============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 61 rings ring int. center anis. iso. TYR 6 0.840 52.071 -19.719 -30.037 -99.200 -91.000 PHE 7 1.000 52.313 -18.974 -24.969 -99.200 -91.000 HIS 25 0.900 57.731 10.751 -31.139 -99.200 -91.000 HIS 30 0.900 44.148 12.784 -36.702 -99.200 -91.000 PHE 32 1.000 44.354 1.545 -39.015 -99.200 -91.000 TYR 36 0.840 50.577 2.520 -43.631 -99.200 -91.000 HIS 40 0.900 54.460 2.410 -44.091 -99.200 -91.000 TYR 52 0.840 59.189 5.740 -24.572 -99.200 -91.000 PHE 55 1.000 48.713 8.175 -26.896 -99.200 -91.000 TRP 70 1.040 49.835 2.669 -30.224 -99.200 -91.000 TRP6 70 1.020 50.541 0.464 -30.736 -99.200 -91.000 TYR 71 0.840 49.668 -3.437 -28.170 -99.200 -91.000 PHE 79 1.000 38.315 -5.288 -36.031 -99.200 -91.000 TYR 83 0.840 40.948 4.443 -40.751 -99.200 -91.000 PHE 86 1.000 39.941 -6.197 -41.074 -99.200 -91.000 TYR 96 0.840 34.076 -5.442 -37.042 -99.200 -91.000 HIS 103 0.900 37.572 -2.210 -55.105 -99.200 -91.000 HIS 108 0.900 43.037 -2.801 -51.525 -99.200 -91.000 TYR 111 0.840 46.553 2.274 -44.077 -99.200 -91.000 PHE 112 1.000 42.791 -5.430 -46.143 -99.200 -91.000 PHE 114 1.000 50.145 -0.597 -39.113 -99.200 -91.000 TYR 124 0.840 57.619 -12.092 -30.661 -99.200 -91.000 TYR 132 0.840 36.033 -9.798 -29.313 -99.200 -91.000 PHE 133 1.000 40.212 -10.296 -36.900 -99.200 -91.000 PHE 137 1.000 40.854 -12.231 -40.604 -99.200 -91.000 TYR 138 0.840 39.262 -15.555 -34.818 -99.200 -91.000 HIS 140 0.900 39.525 -16.934 -44.478 -99.200 -91.000 TYR 148 0.840 27.351 -27.823 -45.222 -99.200 -91.000 TYR 156 0.840 18.929 -17.774 -43.216 -99.200 -91.000 HIS 157 0.900 17.342 -16.024 -48.137 -99.200 -91.000 PHE 158 1.000 26.054 -20.024 -52.592 -99.200 -91.000 TYR 159 0.840 23.489 -22.870 -44.044 -99.200 -91.000 TYR 164 0.840 15.967 -28.616 -52.109 -99.200 -91.000 TYR 175 0.840 18.257 -25.180 -59.364 -99.200 -91.000 PHE 179 1.000 31.918 -29.174 -59.975 -99.200 -91.000 PHE 186 1.000 41.886 -5.412 -55.836 -99.200 -91.000 TYR 211 0.840 28.455 -26.274 -56.773 -99.200 -91.000 HIS 213 0.900 36.726 -28.196 -49.977 -99.200 -91.000 PHE 231 1.000 45.376 -10.505 -40.747 -99.200 -91.000 PHE 235 1.000 49.115 -13.879 -37.194 -99.200 -91.000 TYR 236 0.840 50.858 -17.067 -42.110 -99.200 -91.000 PHE 247 1.000 47.539 -21.803 -30.340 -99.200 -91.000 TYR 273 0.840 14.497 -21.976 -21.794 -99.200 -91.000 HIS 274 0.900 9.467 -22.915 -31.157 -99.200 -91.000 TYR 276 0.840 14.039 -29.053 -25.037 -99.200 -91.000 TRP 285 1.040 19.387 -33.947 -17.155 -99.200 -91.000 TRP6 285 1.020 18.338 -35.620 -18.462 -99.200 -91.000 PHE 286 1.000 22.539 -25.100 -22.098 -99.200 -91.000 TRP 287 1.040 19.757 -23.401 -17.938 -99.200 -91.000 TRP6 287 1.020 20.956 -21.635 -18.954 -99.200 -91.000 PHE 293 1.000 30.235 -27.985 -21.022 -99.200 -91.000 PHE 301 1.000 26.584 -22.927 -24.976 -99.200 -91.000 PHE 304 1.000 27.573 -25.813 -31.355 -99.200 -91.000 PHE 316 1.000 25.837 -13.728 -21.828 -99.200 -91.000 PHE 328 1.000 21.606 -20.059 -25.230 -99.200 -91.000 HIS 331 0.900 14.106 -22.719 -31.643 -99.200 -91.000 HIS 344 0.900 20.543 -23.605 -37.610 -99.200 -91.000 PHE 347 1.000 17.733 -17.064 -37.639 -99.200 -91.000 TYR 355 0.840 21.218 -35.136 -26.745 -99.200 -91.000 PHE 358 1.000 24.623 -33.891 -16.333 -99.200 -91.000 HIS 363 0.900 30.975 -38.287 -24.356 -99.200 -91.000