============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. HIS 3 0.900 -4.850 -6.439 -20.080 -99.200 -91.000 TYR 6 0.840 1.498 1.761 -18.071 -99.200 -91.000 PHE 8 1.000 6.695 7.387 -17.215 -99.200 -91.000 TYR 46 0.840 -1.521 10.272 -12.775 -99.200 -91.000 HIS 53 0.900 -4.455 -9.194 -8.258 -99.200 -91.000 TRP 58 1.040 10.689 -2.618 -5.050 -99.200 -91.000 TRP6 58 1.020 8.966 -3.677 -6.302 -99.200 -91.000 HIS 68 0.900 6.492 4.504 2.469 -99.200 -91.000 TYR 76 0.840 -3.225 7.418 -4.735 -99.200 -91.000 TYR 90 0.840 29.199 14.986 5.036 -99.200 -91.000 HIS 102 0.900 12.303 -2.116 -9.756 -99.200 -91.000 PHE 106 1.000 0.179 -5.983 -2.572 -99.200 -91.000 TYR 108 0.840 -5.952 -6.220 -0.840 -99.200 -91.000 PHE 134 1.000 16.413 11.144 21.658 -99.200 -91.000 HIS 136 0.900 20.928 11.013 9.786 -99.200 -91.000 HIS 152 0.900 -4.759 -21.679 1.238 -99.200 -91.000 HIS 153 0.900 -4.514 -14.551 1.550 -99.200 -91.000 PHE 158 1.000 4.763 -4.117 2.959 -99.200 -91.000 TRP 175 1.040 3.076 -10.066 13.669 -99.200 -91.000 TRP6 175 1.020 1.565 -8.285 14.002 -99.200 -91.000 PHE 187 1.000 16.441 6.967 6.924 -99.200 -91.000 PHE 193 1.000 10.083 13.911 22.070 -99.200 -91.000 TYR 197 0.840 -3.296 3.301 23.932 -99.200 -91.000 PHE 200 1.000 4.375 0.770 15.298 -99.200 -91.000 TYR 205 0.840 -3.634 -10.711 7.706 -99.200 -91.000 HIS 207 0.900 -2.003 -16.779 -2.393 -99.200 -91.000 HIS 209 0.900 2.688 -16.874 -6.741 -99.200 -91.000 HIS 210 0.900 1.519 -12.150 -4.613 -99.200 -91.000 PHE 214 1.000 13.308 -21.630 -4.944 -99.200 -91.000 TYR 215 0.840 18.011 -13.627 -4.062 -99.200 -91.000 HIS 218 0.900 9.305 -14.426 -13.757 -99.200 -91.000 PHE 230 1.000 5.926 -7.926 -4.056 -99.200 -91.000 TRP 232 1.040 6.569 -8.986 -10.207 -99.200 -91.000 TRP6 232 1.020 8.783 -8.693 -9.395 -99.200 -91.000 PHE 237 1.000 2.454 -2.664 -14.778 -99.200 -91.000