============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 16 0.840 -71.936 19.812 -0.448 -99.200 -91.000 PHE 21 1.000 -72.425 19.569 -5.780 -99.200 -91.000 TYR 26 0.840 -69.329 24.095 -8.526 -99.200 -91.000 TYR 36 0.840 -60.931 26.843 8.924 -99.200 -91.000 TRP 38 1.040 -63.723 24.104 1.022 -99.200 -91.000 TRP6 38 1.020 -65.682 25.174 0.261 -99.200 -91.000 HIS 52 0.900 -66.555 21.278 -23.839 -99.200 -91.000 PHE 66 1.000 -60.392 15.370 -12.316 -99.200 -91.000 PHE 71 1.000 -61.660 27.715 -4.487 -99.200 -91.000 PHE 73 1.000 -62.087 28.611 1.332 -99.200 -91.000 PHE 77 1.000 -63.649 33.122 3.181 -99.200 -91.000 PHE 79 1.000 -61.417 38.896 9.173 -99.200 -91.000 PHE 83 1.000 -52.123 30.793 -2.883 -99.200 -91.000 TYR 95 0.840 -56.409 36.819 -17.812 -99.200 -91.000 TRP 112 1.040 -62.175 38.575 -0.952 -99.200 -91.000 TRP6 112 1.020 -63.347 36.683 -1.735 -99.200 -91.000 TYR 116 0.840 -67.565 39.769 -5.382 -99.200 -91.000 PHE 138 1.000 -52.614 17.662 -23.845 -99.200 -91.000 TYR 145 0.840 -49.738 24.410 -13.054 -99.200 -91.000 TYR 154 0.840 -51.310 36.321 -3.776 -99.200 -91.000 HIS 161 0.900 -50.448 44.520 -10.165 -99.200 -91.000