*HEADER    TOXIN                                   24-JAN-13   3ZKT
*TITLE     SOLUTION STRUCTURE OF THE SOMATOSTATIN SST3 RECEPTOR
*TITLE    2 ANTAGONIST TAU-CONOTOXIN CNVA
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: TAU-CNVA;
*COMPND   3 CHAIN: A;
*COMPND   4 OTHER_DETAILS: C-TERMINAL AMIDATION
*SOURCE    MOL_ID: 1;
*SOURCE   2 SYNTHETIC: YES;
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS CONSORS;
*SOURCE   4 ORGANISM_TAXID: 101297;
*SOURCE   5 ORGAN: VENOM DUCT;
*SOURCE   6 OTHER_DETAILS: VENOM
*KEYWDS    TOXIN, SST3, AMIDATED C-TERMINUS
*EXPDTA    SOLUTION NMR
*AUTHOR    C.PETREL,H.G.HOCKING,M.REYNAUD,P.FAVREAU,M.PAOLINI-BERTRAND,
*AUTHOR   2 S.PEIGNEUR,G.UPERT,J.TYTGAT,N.GILLES,O.HARTLEY,R.BOELENS,R.STOCKLIN,
*AUTHOR   3 D.SERVENT
*REVDAT   1   24-JAN-13 3ZKT    0




assign (resid    2 and name H    ) (resid    2 and name HB2  )    3.98    3.98    0.00
assign (resid    2 and name H    ) (resid    2 and name HB3  )    3.98    3.98    0.00
assign (resid    6 and name HA   ) (resid    7 and name H    )    3.20    3.20    0.00
assign (resid    8 and name HA   ) (resid    9 and name H    )    3.10    3.10    0.00
assign (resid    3 and name HA   ) (resid    4 and name H    )    3.49    3.49    0.00
assign (resid   10 and name HA   ) (resid   11 and name H    )    3.48    3.48    0.00
assign (resid    9 and name H    ) (resid    9 and name HB2  )    3.51    3.51    0.00
assign (resid    2 and name HB3  ) (resid    3 and name H    )    3.75    3.75    0.00
assign (resid    3 and name H    ) (resid    3 and name HB3  )    3.97    3.97    0.00
assign (resid    9 and name HB3  ) (resid   10 and name H    )    3.84    3.84    0.00
assign (resid    3 and name HB2  ) (resid   10 and name H    )    4.70    4.70    0.00
assign (resid    3 and name H    ) (resid    3 and name HB2  )    3.82    3.82    0.00
assign (resid    9 and name H    ) (resid    9 and name HB3  )    4.02    4.02    0.00
assign (resid    6 and name HB3  ) (resid    7 and name H    )    3.58    3.58    0.00
assign (resid    6 and name HB2  ) (resid    7 and name H    )    4.17    4.17    0.00
assign (resid    7 and name H    ) (resid    7 and name HB2  )    3.49    3.49    0.00
assign (resid    8 and name HB3  ) (resid    9 and name H    )    4.44    4.44    0.00
assign (resid   11 and name H    ) (resid   11 and name HB2  )    3.91    3.91    0.00
assign (resid    7 and name H    ) (resid    8 and name H    )    3.69    3.69    0.00
assign (resid    3 and name H    ) (resid    4 and name H    )    4.35    4.35    0.00
assign (resid    8 and name H    ) (resid    9 and name H    )    4.64    4.64    0.00
assign (resid    2 and name H    ) (resid    3 and name H    )    4.48    4.48    0.00
assign (resid    8 and name HB2  ) (resid    9 and name H    )    4.44    4.44    0.00
assign (resid    9 and name HA   ) (resid   10 and name H    )    3.57    3.57    0.00
assign (resid    2 and name HA   ) (resid    3 and name H    )    3.25    3.25    0.00
assign (resid    3 and name H    ) (resid    9 and name HA   )    3.50    3.50    0.00
assign (resid    9 and name HB2  ) (resid   10 and name H    )    4.55    4.55    0.00
assign (resid    1 and name HG*  ) (resid    3 and name H    )    5.43    5.43    0.00
assign (resid    3 and name H    ) (resid    6 and name HB2  )    5.50    5.50    0.00
assign (resid   12 and name H    ) (resid   14 and name H    )    5.36    5.36    0.00
assign (resid    4 and name H    ) (resid    5 and name H    )    4.60    4.60    0.00
