============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 27 0.840 -0.458 9.945 53.943 -99.200 -91.000 PHE 29 1.000 -0.760 3.517 55.672 -99.200 -91.000 TYR 32 0.840 -4.843 11.476 51.992 -99.200 -91.000 TYR 33 0.840 -9.384 3.628 48.974 -99.200 -91.000 TRP 36 1.040 1.661 -1.240 46.277 -99.200 -91.000 TRP6 36 1.020 3.985 -1.083 46.679 -99.200 -91.000 TRP 47 1.040 -3.888 0.498 39.539 -99.200 -91.000 TRP6 47 1.020 -5.664 -1.050 39.677 -99.200 -91.000 TRP 50 1.040 -8.055 0.411 44.416 -99.200 -91.000 TRP6 50 1.020 -9.415 -0.316 46.215 -99.200 -91.000 TYR 60 0.840 -4.751 -7.927 44.673 -99.200 -91.000 PHE 64 1.000 0.519 -6.878 37.379 -99.200 -91.000 TYR 80 0.840 4.758 -4.469 54.765 -99.200 -91.000 PHE 92 1.000 13.551 1.786 38.283 -99.200 -91.000 TYR 93 0.840 7.554 -4.318 40.578 -99.200 -91.000 PHE 94 1.000 7.865 4.290 40.096 -99.200 -91.000 TYR 102 0.840 -15.751 16.084 49.813 -99.200 -91.000 TYR 103 0.840 -10.056 16.690 44.886 -99.200 -91.000 TYR 107 0.840 2.265 14.492 48.607 -99.200 -91.000 TRP 108 1.040 2.802 8.940 41.864 -99.200 -91.000 TRP6 108 1.020 2.769 7.139 40.333 -99.200 -91.000 PHE 127 1.000 37.636 -7.691 25.819 -99.200 -91.000 TYR 150 0.840 28.461 -4.535 33.360 -99.200 -91.000 PHE 151 1.000 22.999 -10.064 36.945 -99.200 -91.000 TRP 159 1.040 37.518 7.675 29.791 -99.200 -91.000 TRP6 159 1.020 38.668 6.330 28.229 -99.200 -91.000 HIS 169 0.900 29.274 11.934 24.645 -99.200 -91.000 PHE 171 1.000 27.833 5.851 23.870 -99.200 -91.000 TYR 181 0.840 22.691 -5.626 33.125 -99.200 -91.000 TYR 199 0.840 44.409 10.612 25.425 -99.200 -91.000 HIS 205 0.900 30.395 -5.582 38.551 -99.200 -91.000