============================================================================= 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. HIS 5 0.900 -13.753 -0.541 54.773 -99.200 -91.000 HIS 10 0.900 -29.309 5.370 55.017 -99.200 -91.000 TYR 14 0.840 -21.020 13.017 51.764 -99.200 -91.000 HIS 27 0.900 -24.476 3.942 41.033 -99.200 -91.000 PHE 28 1.000 -26.389 7.037 34.667 -99.200 -91.000 HIS 35 0.900 -28.916 24.825 46.963 -99.200 -91.000 PHE 38 1.000 -28.295 23.964 41.662 -99.200 -91.000 HIS 44 0.900 -17.000 10.251 33.498 -99.200 -91.000 HIS 61 0.900 -25.466 0.764 53.188 -99.200 -91.000 HIS 72 0.900 -36.307 6.967 43.638 -99.200 -91.000 PHE 73 1.000 -35.001 14.783 44.902 -99.200 -91.000 PHE 79 1.000 -27.161 24.898 35.750 -99.200 -91.000 TYR 83 0.840 -16.286 16.067 29.525 -99.200 -91.000 HIS 121 0.900 2.869 12.277 46.943 -99.200 -91.000 TRP 130 1.040 -24.464 2.441 46.194 -99.200 -91.000 TRP6 130 1.020 -24.800 4.751 46.457 -99.200 -91.000 HIS 136 0.900 -12.653 -10.097 38.492 -99.200 -91.000 PHE 153 1.000 2.351 7.541 42.644 -99.200 -91.000 PHE 154 1.000 2.159 7.215 34.511 -99.200 -91.000 HIS 158 0.900 -8.081 19.896 34.542 -99.200 -91.000 PHE 163 1.000 -0.759 3.203 43.740 -99.200 -91.000 PHE 172 1.000 -14.739 0.499 33.988 -99.200 -91.000 PHE 191 1.000 -8.303 10.276 33.657 -99.200 -91.000 TRP 194 1.040 -5.609 -2.209 31.314 -99.200 -91.000 TRP6 194 1.020 -5.226 -2.906 29.101 -99.200 -91.000 PHE 201 1.000 -0.947 2.784 34.598 -99.200 -91.000 PHE 204 1.000 -4.951 10.364 36.367 -99.200 -91.000 PHE 205 1.000 -10.950 10.248 42.872 -99.200 -91.000 TYR 211 0.840 -13.272 22.428 37.675 -99.200 -91.000 TRP 214 1.040 -19.418 26.948 36.524 -99.200 -91.000 TRP6 214 1.020 -19.776 24.631 36.732 -99.200 -91.000