============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. TYR 21 0.840 -11.405 45.065 -1.690 -99.200 -91.000 TYR 24 0.840 -2.395 51.236 -11.459 -99.200 -91.000 TYR 25 0.840 -8.903 44.680 -13.593 -99.200 -91.000 TYR 30 0.840 -6.702 38.001 -19.058 -99.200 -91.000 TYR 33 0.840 -4.330 31.383 -21.634 -99.200 -91.000 TYR 53 0.840 7.553 49.859 -17.023 -99.200 -91.000 PHE 57 1.000 12.675 42.849 -23.345 -99.200 -91.000 PHE 65 1.000 1.439 43.961 -24.597 -99.200 -91.000 TYR 77 0.840 -3.287 47.338 -21.582 -99.200 -91.000 PHE 84 1.000 7.408 45.090 -20.375 -99.200 -91.000 TYR 85 0.840 5.568 46.168 -31.241 -99.200 -91.000 PHE 92 1.000 12.961 37.981 -34.433 -99.200 -91.000 TYR 97 0.840 11.138 33.602 -30.749 -99.200 -91.000 PHE 98 1.000 9.884 39.645 -23.485 -99.200 -91.000 TRP 101 1.040 -1.904 35.733 -26.087 -99.200 -91.000 TRP6 101 1.020 -1.787 33.891 -27.566 -99.200 -91.000 PHE 107 1.000 -6.808 41.244 -32.843 -99.200 -91.000 PHE 134 1.000 -8.908 27.133 -37.449 -99.200 -91.000 HIS 140 0.900 1.238 28.811 -44.320 -99.200 -91.000 PHE 144 1.000 -4.789 28.205 -34.155 -99.200 -91.000 PHE 147 1.000 -4.537 24.583 -30.886 -99.200 -91.000 PHE 164 1.000 -18.039 37.799 -22.933 -99.200 -91.000 HIS 165 0.900 -14.789 41.395 -30.429 -99.200 -91.000 TRP 167 1.040 -15.350 49.774 -30.092 -99.200 -91.000 TRP6 167 1.020 -16.082 51.388 -31.654 -99.200 -91.000 PHE 174 1.000 -4.233 41.975 -41.665 -99.200 -91.000 PHE 183 1.000 4.545 42.607 -36.730 -99.200 -91.000 PHE 184 1.000 0.134 41.451 -36.246 -99.200 -91.000 PHE 197 1.000 -14.918 39.621 -35.606 -99.200 -91.000 TYR 204 0.840 2.933 36.699 -42.749 -99.200 -91.000 TYR 206 0.840 10.200 41.734 -35.730 -99.200 -91.000 TYR 209 0.840 2.974 34.285 -31.283 -99.200 -91.000 TRP 213 1.040 -10.227 33.917 -30.161 -99.200 -91.000 TRP6 213 1.020 -9.667 31.887 -29.085 -99.200 -91.000 HIS 214 0.900 -11.510 38.214 -23.287 -99.200 -91.000 TYR 220 0.840 -8.291 28.732 -15.706 -99.200 -91.000 TRP 222 1.040 -16.202 28.535 -13.579 -99.200 -91.000 TRP6 222 1.020 -16.917 26.779 -14.986 -99.200 -91.000 HIS 230 0.900 -17.440 27.981 -18.515 -99.200 -91.000 PHE 239 1.000 -2.268 22.190 -21.666 -99.200 -91.000 TYR 240 0.840 -3.332 20.847 -27.171 -99.200 -91.000 PHE 244 1.000 2.514 29.484 -30.317 -99.200 -91.000 PHE 245 1.000 2.809 34.294 -24.215 -99.200 -91.000 HIS 254 0.900 14.971 38.223 -21.875 -99.200 -91.000 HIS 255 0.900 19.513 34.981 -16.083 -99.200 -91.000 PHE 256 1.000 12.546 38.437 -12.056 -99.200 -91.000 TYR 268 0.840 3.898 31.149 -7.103 -99.200 -91.000 PHE 270 1.000 2.101 41.292 -5.690 -99.200 -91.000 TYR 274 0.840 -16.861 35.622 -5.214 -99.200 -91.000 PHE 281 1.000 -12.617 40.354 -15.332 -99.200 -91.000 TYR 285 0.840 -3.814 37.320 -8.178 -99.200 -91.000 PHE 287 1.000 -1.506 43.461 -8.597 -99.200 -91.000