============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TRP 23 1.040 6.870 24.051 27.289 -99.200 -91.000 TRP6 23 1.020 8.314 25.615 26.244 -99.200 -91.000 PHE 30 1.000 8.441 20.139 33.974 -99.200 -91.000 TYR 32 0.840 17.748 16.263 28.145 -99.200 -91.000 PHE 33 1.000 16.144 21.571 34.896 -99.200 -91.000 TRP 56 1.040 13.353 30.259 44.515 -99.200 -91.000 TRP6 56 1.020 14.538 28.304 45.152 -99.200 -91.000 PHE 57 1.000 10.366 33.638 44.778 -99.200 -91.000 HIS 86 0.900 20.749 24.213 48.595 -99.200 -91.000 PHE 87 1.000 25.908 28.521 48.913 -99.200 -91.000 TRP 112 1.040 24.442 21.106 34.678 -99.200 -91.000 TRP6 112 1.020 23.981 20.586 32.430 -99.200 -91.000 TYR 120 0.840 18.955 30.147 29.641 -99.200 -91.000 HIS 126 0.900 32.735 30.986 31.445 -99.200 -91.000 HIS 129 0.900 33.940 23.919 25.487 -99.200 -91.000 PHE 133 1.000 24.294 19.565 27.680 -99.200 -91.000 PHE 141 1.000 3.587 25.607 22.703 -99.200 -91.000 PHE 146 1.000 10.338 35.925 22.827 -99.200 -91.000 PHE 147 1.000 19.097 30.000 24.686 -99.200 -91.000 TYR 155 0.840 27.802 29.045 21.257 -99.200 -91.000 TYR 161 0.840 27.294 15.639 25.569 -99.200 -91.000 TYR 176 0.840 9.820 16.605 24.463 -99.200 -91.000 PHE 178 1.000 15.415 15.345 25.210 -99.200 -91.000 TYR 181 0.840 22.832 24.125 19.039 -99.200 -91.000