============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 11 1.000 1.814 -32.168 -28.945 -99.200 -91.000 PHE 20 1.000 -0.347 -30.031 -24.162 -99.200 -91.000 TYR 25 0.840 6.961 -32.607 -22.729 -99.200 -91.000 PHE 27 1.000 9.945 -31.252 -15.655 -99.200 -91.000 TYR 32 0.840 10.835 -34.749 -6.762 -99.200 -91.000 TYR 37 0.840 -0.298 -39.588 4.712 -99.200 -91.000 TYR 61 0.840 0.407 -33.987 0.168 -99.200 -91.000 PHE 63 1.000 3.800 -29.979 0.536 -99.200 -91.000 PHE 72 1.000 5.068 -29.019 -19.655 -99.200 -91.000 TYR 75 0.840 5.411 -26.911 -13.584 -99.200 -91.000 PHE 86 1.000 -0.436 -53.514 -14.509 -99.200 -91.000 TYR 93 0.840 -3.896 -44.437 -9.264 -99.200 -91.000 PHE 98 1.000 -4.834 -30.823 -5.666 -99.200 -91.000 TRP 112 1.040 3.525 -37.930 -19.518 -99.200 -91.000 TRP6 112 1.020 3.925 -35.681 -20.148 -99.200 -91.000 PHE 114 1.000 1.998 -36.804 -14.802 -99.200 -91.000 HIS 126 0.900 9.209 -19.554 5.193 -99.200 -91.000 PHE 136 1.000 -8.918 -26.640 -5.235 -99.200 -91.000 TYR 148 0.840 18.446 -26.385 4.319 -99.200 -91.000 TYR 150 0.840 17.879 -32.130 11.587 -99.200 -91.000 PHE 167 1.000 2.396 -49.060 -13.289 -99.200 -91.000 HIS 174 0.900 -16.985 -39.159 -28.719 -99.200 -91.000 TYR 187 0.840 5.155 -40.648 -15.048 -99.200 -91.000 HIS 188 0.900 9.848 -46.371 -16.311 -99.200 -91.000 TRP 198 1.040 20.965 -33.186 2.039 -99.200 -91.000 TRP6 198 1.020 20.305 -32.041 0.073 -99.200 -91.000 HIS 207 0.900 -5.702 -28.221 7.680 -99.200 -91.000 HIS 209 0.900 -11.717 -27.333 -1.346 -99.200 -91.000 HIS 227 0.900 15.423 -30.503 0.742 -99.200 -91.000 PHE 228 1.000 13.988 -36.520 -4.303 -99.200 -91.000 PHE 241 1.000 -6.664 -53.571 -17.983 -99.200 -91.000 TYR 243 0.840 -9.041 -49.500 -16.641 -99.200 -91.000