============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TRP 6 1.040 14.235 18.393 127.899 -99.200 -91.000 TRP6 6 1.020 12.356 17.484 128.959 -99.200 -91.000 TYR 22 0.840 19.815 7.846 131.022 -99.200 -91.000 PHE 26 1.000 19.498 -3.781 134.282 -99.200 -91.000 PHE 29 1.000 25.301 -7.274 124.799 -99.200 -91.000 TYR 34 0.840 12.405 -5.677 115.504 -99.200 -91.000 HIS 44 0.900 23.793 10.217 113.680 -99.200 -91.000 PHE 47 1.000 21.215 5.166 115.196 -99.200 -91.000 TYR 55 0.840 10.848 -5.256 102.352 -99.200 -91.000 PHE 57 1.000 7.061 -3.928 104.719 -99.200 -91.000 HIS 70 0.900 9.029 11.288 113.235 -99.200 -91.000 HIS 73 0.900 14.930 13.921 117.038 -99.200 -91.000 TYR 83 0.840 23.087 14.234 121.874 -99.200 -91.000 TRP 114 1.040 9.773 -7.422 107.867 -99.200 -91.000 TRP6 114 1.020 11.438 -6.806 109.446 -99.200 -91.000 PHE 151 1.000 3.879 -3.159 117.513 -99.200 -91.000 PHE 188 1.000 3.901 19.034 121.337 -99.200 -91.000 TRP 191 1.040 -6.279 16.310 125.572 -99.200 -91.000 TRP6 191 1.020 -8.540 15.816 126.036 -99.200 -91.000 PHE 198 1.000 0.997 13.198 130.425 -99.200 -91.000 TRP 208 1.040 17.750 16.077 110.346 -99.200 -91.000 TRP6 208 1.020 15.532 15.796 111.126 -99.200 -91.000 TYR 209 0.840 17.842 14.058 105.940 -99.200 -91.000 TYR 213 0.840 24.376 14.606 116.638 -99.200 -91.000 HIS 225 0.900 12.873 10.864 125.621 -99.200 -91.000 TYR 233 0.840 11.235 -0.651 132.872 -99.200 -91.000 TYR 270 0.840 12.490 6.295 138.549 -99.200 -91.000