============================================================================= 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. TRP 8 1.040 27.771 22.469 26.364 -99.200 -91.000 TRP6 8 1.020 28.349 20.193 26.073 -99.200 -91.000 TYR 23 0.840 21.826 21.234 15.772 -99.200 -91.000 TYR 24 0.840 27.986 23.665 11.205 -99.200 -91.000 TYR 25 0.840 19.149 22.474 11.958 -99.200 -91.000 TYR 36 0.840 3.483 10.496 22.608 -99.200 -91.000 HIS 46 0.900 9.748 29.430 26.330 -99.200 -91.000 PHE 49 1.000 8.580 24.070 24.185 -99.200 -91.000 TYR 59 0.840 -1.184 9.377 34.226 -99.200 -91.000 TYR 60 0.840 0.988 13.984 39.196 -99.200 -91.000 TYR 61 0.840 -2.460 20.235 41.526 -99.200 -91.000 HIS 69 0.900 13.529 16.990 34.826 -99.200 -91.000 HIS 72 0.900 16.949 22.510 30.658 -99.200 -91.000 TYR 82 0.840 17.361 28.102 24.189 -99.200 -91.000 PHE 91 1.000 2.075 14.498 20.020 -99.200 -91.000 TYR 104 0.840 9.962 3.211 40.038 -99.200 -91.000 PHE 113 1.000 -1.819 9.088 27.065 -99.200 -91.000 TYR 137 0.840 15.754 -4.468 38.446 -99.200 -91.000 TYR 169 0.840 20.651 3.825 40.410 -99.200 -91.000 TYR 186 0.840 36.094 22.408 28.918 -99.200 -91.000 PHE 192 1.000 25.682 15.080 35.990 -99.200 -91.000 TYR 195 0.840 30.138 3.921 36.641 -99.200 -91.000 PHE 202 1.000 28.617 8.074 28.477 -99.200 -91.000 TRP 212 1.040 12.836 26.981 34.849 -99.200 -91.000 TRP6 212 1.020 13.749 24.832 35.161 -99.200 -91.000 HIS 229 0.900 21.591 17.679 24.230 -99.200 -91.000 TYR 236 0.840 18.815 15.523 11.815 -99.200 -91.000 TYR 251 0.840 21.811 5.618 11.550 -99.200 -91.000 PHE 266 1.000 38.541 -2.801 30.683 -99.200 -91.000 TYR 274 0.840 29.188 13.146 13.802 -99.200 -91.000 TYR 277 0.840 23.540 18.793 7.553 -99.200 -91.000