============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 11 1.040 -26.512 14.162 -3.071 -99.200 -91.000 TRP6 11 1.020 -25.863 15.118 -5.133 -99.200 -91.000 TYR 29 0.840 -9.266 -10.481 9.901 -99.200 -91.000 TYR 33 0.840 -16.989 2.663 8.022 -99.200 -91.000 HIS 37 0.900 -32.455 -2.443 11.176 -99.200 -91.000 HIS 41 0.900 -23.855 -6.753 -1.152 -99.200 -91.000 HIS 53 0.900 -32.033 -4.584 3.955 -99.200 -91.000 TYR 109 0.840 -36.422 0.720 24.315 -99.200 -91.000 HIS 110 0.900 -33.764 2.077 20.990 -99.200 -91.000 TYR 137 0.840 -26.123 5.817 15.187 -99.200 -91.000 PHE 152 1.000 -20.450 -10.582 27.390 -99.200 -91.000 PHE 157 1.000 -30.699 -6.212 28.524 -99.200 -91.000 TYR 167 0.840 -36.293 9.661 28.622 -99.200 -91.000 HIS 168 0.900 -36.533 6.035 25.088 -99.200 -91.000 PHE 170 1.000 -43.737 11.581 31.292 -99.200 -91.000 TYR 175 0.840 -43.910 15.523 22.703 -99.200 -91.000 TYR 176 0.840 -43.284 11.503 20.290 -99.200 -91.000 TYR 183 0.840 -38.757 -4.694 32.108 -99.200 -91.000 PHE 217 1.000 -4.116 -8.037 0.738 -99.200 -91.000 PHE 220 1.000 -11.655 -0.917 8.145 -99.200 -91.000 HIS 232 0.900 -18.028 17.102 7.918 -99.200 -91.000 TYR 235 0.840 -28.670 20.431 9.556 -99.200 -91.000 TYR 237 0.840 -33.371 19.311 2.196 -99.200 -91.000 TYR 258 0.840 -1.922 2.189 12.542 -99.200 -91.000 TYR 261 0.840 -7.398 2.682 -3.332 -99.200 -91.000 TYR 269 0.840 -26.761 7.975 -14.253 -99.200 -91.000 PHE 278 1.000 -29.762 15.707 -8.665 -99.200 -91.000 PHE 283 1.000 -36.104 20.136 -12.993 -99.200 -91.000 PHE 289 1.000 -30.981 7.918 -23.424 -99.200 -91.000 PHE 297 1.000 -37.691 2.361 -14.247 -99.200 -91.000 TRP 309 1.040 -26.289 17.032 -17.947 -99.200 -91.000 TRP6 309 1.020 -26.095 15.225 -19.472 -99.200 -91.000 PHE 327 1.000 -13.455 9.848 -8.247 -99.200 -91.000 TYR 347 0.840 -22.526 23.781 -7.393 -99.200 -91.000 TRP 365 1.040 -26.510 24.461 -1.111 -99.200 -91.000 TRP6 365 1.020 -25.326 22.955 -2.504 -99.200 -91.000 TYR 372 0.840 -24.680 21.350 -16.609 -99.200 -91.000 TRP 378 1.040 -20.241 6.606 -25.437 -99.200 -91.000 TRP6 378 1.020 -19.582 8.176 -23.791 -99.200 -91.000 PHE 383 1.000 -24.329 -4.531 -20.028 -99.200 -91.000 TYR 398 0.840 -18.422 11.582 -18.730 -99.200 -91.000 PHE 429 1.000 -7.952 -5.456 -0.558 -99.200 -91.000