assign (resid   10 and name H    ) (resid   11 and name H    )    4.47    4.47    0.00
assign (resid    6 and name H    ) (resid    7 and name H    )    4.53    4.53    0.00
assign (resid    3 and name HB3  ) (resid    4 and name H    )    4.78    4.78    0.00
assign (resid    3 and name H    ) (resid    9 and name HB3  )    5.04    5.04    0.00
assign (resid   10 and name HB2  ) (resid   11 and name H    )    4.63    4.63    0.00
assign (resid   10 and name HB3  ) (resid   11 and name H    )    4.63    4.63    0.00
assign (resid    5 and name HG*  ) (resid    6 and name HA   )    5.04    5.04    0.00
assign (resid    6 and name HA   ) (resid    6 and name HG*  )    3.73    3.73    0.00
assign (resid    5 and name HG*  ) (resid    6 and name HG*  )    4.63    4.63    0.00
assign (resid    3 and name HB2  ) (resid    6 and name HG*  )    4.93    4.93    0.00
assign (resid    3 and name HB2  ) (resid    5 and name HG*  )    4.94    4.94    0.00
assign (resid    3 and name HB2  ) (resid    6 and name HB2  )    4.73    4.73    0.00
assign (resid    6 and name HG*  ) (resid    7 and name H    )    4.32    4.32    0.00
assign (resid    7 and name H    ) (resid    7 and name HB3  )    3.36    3.36    0.00
assign (resid   11 and name H    ) (resid   11 and name HB3  )    3.91    3.91    0.00
assign (resid    7 and name HB3  ) (resid    8 and name H    )    4.03    4.03    0.00
assign (resid    5 and name H    ) (resid    5 and name HG*  )    4.31    4.31    0.00
assign (resid    6 and name H    ) (resid    6 and name HG*  )    4.61    4.61    0.00
assign (resid    5 and name H    ) (resid    6 and name HG*  )    5.35    5.35    0.00
assign (resid    6 and name HG*  ) (resid    8 and name H    )    5.50    5.50    0.00
assign (resid    2 and name HB2  ) (resid    3 and name H    )    3.75    3.75    0.00
assign (resid    3 and name HB3  ) (resid   10 and name H    )    4.13    4.13    0.00
assign (resid   12 and name HE   ) (resid   14 and name HA   )    3.18    3.18    0.00
assign (resid   14 and name H    ) (resid   14 and name HB   )    3.43    3.43    0.00
assign (resid   12 and name H    ) (resid   12 and name HB*  )    3.51    3.51    0.00
assign (resid    5 and name HG*  ) (resid    5 and name HE   )    3.79    3.79    0.00
assign (resid   14 and name H    ) (resid   14 and name HG*  )    3.65    3.65    0.00
assign (resid   13 and name HA   ) (resid   14 and name H    )    2.63    2.63    0.00
assign (resid   12 and name HA   ) (resid   13 and name H    )    2.63    2.63    0.00
assign (resid   11 and name HA   ) (resid   12 and name H    )    2.60    2.60    0.00
assign (resid    1 and name HA   ) (resid    2 and name H    )    3.06    3.06    0.00
assign (resid   13 and name HA   ) (resid   13 and name HD*  )    2.90    2.90    0.00
assign (resid   13 and name HA   ) (resid   13 and name HE*  )    4.58    4.58    0.00
assign (resid    5 and name HB2  ) (resid    5 and name HD*  )    3.97    3.97    0.00
assign (resid    5 and name HB3  ) (resid    5 and name HD*  )    3.97    3.97    0.00
assign (resid    5 and name HG*  ) (resid    5 and name HD*  )    3.00    3.00    0.00
assign (resid   12 and name HB*  ) (resid   12 and name HD*  )    3.33    3.33    0.00
assign (resid    1 and name HA   ) (resid    1 and name HG*  )    3.44    3.44    0.00
assign (resid   12 and name HA   ) (resid   12 and name HD*  )    3.74    3.74    0.00
