============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. TYR 4 0.840 -12.896 5.033 2.320 -99.200 -91.000 TYR 6 0.840 -12.177 14.866 -0.701 -99.200 -91.000 TRP 8 1.040 -9.800 19.519 -8.321 -99.200 -91.000 TRP6 8 1.020 -10.526 21.771 -8.121 -99.200 -91.000 TYR 10 0.840 -18.823 15.777 -13.305 -99.200 -91.000 TYR 11 0.840 -8.236 16.739 -12.729 -99.200 -91.000 PHE 20 1.000 -7.199 0.623 -8.807 -99.200 -91.000 TYR 24 0.840 -4.812 -3.556 -9.762 -99.200 -91.000 TYR 30 0.840 -13.970 10.834 -8.138 -99.200 -91.000 TYR 33 0.840 -10.828 17.905 -3.993 -99.200 -91.000 PHE 40 1.000 -5.226 22.887 4.356 -99.200 -91.000 TYR 50 0.840 -11.627 11.249 1.480 -99.200 -91.000 PHE 59 1.000 -4.673 24.806 -1.621 -99.200 -91.000 HIS 67 0.900 5.687 18.776 9.204 -99.200 -91.000 PHE 82 1.000 5.460 4.677 -18.996 -99.200 -91.000 TYR 93 0.840 4.872 20.682 -6.781 -99.200 -91.000 TYR 99 0.840 6.694 14.263 2.005 -99.200 -91.000 TYR 103 0.840 -5.260 13.263 -11.771 -99.200 -91.000 TYR 104 0.840 -3.712 18.121 -17.940 -99.200 -91.000 TYR 120 0.840 -9.973 37.063 -31.388 -99.200 -91.000 TRP 124 1.040 -3.519 36.892 -19.658 -99.200 -91.000 TRP6 124 1.020 -5.201 35.349 -19.016 -99.200 -91.000 PHE 127 1.000 -10.895 38.425 -19.979 -99.200 -91.000 TYR 134 0.840 -21.570 46.583 -18.459 -99.200 -91.000 TYR 155 0.840 5.309 44.033 -11.962 -99.200 -91.000 HIS 175 0.900 -6.711 50.127 -16.292 -99.200 -91.000 TRP 176 1.040 -7.918 43.385 -17.446 -99.200 -91.000 TRP6 176 1.020 -6.430 41.703 -16.689 -99.200 -91.000 PHE 183 1.000 -13.885 39.212 -10.779 -99.200 -91.000 TYR 188 0.840 -15.686 28.827 -17.220 -99.200 -91.000 PHE 192 1.000 -17.418 31.116 -25.660 -99.200 -91.000 PHE 197 1.000 -20.735 35.190 -18.989 -99.200 -91.000 HIS 201 0.900 -9.219 33.579 -16.415 -99.200 -91.000 PHE 203 1.000 -9.513 25.461 -15.443 -99.200 -91.000 PHE 207 1.000 -14.411 28.808 -22.088 -99.200 -91.000 PHE 208 1.000 -12.922 24.027 -27.583 -99.200 -91.000 HIS 216 0.900 -16.592 21.716 -29.975 -99.200 -91.000 HIS 218 0.900 -18.984 29.380 -36.179 -99.200 -91.000 PHE 221 1.000 -8.569 27.538 -23.991 -99.200 -91.000 PHE 222 1.000 -6.941 33.928 -26.988 -99.200 -91.000 TYR 232 0.840 -4.340 23.175 -14.311 -99.200 -91.000 PHE 236 1.000 -2.990 10.040 -9.132 -99.200 -91.000 HIS 249 0.900 2.392 3.743 -2.536 -99.200 -91.000 PHE 251 1.000 -6.903 5.447 -9.564 -99.200 -91.000 PHE 254 1.000 -6.193 1.446 -14.036 -99.200 -91.000 PHE 255 1.000 -5.019 9.360 -13.911 -99.200 -91.000 HIS 260 0.900 -5.385 1.400 -18.434 -99.200 -91.000 TYR 261 0.840 -1.645 11.091 -18.065 -99.200 -91.000 PHE 264 1.000 -6.444 12.979 -16.826 -99.200 -91.000 PHE 268 1.000 -11.514 15.497 -18.045 -99.200 -91.000 PHE 270 1.000 -7.309 17.972 -19.448 -99.200 -91.000 HIS 275 0.900 2.272 8.672 -19.776 -99.200 -91.000 TYR 281 0.840 0.193 3.751 -25.802 -99.200 -91.000 TYR 287 0.840 -11.262 20.412 -26.842 -99.200 -91.000 TYR 288 0.840 -