============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 93 rings ring int. center anis. iso. PHE 4 1.000 -4.485 -16.597 4.417 -99.200 -91.000 PHE 8 1.000 -2.899 -20.590 2.700 -99.200 -91.000 TRP 10 1.040 -2.729 -17.714 -1.708 -99.200 -91.000 TRP6 10 1.020 -4.747 -17.347 -0.550 -99.200 -91.000 TYR 17 0.840 -20.000 -36.302 -16.833 -99.200 -91.000 TRP 33 1.040 -21.952 -38.369 -12.009 -99.200 -91.000 TRP6 33 1.020 -23.845 -36.950 -11.821 -99.200 -91.000 HIS 34 0.900 -22.281 -41.044 -22.109 -99.200 -91.000 PHE 36 1.000 -28.080 -39.919 -11.880 -99.200 -91.000 HIS 38 0.900 -26.043 -39.052 -22.717 -99.200 -91.000 HIS 55 0.900 -9.560 -28.333 -19.053 -99.200 -91.000 TYR 56 0.840 -10.475 -35.145 -24.823 -99.200 -91.000 TRP 59 1.040 -5.563 -29.455 -23.713 -99.200 -91.000 TRP6 59 1.020 -3.227 -29.143 -23.482 -99.200 -91.000 TYR 74 0.840 -6.439 -27.216 -12.862 -99.200 -91.000 PHE 76 1.000 -5.020 -32.140 -12.957 -99.200 -91.000 TRP 80 1.040 -11.161 -46.371 -12.630 -99.200 -91.000 TRP6 80 1.020 -11.934 -46.839 -10.421 -99.200 -91.000 PHE 98 1.000 -7.342 -34.207 -21.486 -99.200 -91.000 TYR 99 0.840 -6.774 -36.786 -17.431 -99.200 -91.000 PHE 114 1.000 -2.430 -29.971 -3.476 -99.200 -91.000 TYR 118 0.840 -15.001 -42.107 -7.687 -99.200 -91.000 HIS 119 0.900 -14.589 -33.855 -7.783 -99.200 -91.000 TRP 120 1.040 -18.014 -37.194 -6.447 -99.200 -91.000 TRP6 120 1.020 -19.598 -35.417 -6.226 -99.200 -91.000 PHE 124 1.000 -23.201 -48.565 -17.433 -99.200 -91.000 TRP 132 1.040 -17.679 -46.073 -5.537 -99.200 -91.000 TRP6 132 1.020 -15.396 -46.284 -4.883 -99.200 -91.000 TRP 140 1.040 -12.703 -54.320 -9.201 -99.200 -91.000 TRP6 140 1.020 -15.047 -53.986 -8.986 -99.200 -91.000 PHE 141 1.000 -9.519 -45.337 -5.541 -99.200 -91.000 TYR 144 0.840 -8.128 -44.558 -11.491 -99.200 -91.000 PHE 149 1.000 -0.895 -43.316 -6.346 -99.200 -91.000 PHE 152 1.000 -0.847 -39.597 -15.370 -99.200 -91.000 TRP 159 1.040 -0.188 -38.130 -6.327 -99.200 -91.000 TRP6 159 1.020 -1.165 -38.913 -8.323 -99.200 -91.000 TRP 166 1.040 -22.533 -38.091 4.158 -99.200 -91.000 TRP6 166 1.020 -24.079 -36.691 3.002 -99.200 -91.000 HIS 173 0.900 -23.940 -46.119 -4.360 -99.200 -91.000 TYR 175 0.840 -29.872 -38.258 1.011 -99.200 -91.000 HIS 178 0.900 -24.604 -35.951 -6.610 -99.200 -91.000 TYR 186 0.840 -30.319 -53.005 5.441 -99.200 -91.000 PHE 189 1.000 -24.845 -45.785 6.812 -99.200 -91.000 HIS 193 0.900 -16.167 -51.186 6.287 -99.200 -91.000 HIS 199 0.900 -7.967 -43.016 2.258 -99.200 -91.000 PHE 206 1.000 1.631 -41.083 -2.638 -99.200 -91.000 PHE 219 1.000 -12.693 -36.945 4.866 -99.200 -91.000 TYR 223 0.840 -21.066 -23.203 12.580 -99.200 -91.000 PHE 224 1.000 -24.634 -30.130 9.464 -99.200 -91.000 PHE 239 1.000 -27.028 -38.830 12.723 -99.200 -91.000 HIS 241 0.900 -18.357 -32.358 13.563 -99.200 -91.000 PHE 243 1.000 -25.080 -39.874 7.778 -99.200 -91.000 TYR 246 0.840 -13.841 -33.201 10.960 -99.200 -91.000 PHE 249 1.000 -16.468 -41.101 4.785 -99.200 -91.000 TYR 254 0.840 -6.0