============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 27 0.840 68.551 7.693 12.560 -99.200 -91.000 PHE 29 1.000 62.577 5.090 14.224 -99.200 -91.000 TYR 32 0.840 72.060 3.508 12.779 -99.200 -91.000 TYR 33 0.840 70.963 -0.519 20.433 -99.200 -91.000 TRP 36 1.040 63.303 7.760 24.961 -99.200 -91.000 TRP6 36 1.020 62.007 9.617 24.298 -99.200 -91.000 TRP 47 1.040 70.183 5.424 29.609 -99.200 -91.000 TRP6 47 1.020 69.708 3.255 30.398 -99.200 -91.000 TRP 50 1.040 69.563 0.688 25.493 -99.200 -91.000 TRP6 50 1.020 68.616 -1.356 24.762 -99.200 -91.000 PHE 52 1.000 68.188 -2.221 16.945 -99.200 -91.000 TYR 60 0.840 61.686 0.569 29.940 -99.200 -91.000 PHE 64 1.000 63.980 7.641 35.564 -99.200 -91.000 PHE 80 1.000 55.083 8.406 19.498 -99.200 -91.000 TYR 93 0.840 61.030 13.522 31.383 -99.200 -91.000 PHE 94 1.000 67.905 17.212 26.714 -99.200 -91.000 TYR 101 0.840 82.163 6.843 17.199 -99.200 -91.000 TYR 105 0.840 73.885 12.703 14.706 -99.200 -91.000 TRP 106 1.040 72.619 14.164 23.045 -99.200 -91.000 TRP6 106 1.020 71.918 13.805 25.268 -99.200 -91.000 TYR 125 0.840 52.222 43.818 43.128 -99.200 -91.000 TYR 146 0.840 55.282 33.966 36.455 -99.200 -91.000 PHE 147 1.000 51.166 26.505 37.017 -99.200 -91.000 TRP 155 1.040 63.460 46.506 32.234 -99.200 -91.000 TRP6 155 1.020 62.316 47.464 34.066 -99.200 -91.000 HIS 165 0.900 72.075 41.931 35.902 -99.200 -91.000 PHE 167 1.000 67.909 39.422 39.565 -99.200 -91.000 TYR 176 0.840 56.699 28.422 38.103 -99.200 -91.000 TRP 189 1.040 62.960 56.945 36.749 -99.200 -91.000 TRP6 189 1.020 63.055 57.034 39.111 -99.200 -91.000 HIS 200 0.900 51.298 33.926 32.562 -99.200 -91.000