============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. TYR 17 0.840 -9.453 -56.695 39.273 -99.200 -91.000 PHE 31 1.000 -10.950 -44.052 25.456 -99.200 -91.000 TYR 32 0.840 -11.455 -48.064 28.649 -99.200 -91.000 HIS 39 0.900 -5.263 -58.097 22.817 -99.200 -91.000 TYR 42 0.840 -17.961 -63.688 30.464 -99.200 -91.000 TYR 49 0.840 -15.139 -59.628 33.773 -99.200 -91.000 PHE 53 1.000 1.109 -58.600 22.209 -99.200 -91.000 PHE 56 1.000 0.562 -64.798 34.887 -99.200 -91.000 HIS 58 0.900 -11.049 -63.459 33.380 -99.200 -91.000 HIS 59 0.900 -10.233 -59.355 35.656 -99.200 -91.000 PHE 76 1.000 -2.818 -52.063 45.018 -99.200 -91.000 TYR 90 0.840 -1.673 -53.823 57.600 -99.200 -91.000 TYR 91 0.840 -6.302 -52.633 54.375 -99.200 -91.000 PHE 105 1.000 -15.912 -58.396 46.661 -99.200 -91.000 PHE 121 1.000 -8.236 -43.162 47.014 -99.200 -91.000 TYR 123 0.840 -5.677 -49.487 48.236 -99.200 -91.000 PHE 125 1.000 -4.948 -55.351 49.724 -99.200 -91.000 PHE 126 1.000 -6.099 -60.724 42.194 -99.200 -91.000 PHE 127 1.000 -2.084 -67.305 44.613 -99.200 -91.000 HIS 131 0.900 -2.273 -68.943 35.844 -99.200 -91.000 HIS 136 0.900 4.846 -64.200 25.778 -99.200 -91.000 TYR 139 0.840 5.702 -60.134 18.360 -99.200 -91.000 TYR 142 0.840 2.842 -54.865 19.197 -99.200 -91.000 HIS 152 0.900 1.552 -45.419 36.868 -99.200 -91.000 PHE 153 1.000 -4.417 -49.741 40.303 -99.200 -91.000 TYR 166 0.840 -2.993 -47.095 53.926 -99.200 -91.000 PHE 172 1.000 1.963 -50.362 47.721 -99.200 -91.000 TYR 186 0.840 3.262 -28.549 46.816 -99.200 -91.000 TRP 189 1.040 5.065 -40.712 40.971 -99.200 -91.000 TRP6 189 1.020 5.169 -38.383 41.464 -99.200 -91.000 HIS 191 0.900 9.553 -50.443 44.301 -99.200 -91.000 HIS 197 0.900 4.181 -44.636 39.185 -99.200 -91.000 HIS 210 0.900 -4.487 -37.210 38.184 -99.200 -91.000 HIS 211 0.900 -2.470 -41.169 36.354 -99.200 -91.000 PHE 214 1.000 -4.287 -50.430 30.945 -99.200 -91.000 HIS 217 0.900 6.275 -54.458 23.617 -99.200 -91.000 HIS 220 0.900 7.212 -47.717 17.833 -99.200 -91.000 HIS 245 0.900 5.190 -38.086 33.451 -99.200 -91.000 PHE 251 1.000 7.121 -40.093 24.420 -99.200 -91.000 TYR 252 0.840 3.722 -36.843 30.100 -99.200 -91.000 TYR 254 0.840 -1.063 -37.974 32.407 -99.200 -91.000 HIS 261 0.900 -14.061 -43.551 35.032 -99.200 -91.000 TYR 266 0.840 5.048 -44.915 33.430 -99.200 -91.000 TYR 270 0.840 13.991 -44.579 38.123 -99.200 -91.000 TYR 271 0.840 16.151 -53.254 39.861 -99.200 -91.000 TRP 282 1.040 11.940 -34.793 40.494 -99.200 -91.000 TRP6 282 1.020 12.868 -33.942 38.496 -99.200 -91.000 HIS 285 0.900 7.465 -22.628 43.485 -99.200 -91.000 TRP 292 1.040 14.112 -34.074 30.649 -99.200 -91.000 TRP6 292 1.020 15.228 -33.544 32.652 -99.200 -91.000 TRP 293 1.040 10.971 -33.241 26.456 -99.200 -91.000 TRP6 293 1.020 9.374 -34.465 25.203 -99.200 -91.000 TRP 301 1.040 -2.346 -34.639 34.660 -99.200 -91.000 TRP6 301 1.020 -1.153 -34.910 36.682 -99.200 -91.000 TYR 302 0.840 -1.193 -29.295 38.450 -99.200 -91.000 PHE 336 1.000 8.696 -19.340 42.347 -99.200 -91.000 PHE 338 1.000 13.495 -23.870 39.705 -99.200 -91.000 TYR 348 0.840 8.179 -20.027 31.842 -99.200 -91.000 HIS 349 0.900 8.454 -14.941 38.666 -99.200 -91.000 PHE 356 1.000 -0.180 -21.802 25.182 -99.200 -91.000