============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 27 1.000 26.537 -12.300 25.815 -99.200 -91.000 TYR 30 0.840 28.668 -7.363 17.037 -99.200 -91.000 TRP 34 1.040 19.699 -4.791 29.524 -99.200 -91.000 TRP6 34 1.020 17.930 -6.283 29.114 -99.200 -91.000 TRP 45 1.040 21.868 3.392 26.848 -99.200 -91.000 TRP6 45 1.020 23.613 3.513 28.458 -99.200 -91.000 PHE 53 1.000 36.544 -4.928 26.591 -99.200 -91.000 TYR 58 0.840 24.819 -0.089 35.896 -99.200 -91.000 PHE 62 1.000 16.691 4.088 34.930 -99.200 -91.000 TYR 78 0.840 20.804 -13.380 33.245 -99.200 -91.000 TYR 91 0.840 11.932 -2.118 32.066 -99.200 -91.000 TYR 92 0.840 11.607 -2.350 23.070 -99.200 -91.000 TYR 105 0.840 20.739 -7.821 13.686 -99.200 -91.000 TRP 106 1.040 16.944 -2.023 18.501 -99.200 -91.000 TRP6 106 1.020 16.755 -0.575 20.363 -99.200 -91.000 PHE 125 1.000 -19.749 -5.047 32.086 -99.200 -91.000 TYR 140 0.840 -7.563 -5.365 30.244 -99.200 -91.000 PHE 141 1.000 -2.104 -5.905 37.145 -99.200 -91.000 TRP 149 1.040 -15.091 -6.445 16.820 -99.200 -91.000 TRP6 149 1.020 -17.181 -6.049 17.855 -99.200 -91.000 HIS 159 0.900 -11.897 2.881 13.834 -99.200 -91.000 PHE 161 1.000 -11.426 3.628 20.099 -99.200 -91.000 TYR 171 0.840 -3.625 -1.755 32.567 -99.200 -91.000 TYR 186 0.840 -22.564 -7.307 13.010 -99.200 -91.000 HIS 192 0.900 -5.957 -10.516 31.027 -99.200 -91.000