============================================================================= 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. HIS 8 0.900 -22.082 7.296 57.693 -99.200 -91.000 TYR 16 0.840 -19.191 3.807 41.730 -99.200 -91.000 TRP 22 1.040 -13.647 8.173 52.705 -99.200 -91.000 TRP6 22 1.020 -15.906 7.659 52.201 -99.200 -91.000 HIS 23 0.900 -5.438 7.827 51.236 -99.200 -91.000 HIS 30 0.900 -11.544 5.820 64.638 -99.200 -91.000 PHE 47 1.000 -8.775 -11.258 52.955 -99.200 -91.000 PHE 68 1.000 -11.587 -16.215 51.660 -99.200 -91.000 HIS 69 0.900 -6.308 -21.811 52.662 -99.200 -91.000 HIS 70 0.900 -4.673 -14.706 53.268 -99.200 -91.000 HIS 88 0.900 -13.913 -3.977 71.426 -99.200 -91.000 PHE 90 1.000 -13.192 -3.012 67.279 -99.200 -91.000 PHE 92 1.000 -12.029 -3.395 58.544 -99.200 -91.000 TYR 98 0.840 -20.570 -2.038 58.193 -99.200 -91.000 TYR 109 0.840 -15.447 2.194 68.879 -99.200 -91.000 PHE 117 1.000 -16.633 11.826 48.181 -99.200 -91.000 PHE 122 1.000 -26.423 3.904 49.115 -99.200 -91.000 PHE 123 1.000 -23.642 1.751 59.427 -99.200 -91.000 TYR 126 0.840 -25.971 6.146 62.072 -99.200 -91.000 PHE 128 1.000 -29.567 12.783 66.529 -99.200 -91.000 TRP 131 1.040 -27.922 3.396 67.189 -99.200 -91.000 TRP6 131 1.020 -26.479 1.683 67.994 -99.200 -91.000 HIS 149 0.900 -11.291 13.687 59.222 -99.200 -91.000 PHE 151 1.000 -11.750 10.063 63.490 -99.200 -91.000 HIS 153 0.900 -17.737 4.376 71.825 -99.200 -91.000