============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TRP 15 1.040 -14.218 13.426 35.560 -99.200 -91.000 TRP6 15 1.020 -15.506 11.636 36.424 -99.200 -91.000 PHE 21 1.000 -5.577 13.992 30.433 -99.200 -91.000 HIS 34 0.900 -5.455 -16.772 33.190 -99.200 -91.000 HIS 51 0.900 -4.124 12.142 17.735 -99.200 -91.000 HIS 67 0.900 -0.719 5.599 24.354 -99.200 -91.000 PHE 93 1.000 0.137 0.805 21.427 -99.200 -91.000 HIS 105 0.900 1.134 -13.520 8.439 -99.200 -91.000 PHE 110 1.000 -4.901 -3.634 15.204 -99.200 -91.000 PHE 130 1.000 -8.433 2.062 36.071 -99.200 -91.000 HIS 138 0.900 -16.001 3.780 29.427 -99.200 -91.000 HIS 139 0.900 -9.500 -0.917 32.703 -99.200 -91.000 PHE 140 1.000 -6.291 5.338 25.029 -99.200 -91.000 PHE 146 1.000 -1.769 9.860 30.640 -99.200 -91.000 TYR 149 0.840 -0.663 1.046 43.255 -99.200 -91.000 PHE 176 1.000 13.338 3.218 19.936 -99.200 -91.000 TYR 180 0.840 15.226 1.296 15.824 -99.200 -91.000 PHE 198 1.000 5.775 14.258 4.198 -99.200 -91.000 PHE 229 1.000 12.552 22.155 10.117 -99.200 -91.000 TYR 246 0.840 10.221 24.489 0.048 -99.200 -91.000 PHE 264 1.000 12.521 2.393 1.754 -99.200 -91.000 PHE 266 1.000 9.376 5.780 7.048 -99.200 -91.000 TYR 286 0.840 12.565 3.241 -7.323 -99.200 -91.000 TRP 314 1.040 -0.370 4.961 1.383 -99.200 -91.000 TRP6 314 1.020 -2.415 5.832 0.649 -99.200 -91.000 PHE 319 1.000 4.747 -1.515 20.400 -99.200 -91.000 PHE 322 1.000 9.661 -3.495 16.791 -99.200 -91.000 PHE 335 1.000 17.836 2.885 26.969 -99.200 -91.000 PHE 340 1.000 16.543 1.309 21.416 -99.200 -91.000 HIS 348 0.900 9.858 20.112 28.107 -99.200 -91.000 PHE 352 1.000 -0.480 10.932 37.416 -99.200 -91.000 PHE 359 1.000 -1.834 14.997 27.791 -99.200 -91.000 PHE 374 1.000 2.425 7.609 37.571 -99.200 -91.000