============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TRP 14 1.040 -7.180 25.751 -18.909 -99.200 -91.000 TRP6 14 1.020 -5.191 27.028 -19.061 -99.200 -91.000 HIS 42 0.900 7.113 11.327 -11.935 -99.200 -91.000 TRP 45 1.040 -3.114 12.276 -14.134 -99.200 -91.000 TRP6 45 1.020 -2.131 14.134 -15.241 -99.200 -91.000 HIS 53 0.900 -8.510 24.050 -2.465 -99.200 -91.000 HIS 59 0.900 8.518 22.295 -12.768 -99.200 -91.000 TRP 90 1.040 18.908 33.552 -4.038 -99.200 -91.000 TRP6 90 1.020 20.613 32.022 -4.596 -99.200 -91.000 TYR 99 0.840 23.865 21.432 0.274 -99.200 -91.000 HIS 102 0.900 17.413 20.825 -0.775 -99.200 -91.000 TRP 110 1.040 9.868 22.409 -7.863 -99.200 -91.000 TRP6 110 1.020 9.414 20.083 -7.682 -99.200 -91.000 PHE 112 1.000 7.866 29.953 -10.390 -99.200 -91.000 PHE 115 1.000 6.898 25.647 -1.525 -99.200 -91.000 PHE 120 1.000 2.488 24.684 -17.481 -99.200 -91.000 PHE 124 1.000 5.614 33.288 -14.579 -99.200 -91.000 HIS 125 0.900 5.282 36.676 -5.996 -99.200 -91.000 PHE 156 1.000 24.894 21.151 -18.888 -99.200 -91.000 HIS 157 0.900 23.001 19.801 -8.763 -99.200 -91.000 HIS 188 0.900 29.147 21.056 -22.788 -99.200 -91.000 PHE 195 1.000 29.669 2.149 -21.541 -99.200 -91.000 HIS 202 0.900 13.442 10.299 -34.169 -99.200 -91.000 TYR 210 0.840 22.254 17.337 -26.690 -99.200 -91.000 TYR 218 0.840 13.927 -2.492 -22.303 -99.200 -91.000 HIS 247 0.900 12.762 -1.849 -7.524 -99.200 -91.000 PHE 249 1.000 18.909 6.118 -6.514 -99.200 -91.000 TYR 267 0.840 8.714 14.260 -8.191 -99.200 -91.000 TRP 281 1.040 27.053 1.737 -1.122 -99.200 -91.000 TRP6 281 1.020 26.876 2.573 1.097 -99.200 -91.000 HIS 287 0.900 36.023 5.208 0.854 -99.200 -91.000 HIS 289 0.900 32.079 8.970 -1.671 -99.200 -91.000 HIS 291 0.900 27.372 12.559 -4.109 -99.200 -91.000 HIS 322 0.900 5.205 16.409 -29.920 -99.200 -91.000 PHE 324 1.000 1.280 21.302 -28.433 -99.200 -91.000 HIS 352 0.900 4.027 34.648 -30.837 -99.200 -91.000 TYR 353 0.840 1.732 38.008 -23.804 -99.200 -91.000 HIS 360 0.900 6.783 52.441 -22.730 -99.200 -91.000