*HEADER    RIBOSOMAL PROTEIN                       19-JUL-99   1QKF
*TITLE     SOLUTION STRUCTURE OF THE RIBOSOMAL PROTEIN S19 FROM
*TITLE    2 THERMUS THERMOPHILUS
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: 30S RIBOSOMAL PROTEIN S19;
*COMPND   3 CHAIN: A;
*COMPND   4 ENGINEERED: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS;
*SOURCE   3 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   4 EXPRESSION_SYSTEM_STRAIN: B834(DE3);
*SOURCE   5 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR: PACA;
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PTTHS19
*KEYWDS    RIBOSOME, RIBOSOMAL PROTEIN, THERMUS THERMOPHILUS, S19
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE
*AUTHOR    M.HELGSTRAND,A.V.RAK,P.ALLARD,N.DAVYDOVA,M.B.GARBER,T.HARD
*REVDAT   1   20-JUL-99 1QKF    0




assign (resid   9 and name HA   ) (resid  10 and name HB1  )    5.000    5.000    0.000

assign (resid   9 and name HG#  ) (resid   9 and name HA   )    0.000    0.000    5.000

assign (resid  10 and name HA   ) (resid   9 and name HA   )    0.000    0.000    5.000

assign (resid  10 and name HA   ) (resid  11 and name HA   )    5.000    5.000    0.000

assign (resid  10 and name HA   ) (resid  11 and name HG#  )    0.000    0.000    5.000

assign (resid  10 and name HB1  ) (resid  10 and name HN   )    3.500    3.500    0.000

assign (resid  10 and name HB2  ) (resid  10 and name HD#  )    5.000    5.000    0.000

assign (resid  10 and name HB2  ) (resid  10 and name HE#  )    5.000    5.000    0.000

assign (resid  10 and name HD#  ) (resid  10 and name HA   )    0.000    0.000    5.000

assign (resid  10 and name HD#  ) (resid  10 and name HB1  )    5.000    5.000    0.000

assign (resid  10 and name HD#  ) (resid  11 and name HN   )    5.000    5.000    0.000

assign (resid  10 and name HD#  ) (resid  12 and name HN   )    5.000    5.000    0.000

assign (resid  10 and name HD#  ) (resid  13 and name HB#  )    6.000    6.000    0.000

assign (resid  10 and name HD#  ) (resid  37 and name HD#  )    6.000    6.000    0.000

assign (resid  10 and name HD#  ) (resid  38 and name HA   )    5.000    5.000    0.000

assign (resid  10 and name HD#  ) (resid  39 and name HN   )    5.000    5.000    0.000

assign (resid  10 and name HE#  ) (resid  10 and name HA   )    6.000    6.000    0.000

assign (resid  10 and name HE#  ) (resid  10 and name HB1  )    5.000    5.000    0.000

assign (resid  10 and name HE#  ) (resid  10 and name HD#  )    0.000    0.000    5.000

assign (resid  10 and name HE#  ) (resid  11 and name HA   )    6.000    6.000    0.000

assign (resid  10 and name HE#  ) (resid  11 and name HN   )    6.000    6.000    0.000

assign (resid  10 and name HE#  ) (resid  12 and name HA   )    6.000    6.000    0.000

assign (resid  10 and name HE#  ) (resid  12 and name HB#  )    5.000    5.000    0.000

assign (resid  10 and name HE#  ) (resid  12 and name HN   )    5.000    5.000    0.000

assign (resid  10 and name HE#  ) (resid  13 and name HN   )    6.000    6.000    0.000

assign (resid  10 and name HE#  ) (resid  37 and name HD#  )    6.000    6.000    0.000

assign (resid  10 and name HE#  ) (resid  38 and name HA   )    5.000    5.000    0.000

assign (resid  10 and name HE#  ) (resid  38 and name HB1  )    6.000    6.000    0.000

assign (resid  10 and name HE#  ) (resid  38 and name HB2  )    5.000    5.000    0.000

assign (resid  10 and name HE#  ) (resid  39 and name HN   )    6.000    6.000    0.000

assign (resid  10 and name HZ   ) (resid  10 and name HD#  )    0.000    0.000    5.000

assign (resid  10 and name HZ   ) (resid  10 and name HE#  )    0.000    0.000    3.500

assign (resid  10 and name HZ   ) (resid  14 and name HB#  )    5.000    5.000    0.000

