============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 9 1.040 23.310 0.814 1.338 -99.200 -91.000 TRP6 9 1.020 23.058 -0.856 2.990 -99.200 -91.000 TYR 10 0.840 26.156 -3.455 -4.991 -99.200 -91.000 PHE 17 1.000 20.232 3.471 -1.317 -99.200 -91.000 TYR 31 0.840 17.507 3.355 -7.456 -99.200 -91.000 TYR 42 0.840 16.858 8.433 -13.802 -99.200 -91.000 TYR 48 0.840 20.630 9.588 9.040 -99.200 -91.000 TRP 63 1.040 15.708 6.266 -1.517 -99.200 -91.000 TRP6 63 1.020 15.940 4.413 -0.073 -99.200 -91.000 TRP 67 1.040 11.393 7.081 -11.442 -99.200 -91.000 TRP6 67 1.020 13.380 5.892 -10.972 -99.200 -91.000 TYR 71 0.840 22.477 11.494 -20.730 -99.200 -91.000 HIS 75 0.900 6.767 13.484 -18.733 -99.200 -91.000 TRP 80 1.040 12.721 2.391 -2.943 -99.200 -91.000 TRP6 80 1.020 13.177 3.839 -4.780 -99.200 -91.000 TYR 84 0.840 21.995 0.424 9.031 -99.200 -91.000 TRP 96 1.040 9.084 -0.587 -4.644 -99.200 -91.000 TRP6 96 1.020 7.501 -0.548 -6.440 -99.200 -91.000 TRP 108 1.040 -9.325 4.239 -12.511 -99.200 -91.000 TRP6 108 1.020 -9.028 1.890 -12.281 -99.200 -91.000 HIS 115 0.900 8.022 -7.247 -1.831 -99.200 -91.000 PHE 118 1.000 17.474 -0.827 -2.153 -99.200 -91.000