============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. HIS 13 0.900 -28.554 -4.467 -33.962 -99.200 -91.000 PHE 16 1.000 -26.363 -7.083 -21.276 -99.200 -91.000 PHE 21 1.000 -16.981 -6.429 -22.483 -99.200 -91.000 PHE 25 1.000 -22.541 1.575 -26.176 -99.200 -91.000 HIS 31 0.900 -21.582 17.293 -26.981 -99.200 -91.000 PHE 42 1.000 -9.474 12.669 -39.512 -99.200 -91.000 PHE 47 1.000 -3.884 2.036 -35.469 -99.200 -91.000 PHE 93 1.000 -15.690 -7.236 -33.359 -99.200 -91.000 TYR 99 0.840 -3.780 -3.328 -32.620 -99.200 -91.000 TRP 101 1.040 -2.006 -0.454 -28.494 -99.200 -91.000 TRP6 101 1.020 -3.374 0.666 -30.062 -99.200 -91.000 TYR 116 0.840 -14.618 2.620 -15.550 -99.200 -91.000 HIS 117 0.900 -12.532 -1.073 -18.506 -99.200 -91.000 PHE 132 1.000 -0.773 5.977 -31.516 -99.200 -91.000 PHE 137 1.000 -6.884 10.753 -24.472 -99.200 -91.000 TYR 156 0.840 2.275 18.711 -10.915 -99.200 -91.000 HIS 165 0.900 9.764 12.036 -20.854 -99.200 -91.000 HIS 166 0.900 6.305 9.603 -23.174 -99.200 -91.000 PHE 173 1.000 -15.479 18.985 -26.948 -99.200 -91.000 PHE 180 1.000 -20.273 10.285 -22.661 -99.200 -91.000 PHE 181 1.000 -29.432 4.510 -22.573 -99.200 -91.000 TRP 187 1.040 -20.489 17.296 -15.826 -99.200 -91.000 TRP6 187 1.020 -20.898 19.011 -17.409 -99.200 -91.000 PHE 205 1.000 8.032 9.887 -16.271 -99.200 -91.000 PHE 212 1.000 4.279 13.829 -7.625 -99.200 -91.000 TYR 228 0.840 16.043 8.320 -5.904 -99.200 -91.000 PHE 256 1.000 9.367 15.873 -9.759 -99.200 -91.000