assign (resid  10 and name HZ   ) (resid  38 and name HA   )    5.000    5.000    0.000

assign (resid  11 and name HG#  ) (resid  11 and name HA   )    0.000    0.000    5.000

assign (resid  11 and name HG#  ) (resid  11 and name HB   )    0.000    0.000    5.000

assign (resid  11 and name HN   ) (resid  10 and name HB2  )    5.000    5.000    0.000

assign (resid  11 and name HN   ) (resid  11 and name HG#  )    0.000    0.000    5.000

assign (resid  12 and name HA   ) (resid  10 and name HZ   )    0.000    0.000    5.000

assign (resid  12 and name HB#  ) (resid  10 and name HZ   )    0.000    0.000    5.000

assign (resid  12 and name HB#  ) (resid  11 and name HA   )    0.000    0.000    5.000

assign (resid  12 and name HB#  ) (resid  12 and name HA   )    0.000    0.000    3.500

assign (resid  12 and name HB#  ) (resid  15 and name HD#  )    5.000    5.000    0.000

assign (resid  12 and name HN   ) (resid  11 and name HG#  )    5.000    5.000    0.000

assign (resid  12 and name HN   ) (resid  38 and name HB1  )    5.000    5.000    0.000

assign (resid  13 and name HB#  ) (resid  13 and name HA   )    0.000    0.000    3.500

assign (resid  13 and name HB#  ) (resid  14 and name HA   )    5.000    5.000    0.000

assign (resid  13 and name HN   ) (resid  14 and name HA   )    5.000    5.000    0.000

assign (resid  14 and name HB#  ) (resid  12 and name HB#  )    6.000    6.000    0.000

assign (resid  14 and name HB#  ) (resid  13 and name HB#  )    5.000    5.000    0.000

assign (resid  14 and name HB#  ) (resid  14 and name HA   )    5.000    5.000    0.000

assign (resid  14 and name HB#  ) (resid  15 and name HB#  )    5.000    5.000    0.000

assign (resid  14 and name HB#  ) (resid  33 and name HG2# )    6.000    6.000    0.000

assign (resid  14 and name HN   ) (resid  14 and name HB#  )    0.000    0.000    3.500

assign (resid  15 and name HB#  ) (resid  12 and name HB#  )    0.000    0.000    5.000

assign (resid  15 and name HB#  ) (resid  15 and name HA   )    5.000    5.000    0.000

assign (resid  15 and name HD#  ) (resid  12 and name HN   )    0.000    0.000    5.000

assign (resid  15 and name HD#  ) (resid  15 and name HA   )    5.000    5.000    0.000

assign (resid  15 and name HD#  ) (resid  15 and name HB#  )    0.000    0.000    5.000

assign (resid  15 and name HD#  ) (resid  15 and name HN   )    0.000    0.000    5.000

assign (resid  15 and name HG   ) (resid  11 and name HG#  )    5.000    5.000    0.000

assign (resid  15 and name HG   ) (resid  15 and name HB#  )    0.000    0.000    5.000

assign (resid  15 and name HG   ) (resid  15 and name HD#  )    0.000    0.000    5.000

assign (resid  16 and name HA   ) (resid  19 and name HB   )    5.000    5.000    0.000

assign (resid  16 and name HB2  ) (resid  13 and name HA   )    0.000    0.000    5.000

assign (resid  16 and name HB2  ) (resid  16 and name HD#  )    5.000    5.000    0.000

assign (resid  16 and name HD#  ) (resid  16 and name HA   )    0.000    0.000    3.500

assign (resid  16 and name HG   ) (resid  16 and name HD#  )    5.000    5.000    0.000

assign (resid  16 and name HN   ) (resid  15 and name HD#  )    5.000    5.000    0.000

assign (resid  16 and name HN   ) (resid  15 and name HG   )    3.500    3.500    0.000

assign (resid  16 and name HN   ) (resid  16 and name HB2  )    0.000    0.000    3.500

assign (resid  17 and name HA   ) (resid  20 and name HB#  )    5.000    5.000    0.000

assign (resid  17 and name HA   ) (resid  20 and name HG   )    5.000    5.000    0.000

assign (resid  17 and name HB#  ) (resid  17 and name HA   )    0.000    0.000    5.000

assign (resid  17 and name HG#  ) (resid  17 and name HA   )    0.000    0.000    3.500

