============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. HIS 2 0.900 14.109 -0.791 -16.485 -99.200 -91.000 HIS 9 0.900 3.444 6.652 -2.557 -99.200 -91.000 PHE 16 1.000 24.763 9.875 -7.322 -99.200 -91.000 TYR 19 0.840 29.856 8.907 4.249 -99.200 -91.000 TYR 37 0.840 22.560 7.215 -11.272 -99.200 -91.000 HIS 39 0.900 16.245 5.170 -4.836 -99.200 -91.000 TYR 44 0.840 19.720 16.121 11.220 -99.200 -91.000 TYR 46 0.840 24.418 9.767 4.322 -99.200 -91.000 PHE 68 1.000 11.220 6.888 -3.671 -99.200 -91.000 TRP 74 1.040 22.578 11.022 13.590 -99.200 -91.000 TRP6 74 1.020 23.430 9.014 12.696 -99.200 -91.000 PHE 78 1.000 16.579 7.213 15.810 -99.200 -91.000 TYR 94 0.840 6.644 15.294 -2.488 -99.200 -91.000 TYR 98 0.840 12.377 11.654 8.036 -99.200 -91.000 HIS 100 0.900 21.576 7.062 8.695 -99.200 -91.000 TYR 101 0.840 23.065 3.038 12.000 -99.200 -91.000 PHE 110 1.000 28.475 10.386 13.868 -99.200 -91.000 PHE 124 1.000 12.721 -0.936 17.607 -99.200 -91.000 TRP 128 1.040 6.404 2.840 12.504 -99.200 -91.000 TRP6 128 1.020 7.757 3.062 10.605 -99.200 -91.000 PHE 146 1.000 14.565 -0.543 12.986 -99.200 -91.000 HIS 148 0.900 14.569 -12.466 12.755 -99.200 -91.000 TYR 160 0.840 -0.188 4.975 8.125 -99.200 -91.000 HIS 169 0.900 28.735 -6.318 0.823 -99.200 -91.000 TYR 171 0.840 33.636 -10.097 -0.943 -99.200 -91.000 TYR 179 0.840 11.047 -10.641 9.108 -99.200 -91.000 TYR 189 0.840 24.171 0.565 4.415 -99.200 -91.000 TYR 197 0.840 32.210 5.642 3.343 -99.200 -91.000 TRP 199 1.040 31.647 6.572 8.988 -99.200 -91.000 TRP6 199 1.020 31.303 6.641 11.324 -99.200 -91.000 TYR 228 0.840 23.997 -11.774 -5.746 -99.200 -91.000 PHE 241 1.000 32.368 11.742 -4.666 -99.200 -91.000 PHE 251 1.000 17.300 -1.098 -13.800 -99.200 -91.000 PHE 253 1.000 24.100 -7.070 -16.932 -99.200 -91.000 PHE 267 1.000 34.470 -7.579 5.637 -99.200 -91.000 TYR 269 0.840 33.163 -4.010 2.326 -99.200 -91.000 PHE 274 1.000 28.097 5.028 15.192 -99.200 -91.000 HIS 278 0.900 20.597 1.072 22.736 -99.200 -91.000 TYR 281 0.840 26.023 -3.574 17.026 -99.200 -91.000 PHE 283 1.000 24.478 -3.837 11.751 -99.200 -91.000 TYR 287 0.840 16.867 -14.295 10.280 -99.200 -91.000