============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 8 1.000 -30.633 -35.166 1.129 -99.200 -91.000 TRP 15 1.040 -22.598 -21.535 7.149 -99.200 -91.000 TRP6 15 1.020 -21.050 -19.916 6.273 -99.200 -91.000 HIS 16 0.900 -26.451 -24.847 9.987 -99.200 -91.000 TYR 24 0.840 -31.162 -17.407 22.295 -99.200 -91.000 PHE 51 1.000 -45.341 -31.172 4.258 -99.200 -91.000 HIS 53 0.900 -50.906 -34.763 -4.347 -99.200 -91.000 PHE 56 1.000 -49.990 -25.589 0.096 -99.200 -91.000 HIS 59 0.900 -56.919 -14.536 -0.874 -99.200 -91.000 HIS 61 0.900 -50.075 -16.459 -2.017 -99.200 -91.000 PHE 67 1.000 -56.385 -12.225 12.207 -99.200 -91.000 TYR 88 0.840 -23.781 -31.245 -5.007 -99.200 -91.000 TRP 100 1.040 -43.434 -17.819 13.413 -99.200 -91.000 TRP6 100 1.020 -42.220 -19.654 12.509 -99.200 -91.000 HIS 110 0.900 -48.070 -17.307 21.934 -99.200 -91.000 TYR 115 0.840 -43.263 -3.627 22.503 -99.200 -91.000 PHE 123 1.000 -49.446 -8.953 9.921 -99.200 -91.000 TYR 136 0.840 -37.516 -18.358 -8.798 -99.200 -91.000 TYR 137 0.840 -39.567 -17.765 -0.709 -99.200 -91.000 PHE 139 1.000 -44.241 -16.905 2.200 -99.200 -91.000 TYR 147 0.840 -39.947 -9.794 18.986 -99.200 -91.000 TRP 149 1.040 -34.599 -10.033 22.725 -99.200 -91.000 TRP6 149 1.020 -33.370 -12.129 23.088 -99.200 -91.000 TRP 156 1.040 -34.778 -2.530 22.169 -99.200 -91.000 TRP6 156 1.020 -36.996 -1.871 21.821 -99.200 -91.000 HIS 160 0.900 -37.490 -11.545 14.394 -99.200 -91.000 HIS 162 0.900 -39.020 -16.550 14.062 -99.200 -91.000 PHE 163 1.000 -38.894 -16.915 5.074 -99.200 -91.000 TYR 179 0.840 -32.220 -11.774 11.646 -99.200 -91.000 PHE 180 1.000 -37.345 -7.261 6.683 -99.200 -91.000 TYR 221 0.840 -36.671 -5.408 1.985 -99.200 -91.000 PHE 223 1.000 -34.148 -15.380 3.553 -99.200 -91.000 HIS 234 0.900 -20.101 -41.362 -5.006 -99.200 -91.000 PHE 235 1.000 -17.681 -46.091 -7.533 -99.200 -91.000