============================================================================= 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 4 0.900 -26.799 65.920 -10.506 -99.200 -91.000 HIS 12 0.900 -40.703 59.459 -27.976 -99.200 -91.000 TRP 19 1.040 -29.125 66.297 -19.254 -99.200 -91.000 TRP6 19 1.020 -29.772 66.998 -21.427 -99.200 -91.000 PHE 20 1.000 -19.785 63.675 -18.925 -99.200 -91.000 PHE 25 1.000 -11.661 53.866 -26.816 -99.200 -91.000 HIS 43 0.900 -15.096 60.839 -10.579 -99.200 -91.000 TYR 45 0.840 -18.115 59.143 -16.328 -99.200 -91.000 TYR 54 0.840 -17.321 49.917 -30.314 -99.200 -91.000 PHE 79 1.000 -30.508 55.096 -20.437 -99.200 -91.000 TRP 85 1.040 -21.371 45.194 -37.524 -99.200 -91.000 TRP6 85 1.020 -20.684 47.431 -38.005 -99.200 -91.000 TYR 91 0.840 -39.404 40.701 -36.005 -99.200 -91.000 PHE 98 1.000 -32.514 42.816 -25.937 -99.200 -91.000 TYR 109 0.840 -33.241 46.565 -16.786 -99.200 -91.000 TYR 113 0.840 -30.130 46.356 -29.206 -99.200 -91.000 HIS 116 0.900 -22.653 51.278 -34.406 -99.200 -91.000 TRP 117 1.040 -22.648 52.763 -38.728 -99.200 -91.000 TRP6 117 1.020 -21.987 54.930 -39.438 -99.200 -91.000 TYR 123 0.840 -33.363 52.581 -42.419 -99.200 -91.000 TRP 127 1.040 -38.227 51.531 -35.414 -99.200 -91.000 TRP6 127 1.020 -36.903 52.455 -33.682 -99.200 -91.000 TYR 134 0.840 -40.603 50.951 -25.798 -99.200 -91.000 PHE 147 1.000 -31.609 55.476 -38.706 -99.200 -91.000 HIS 150 0.900 -31.792 60.355 -46.360 -99.200 -91.000 HIS 151 0.900 -30.205 57.777 -43.550 -99.200 -91.000 PHE 170 1.000 -23.203 68.909 -31.227 -99.200 -91.000 HIS 171 0.900 -16.759 67.449 -34.891 -99.200 -91.000 TYR 182 0.840 -36.802 65.440 -38.739 -99.200 -91.000 TRP 193 1.040 -19.027 57.739 -32.282 -99.200 -91.000 TRP6 193 1.020 -18.565 58.669 -34.385 -99.200 -91.000 HIS 204 0.900 -10.046 76.829 -32.982 -99.200 -91.000 TYR 214 0.840 -15.682 80.336 -18.413 -99.200 -91.000 TRP 225 1.040 -20.464 74.245 -28.166 -99.200 -91.000 TRP6 225 1.020 -20.377 72.462 -29.703 -99.200 -91.000 HIS 229 0.900 -25.103 74.103 -29.189 -99.200 -91.000 HIS 241 0.900 -5.651 63.308 -14.491 -99.200 -91.000 PHE 250 1.000 -21.661 68.018 -14.804 -99.200 -91.000 PHE 252 1.000 -16.938 75.183 -17.491 -99.200 -91.000 PHE 278 1.000 -23.474 53.228 -43.999 -99.200 -91.000 PHE 280 1.000 -19.072 51.713 -42.285 -99.200 -91.000