============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 11 1.000 8.065 -40.945 24.062 -99.200 -91.000 HIS 41 0.900 19.877 -29.622 30.998 -99.200 -91.000 HIS 45 0.900 12.980 -31.423 28.545 -99.200 -91.000 TRP 51 1.040 10.526 -30.583 24.829 -99.200 -91.000 TRP6 51 1.020 12.609 -30.542 23.733 -99.200 -91.000 PHE 59 1.000 14.248 -41.522 21.106 -99.200 -91.000 HIS 63 0.900 21.193 -33.200 20.780 -99.200 -91.000 PHE 68 1.000 39.366 -41.355 14.850 -99.200 -91.000 HIS 78 0.900 35.570 -32.896 -2.051 -99.200 -91.000 TRP 89 1.040 18.430 -29.886 17.050 -99.200 -91.000 TRP6 89 1.020 17.266 -31.511 18.305 -99.200 -91.000 TYR 91 0.840 20.753 -37.713 10.018 -99.200 -91.000 HIS 96 0.900 12.981 -28.032 -1.392 -99.200 -91.000 HIS 99 0.900 12.975 -20.360 7.090 -99.200 -91.000 TRP 104 1.040 19.336 -16.950 8.459 -99.200 -91.000 TRP6 104 1.020 19.719 -16.672 10.791 -99.200 -91.000 TYR 116 0.840 12.853 -34.825 19.885 -99.200 -91.000 PHE 122 1.000 22.651 -40.244 24.694 -99.200 -91.000 TYR 125 0.840 30.688 -48.914 14.553 -99.200 -91.000 PHE 132 1.000 22.492 -30.619 6.201 -99.200 -91.000 HIS 135 0.900 33.771 -31.918 7.608 -99.200 -91.000 PHE 142 1.000 37.575 -38.289 18.402 -99.200 -91.000 TYR 156 0.840 30.312 -18.211 17.256 -99.200 -91.000 TRP 169 1.040 29.926 -3.282 30.494 -99.200 -91.000 TRP6 169 1.020 31.134 -4.741 31.918 -99.200 -91.000 HIS 180 0.900 31.544 -24.705 30.882 -99.200 -91.000 TYR 185 0.840 32.133 -20.324 21.898 -99.200 -91.000 TYR 226 0.840 26.703 -5.531 41.492 -99.200 -91.000 PHE 248 1.000 11.434 -13.631 29.811 -99.200 -91.000 PHE 271 1.000 9.473 -18.727 31.076 -99.200 -91.000 PHE 276 1.000 4.347 1.486 30.435 -99.200 -91.000 PHE 302 1.000 35.595 -17.795 18.191 -99.200 -91.000 PHE 324 1.000 19.006 -38.987 29.978 -99.200 -91.000