============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TRP 23 1.040 -38.268 -1.396 15.385 -99.200 -91.000 TRP6 23 1.020 -39.953 0.012 14.510 -99.200 -91.000 TRP 25 1.040 -42.856 -5.470 12.377 -99.200 -91.000 TRP6 25 1.020 -44.161 -3.967 13.651 -99.200 -91.000 PHE 35 1.000 -23.893 -16.514 8.237 -99.200 -91.000 HIS 36 0.900 -29.769 -11.912 10.044 -99.200 -91.000 PHE 37 1.000 -31.090 -17.282 5.277 -99.200 -91.000 TRP 47 1.040 -49.207 -18.329 6.771 -99.200 -91.000 TRP6 47 1.020 -48.608 -19.242 4.672 -99.200 -91.000 HIS 53 0.900 -32.890 -10.626 -2.143 -99.200 -91.000 PHE 67 1.000 -31.559 -4.969 21.397 -99.200 -91.000 PHE 85 1.000 -46.872 -22.007 0.496 -99.200 -91.000 TYR 90 0.840 -36.703 -13.348 -7.473 -99.200 -91.000 PHE 110 1.000 -48.436 -12.924 16.837 -99.200 -91.000 PHE 126 1.000 -48.779 2.785 2.536 -99.200 -91.000 TRP 137 1.040 -30.222 -8.221 14.444 -99.200 -91.000 TRP6 137 1.020 -32.408 -9.118 14.332 -99.200 -91.000 TYR 142 0.840 -19.253 -2.584 0.490 -99.200 -91.000 TYR 165 0.840 -27.739 5.892 -8.528 -99.200 -91.000 TRP 166 1.040 -31.348 2.625 -8.028 -99.200 -91.000 TRP6 166 1.020 -29.302 1.439 -8.130 -99.200 -91.000 TRP 201 1.040 -45.125 1.351 13.797 -99.200 -91.000 TRP6 201 1.020 -43.743 2.936 12.716 -99.200 -91.000 TRP 209 1.040 -33.185 -4.103 -6.505 -99.200 -91.000 TRP6 209 1.020 -32.280 -2.346 -7.813 -99.200 -91.000 TYR 222 0.840 -36.428 -0.526 1.117 -99.200 -91.000 TRP 231 1.040 -48.088 -14.676 -4.679 -99.200 -91.000 TRP6 231 1.020 -46.542 -14.676 -2.890 -99.200 -91.000