============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. TYR 3 0.840 -33.695 22.962 45.560 -99.200 -91.000 PHE 4 1.000 -31.605 26.697 38.154 -99.200 -91.000 TYR 6 0.840 -38.248 35.367 38.925 -99.200 -91.000 TRP 13 1.040 -31.840 35.358 44.765 -99.200 -91.000 TRP6 13 1.020 -30.326 35.536 46.579 -99.200 -91.000 TYR 26 0.840 -17.742 32.084 37.743 -99.200 -91.000 TYR 31 0.840 -25.430 25.709 28.758 -99.200 -91.000 TYR 33 0.840 -24.868 22.642 34.126 -99.200 -91.000 HIS 41 0.900 -35.184 16.984 39.007 -99.200 -91.000 TRP 42 1.040 -29.390 9.076 41.005 -99.200 -91.000 TRP6 42 1.020 -29.313 7.794 42.992 -99.200 -91.000 HIS 43 0.900 -31.079 10.841 46.925 -99.200 -91.000 PHE 45 1.000 -36.430 9.221 37.174 -99.200 -91.000 TYR 52 0.840 -38.053 -5.894 41.124 -99.200 -91.000 HIS 54 0.900 -33.661 0.525 42.604 -99.200 -91.000 TYR 58 0.840 -26.960 11.788 34.072 -99.200 -91.000 PHE 79 1.000 -22.467 7.759 36.477 -99.200 -91.000 PHE 102 1.000 -19.429 1.199 24.996 -99.200 -91.000 PHE 123 1.000 -18.991 -4.451 26.581 -99.200 -91.000 PHE 156 1.000 -30.713 1.232 13.996 -99.200 -91.000 PHE 160 1.000 -40.716 -8.278 21.957 -99.200 -91.000 TYR 167 0.840 -31.520 -12.268 24.437 -99.200 -91.000 HIS 171 0.900 -26.709 -20.618 26.078 -99.200 -91.000 HIS 179 0.900 -23.986 -11.368 32.649 -99.200 -91.000 HIS 184 0.900 -33.837 2.044 25.388 -99.200 -91.000 PHE 190 1.000 -44.701 0.218 30.166 -99.200 -91.000 HIS 210 0.900 -30.759 -19.950 33.413 -99.200 -91.000 HIS 213 0.900 -28.742 -6.692 33.230 -99.200 -91.000 TYR 224 0.840 -43.068 15.318 45.629 -99.200 -91.000 TYR 231 0.840 -46.577 5.209 30.391 -99.200 -91.000 HIS 242 0.900 -41.767 -12.965 34.856 -99.200 -91.000 PHE 249 1.000 -36.526 1.913 36.492 -99.200 -91.000 PHE 268 1.000 -26.623 45.651 19.551 -99.200 -91.000 HIS 271 0.900 -38.801 47.748 19.141 -99.200 -91.000 HIS 274 0.900 -47.019 44.031 9.912 -99.200 -91.000 PHE 277 1.000 -37.213 40.211 14.523 -99.200 -91.000 TYR 293 0.840 -33.081 17.588 18.580 -99.200 -91.000 TRP 296 1.040 -42.420 27.265 24.012 -99.200 -91.000 TRP6 296 1.020 -42.529 27.644 26.341 -99.200 -91.000 TYR 312 0.840 -39.224 42.327 22.820 -99.200 -91.000 PHE 324 1.000 -35.363 29.621 16.154 -99.200 -91.000 TYR 347 0.840 -30.198 15.041 25.523 -99.200 -91.000 PHE 349 1.000 -20.244 23.130 27.484 -99.200 -91.000 TYR 355 0.840 -21.762 28.043 12.188 -99.200 -91.000 TYR 372 0.840 -19.031 23.946 44.828 -99.200 -91.000 TRP 384 1.040 -6.130 30.197 16.002 -99.200 -91.000 TRP6 384 1.020 -7.746 31.642 16.897 -99.200 -91.000