============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TYR 14 0.840 34.203 55.718 -35.558 -99.200 -91.000 PHE 17 1.000 35.871 56.014 -30.213 -99.200 -91.000 TYR 22 0.840 32.294 57.112 -26.812 -99.200 -91.000 TYR 27 0.840 28.876 56.366 -21.764 -99.200 -91.000 TRP 43 1.040 14.893 58.571 -21.170 -99.200 -91.000 TRP6 43 1.020 16.027 57.893 -23.130 -99.200 -91.000 PHE 52 1.000 17.022 43.556 -21.222 -99.200 -91.000 TYR 72 0.840 25.486 52.563 -21.648 -99.200 -91.000 HIS 80 0.900 15.991 39.457 -17.889 -99.200 -91.000 PHE 81 1.000 18.825 37.785 -23.698 -99.200 -91.000 PHE 89 1.000 36.219 49.579 -38.113 -99.200 -91.000 TRP 100 1.040 34.233 46.687 -16.150 -99.200 -91.000 TRP6 100 1.020 32.574 45.016 -16.346 -99.200 -91.000 PHE 108 1.000 34.328 55.075 -17.261 -99.200 -91.000 TRP 110 1.040 31.981 50.681 -17.295 -99.200 -91.000 TRP6 110 1.020 30.810 52.308 -18.553 -99.200 -91.000 TYR 113 0.840 27.300 54.653 -15.840 -99.200 -91.000 HIS 116 0.900 20.443 55.016 -11.104 -99.200 -91.000 TRP 127 1.040 28.306 47.918 -5.969 -99.200 -91.000 TRP6 127 1.020 30.540 47.644 -6.710 -99.200 -91.000 HIS 147 0.900 29.599 50.986 -42.561 -99.200 -91.000 PHE 169 1.000 24.241 56.971 -27.354 -99.200 -91.000 PHE 181 1.000 20.044 54.432 -38.707 -99.200 -91.000 HIS 187 0.900 24.873 45.432 -44.242 -99.200 -91.000 HIS 197 0.900 11.418 40.650 -28.211 -99.200 -91.000 TRP 208 1.040 29.689 68.766 -34.098 -99.200 -91.000 TRP6 208 1.020 30.787 69.029 -32.016 -99.200 -91.000 TYR 209 0.840 31.366 60.451 -31.827 -99.200 -91.000 TYR 235 0.840 14.327 44.807 -36.320 -99.200 -91.000 TYR 243 0.840 17.296 62.944 -21.476 -99.200 -91.000 HIS 248 0.900 21.687 69.442 -16.903 -99.200 -91.000 PHE 260 1.000 17.629 56.053 -31.715 -99.200 -91.000 PHE 261 1.000 14.833 51.369 -24.931 -99.200 -91.000 TRP 263 1.040 10.975 45.599 -27.001 -99.200 -91.000 TRP6 263 1.020 9.263 45.370 -25.396 -99.200 -91.000