============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 2 1.000 189.578 95.641 -70.131 -99.200 -91.000 PHE 5 1.000 198.366 93.993 -66.079 -99.200 -91.000 TYR 28 0.840 178.739 108.623 -52.483 -99.200 -91.000 TYR 44 0.840 170.722 108.167 -35.026 -99.200 -91.000 TYR 48 0.840 165.639 111.839 -29.422 -99.200 -91.000 TYR 50 0.840 157.814 105.744 -35.605 -99.200 -91.000 HIS 51 0.900 163.733 105.061 -27.567 -99.200 -91.000 PHE 54 1.000 158.989 102.603 -24.719 -99.200 -91.000 TYR 56 0.840 150.761 110.081 -24.300 -99.200 -91.000 PHE 57 1.000 150.205 106.079 -27.341 -99.200 -91.000 PHE 70 1.000 153.634 100.307 -34.861 -99.200 -91.000 PHE 71 1.000 153.448 104.484 -31.826 -99.200 -91.000 HIS 81 0.900 164.257 101.442 -41.744 -99.200 -91.000 TYR 88 0.840 175.164 103.203 -50.555 -99.200 -91.000 PHE 108 1.000 153.512 111.810 -29.186 -99.200 -91.000 HIS 110 0.900 143.098 115.392 -31.380 -99.200 -91.000 HIS 118 0.900 147.371 113.726 -32.291 -99.200 -91.000 HIS 138 0.900 165.148 106.876 -57.326 -99.200 -91.000 PHE 152 1.000 171.591 101.456 -49.529 -99.200 -91.000 TYR 157 0.840 167.019 102.725 -46.621 -99.200 -91.000 TYR 171 0.840 149.093 98.753 -37.165 -99.200 -91.000 HIS 182 0.900 135.188 96.416 -24.879 -99.200 -91.000 TRP 185 1.040 142.267 97.330 -22.842 -99.200 -91.000 TRP6 185 1.020 141.331 95.164 -22.970 -99.200 -91.000 HIS 186 0.900 138.872 93.286 -28.981 -99.200 -91.000 PHE 187 1.000 144.721 98.959 -33.477 -99.200 -91.000 HIS 193 0.900 148.339 89.485 -26.768 -99.200 -91.000