============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 11 1.000 21.520 36.476 10.065 -99.200 -91.000 TRP 15 1.040 25.058 37.277 5.427 -99.200 -91.000 TRP6 15 1.020 22.940 38.353 5.175 -99.200 -91.000 PHE 23 1.000 15.934 46.362 3.816 -99.200 -91.000 HIS 24 0.900 19.657 50.556 5.014 -99.200 -91.000 HIS 27 0.900 13.042 47.641 -0.441 -99.200 -91.000 HIS 46 0.900 11.944 38.412 17.422 -99.200 -91.000 HIS 55 0.900 6.988 17.521 14.370 -99.200 -91.000 TYR 56 0.840 11.566 24.527 15.152 -99.200 -91.000 TYR 58 0.840 1.772 30.079 14.046 -99.200 -91.000 HIS 79 0.900 50.967 19.233 12.527 -99.200 -91.000 TYR 80 0.840 47.688 24.686 13.035 -99.200 -91.000 PHE 82 1.000 39.852 20.072 16.215 -99.200 -91.000 TRP 92 1.040 35.560 21.612 17.842 -99.200 -91.000 TRP6 92 1.020 36.453 22.149 15.718 -99.200 -91.000 PHE 95 1.000 35.808 19.222 10.915 -99.200 -91.000 TYR 102 0.840 37.415 19.668 22.672 -99.200 -91.000 HIS 103 0.900 42.633 28.565 23.513 -99.200 -91.000 PHE 107 1.000 35.819 31.994 22.862 -99.200 -91.000 HIS 109 0.900 26.888 34.475 22.083 -99.200 -91.000 PHE 110 1.000 28.485 29.340 15.039 -99.200 -91.000 TYR 111 0.840 30.391 38.179 19.298 -99.200 -91.000 PHE 128 1.000 24.683 32.431 7.440 -99.200 -91.000 PHE 131 1.000 33.397 42.067 3.442 -99.200 -91.000 HIS 140 0.900 36.369 26.016 3.674 -99.200 -91.000 HIS 147 0.900 22.946 19.399 7.230 -99.200 -91.000 TYR 150 0.840 21.354 23.601 16.485 -99.200 -91.000 TYR 152 0.840 21.937 30.415 11.168 -99.200 -91.000 TYR 153 0.840 14.105 26.919 11.420 -99.200 -91.000 PHE 159 1.000 4.290 43.120 17.211 -99.200 -91.000 PHE 169 1.000 16.125 42.733 7.338 -99.200 -91.000 HIS 170 0.900 10.723 36.135 5.798 -99.200 -91.000 TRP 172 1.040 18.452 42.206 1.111 -99.200 -91.000 TRP6 172 1.020 19.581 42.107 3.180 -99.200 -91.000