============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 28 1.000 -51.470 -10.994 36.468 -99.200 -91.000 TYR 31 0.840 -59.399 -8.089 35.595 -99.200 -91.000 TRP 35 1.040 -45.121 -5.487 32.209 -99.200 -91.000 TRP6 35 1.020 -44.155 -5.563 34.360 -99.200 -91.000 TRP 46 1.040 -48.872 0.587 26.799 -99.200 -91.000 TRP6 46 1.020 -48.336 -0.372 24.702 -99.200 -91.000 TYR 59 0.840 -43.676 -7.276 23.267 -99.200 -91.000 PHE 63 1.000 -39.756 1.054 25.452 -99.200 -91.000 TYR 79 0.840 -42.265 -13.765 35.678 -99.200 -91.000 TYR 92 0.840 -38.315 -0.055 33.636 -99.200 -91.000 TYR 93 0.840 -45.076 3.298 38.438 -99.200 -91.000 TRP 106 1.040 -51.712 2.705 37.456 -99.200 -91.000 TRP6 106 1.020 -50.003 3.324 35.944 -99.200 -91.000 PHE 125 1.000 -15.050 14.022 51.866 -99.200 -91.000 TYR 148 0.840 -25.022 7.652 48.012 -99.200 -91.000 PHE 149 1.000 -24.204 2.356 41.344 -99.200 -91.000 TRP 157 1.040 -27.822 15.418 61.300 -99.200 -91.000 TRP6 157 1.020 -25.601 16.232 61.385 -99.200 -91.000 HIS 167 0.900 -34.655 18.949 53.393 -99.200 -91.000 PHE 169 1.000 -30.750 20.155 51.030 -99.200 -91.000 TYR 179 0.840 -27.138 7.538 42.510 -99.200 -91.000 TYR 197 0.840 -24.709 20.210 67.324 -99.200 -91.000 HIS 203 0.900 -23.925 2.662 50.054 -99.200 -91.000