 42.730 -11.752 60.287 -99.200 -91.000 PHE 219 1.000 42.843 -16.953 52.649 -99.200 -91.000 PHE 226 1.000 49.721 -20.275 40.044 -99.200 -91.000 TRP 236 1.040 49.654 6.114 46.736 -99.200 -91.000 TRP6 236 1.020 51.215 7.370 47.978 -99.200 -91.000 TYR 248 0.840 66.350 -18.360 41.880 -99.200 -91.000 TYR 254 0.840 50.556 -8.672 41.090 -99.200 -91.000 TRP 263 1.040 45.130 -9.626 44.166 -99.200 -91.000 TRP6 263 1.020 47.196 -9.883 45.283 -99.200 -91.000 TRP 274 1.040 62.651 -0.910 44.131 -99.200 -91.000 TRP6 274 1.020 60.422 -0.262 44.586 -99.200 -91.000 PHE 289 1.000 55.419 -0.770 49.159 -99.200 -91.000 PHE 302 1.000 61.117 -2.152 48.040 -99.200 -91.000 HIS 304 0.900 65.087 -6.800 47.518 -99.200 -91.000 PHE 308 1.000 76.314 -4.562 44.453 -99.200 -91.000 TRP 312 1.040 68.123 -17.938 49.657 -99.200 -91.000 TRP6 312 1.020 68.941 -19.799 48.459 -99.200 -91.000 TRP 320 1.040 65.303 1.443 46.665 -99.200 -91.000 TRP6 320 1.020 66.210 2.329 44.676 -99.200 -91.000 TYR 328 0.840 67.014 10.445 46.415 -99.200 -91.000 TYR 342 0.840 63.748 -11.898 55.456 -99.200 -91.000 TYR 347 0.840 58.532 10.123 59.942 -99.200 -91.000 TYR 353 0.840 63.786 5.708 65.784 -99.200 -91.000 HIS 356 0.900 70.356 -3.497 58.936 -99.200 -91.000 TYR 364 0.840 70.930 -15.092 59.184 -99.200 -91.000 PHE 368 1.000 66.305 1.080 67.477 -99.200 -91.000 TRP 385 1.