assign (resid   11 and name HB3  ) (resid   12 and name H    )    4.43    4.43    0.00
assign (resid   12 and name H    ) (resid   12 and name HG3  )    4.78    4.78    0.00
assign (resid    1 and name HB2  ) (resid    2 and name H    )    5.03    5.03    0.00
assign (resid    1 and name HB3  ) (resid    2 and name H    )    5.03    5.03    0.00
assign (resid   13 and name HB2  ) (resid   14 and name H    )    5.29    5.29    0.00
assign (resid   13 and name HB3  ) (resid   14 and name H    )    5.29    5.29    0.00
assign (resid   12 and name HB*  ) (resid   12 and name HE   )    4.23    4.23    0.00
assign (resid   12 and name HE   ) (resid   14 and name HB   )    4.43    4.43    0.00
assign (resid   12 and name HA   ) (resid   14 and name H    )    5.38    5.38    0.00
assign (resid   12 and name HE   ) (resid   14 and name H    )    4.21    4.21    0.00
assign (resid    4 and name HA   ) (resid    4 and name HD2  )    4.40    4.40    0.00
assign (resid    5 and name HA   ) (resid    5 and name HD*  )    4.85    4.85    0.00
assign (resid   12 and name HB*  ) (resid   13 and name H    )    4.42    4.42    0.00
assign (resid   14 and name HA   ) (resid   14 and name HG*  )    2.96    2.96    0.00
assign (resid    5 and name HA   ) (resid    5 and name HG*  )    3.73    3.73    0.00
assign (resid   12 and name H    ) (resid   12 and name HG2  )    4.78    4.78    0.00
assign (resid   11 and name HB2  ) (resid   12 and name H    )    4.43    4.43    0.00
assign (resid    2 and name HA   ) (resid    9 and name HB3  )    4.00    4.00    0.00
assign (resid    7 and name HB3  ) (resid    8 and name HA   )    4.08    4.08    0.00
assign (resid    6 and name HA   ) (resid    7 and name HB2  )    4.40    4.40    0.00
assign (resid    1 and name HB*  ) (resid    2 and name H    )    4.36    4.36    0.00
assign (resid    2 and name H    ) (resid    2 and name HB*  )    3.46    3.46    0.00
assign (resid    2 and name HB*  ) (resid    3 and name H    )    3.21    3.21    0.00
assign (resid    2 and name HB*  ) (resid    9 and name HA   )    4.56    4.56    0.00
assign (resid    2 and name HB*  ) (resid   10 and name H    )    4.04    4.04    0.00
assign (resid    4 and name H    ) (resid    4 and name HB*  )    3.64    3.64    0.00
assign (resid    4 and name HB*  ) (resid    4 and name HD2  )    3.45    3.45    0.00
assign (resid    5 and name HB*  ) (resid    5 and name HD*  )    3.49    3.49    0.00
assign (resid    5 and name HB*  ) (resid    5 and name HE   )    4.92    4.92    0.00
assign (resid    6 and name HG*  ) (resid    6 and name HE2* )    3.35    3.35    0.00
assign (resid    8 and name H    ) (resid    8 and name HB*  )    3.57    3.57    0.00
assign (resid    8 and name HB*  ) (resid    9 and name H    )    3.56    3.56    0.00
assign (resid   10 and name H    ) (resid   10 and name HB*  )    3.57    3.57    0.00
assign (resid   10 and name HB*  ) (resid   11 and name H    )    4.07    4.07    0.00
assign (resid   11 and name H    ) (resid   11 and name HB*  )    3.36    3.36    0.00
assign (resid   11 and name HB*  ) (resid   12 and name H    )    3.83    3.83    0.00
assign (resid   11 and name HB*  ) (resid   12 and name HA   )    4.21    4.21    0.00
assign (resid   12 and name HA   ) (resid   12 and name HG*  )    3.52    3.52    0.00
assign (resid   12 and name HG*  ) (resid   13 and name H    )    4.59    4.59    0.00
assign (resid   13 and name H    ) (resid   13 and name HB*  )    3.12    3.12    0.00