assign (resid  18 and name HN   ) (resid  16 and name HA   )    5.000    5.000    0.000

assign (resid  18 and name HN   ) (resid  18 and name HB2  )    0.000    0.000    3.500

assign (resid  19 and name HA   ) (resid  22 and name HD#  )    5.000    5.000    0.000

assign (resid  19 and name HG#  ) (resid  16 and name HA   )    0.000    0.000    5.000

assign (resid  19 and name HG#  ) (resid  16 and name HD#  )    6.000    6.000    0.000

assign (resid  19 and name HG#  ) (resid  19 and name HA   )    0.000    0.000    3.500

assign (resid  19 and name HG#  ) (resid  19 and name HB   )    0.000    0.000    5.000

assign (resid  19 and name HG#  ) (resid  20 and name HD#  )    6.000    6.000    0.000

assign (resid  19 and name HG#  ) (resid  44 and name HA   )    0.000    0.000    5.000

assign (resid  19 and name HN   ) (resid  15 and name HA   )    0.000    0.000    5.000

assign (resid  19 and name HN   ) (resid  15 and name HG   )    5.000    5.000    0.000

assign (resid  19 and name HN   ) (resid  16 and name HG   )    5.000    5.000    0.000

assign (resid  19 and name HN   ) (resid  17 and name HA   )    0.000    0.000    5.000

assign (resid  20 and name HA   ) (resid  19 and name HG#  )    5.000    5.000    0.000

assign (resid  20 and name HA   ) (resid  23 and name HB#  )    5.000    5.000    0.000

assign (resid  20 and name HB#  ) (resid  20 and name HA   )    0.000    0.000    3.500

assign (resid  20 and name HD#  ) (resid  20 and name HB#  )    5.000    5.000    0.000

assign (resid  20 and name HD#  ) (resid  20 and name HG   )    5.000    5.000    0.000

assign (resid  20 and name HG   ) (resid  19 and name HG#  )    0.000    0.000    5.000

assign (resid  20 and name HN   ) (resid  16 and name HG   )    5.000    5.000    0.000

assign (resid  20 and name HN   ) (resid  22 and name HB2  )    5.000    5.000    0.000

assign (resid  21 and name HA   ) (resid  20 and name HN   )    0.000    0.000    5.000

assign (resid  21 and name HA   ) (resid  23 and name HN   )    5.000    5.000    0.000

assign (resid  21 and name HA   ) (resid  24 and name HB#  )    5.000    5.000    0.000

assign (resid  21 and name HB#  ) (resid  21 and name HA   )    0.000    0.000    5.000

assign (resid  21 and name HG#  ) (resid  21 and name HA   )    0.000    0.000    5.000

assign (resid  21 and name HG#  ) (resid  21 and name HB#  )    5.000    5.000    0.000

assign (resid  21 and name HG#  ) (resid  24 and name HB#  )    5.000    5.000    0.000

assign (resid  22 and name HA   ) (resid  23 and name HD21 )    6.000    6.000    0.000

assign (resid  22 and name HA   ) (resid  25 and name HB#  )    5.000    5.000    0.000

assign (resid  22 and name HD#  ) (resid  22 and name HA   )    5.000    5.000    0.000

assign (resid  23 and name HA   ) (resid  24 and name HA   )    6.000    6.000    0.000

assign (resid  23 and name HB#  ) (resid  23 and name HA   )    0.000    0.000    5.000

assign (resid  23 and name HD22 ) (resid  20 and name HA   )    5.000    5.000    0.000

assign (resid  23 and name HN   ) (resid  19 and name HA   )    0.000    0.000    5.000

assign (resid  23 and name HN   ) (resid  20 and name HN   )    5.000    5.000    0.000

assign (resid  23 and name HN   ) (resid  21 and name HB#  )    0.000    0.000    5.000

assign (resid  23 and name HN   ) (resid  23 and name HD21 )    0.000    0.000    5.000

assign (resid  24 and name HB#  ) (resid  24 and name HA   )    0.000    0.000    5.000

assign (resid  24 and name HN   ) (resid  23 and name HA   )    0.000    0.000    5.000

assign (resid  25 and name HB#  ) (resid  25 and name HA   )    5.000    5.000    0.000

assign (resid  25 and name HD#  ) (resid  25 and name HA   )    0.000    0.000    5.000

assign (resid  25 and name HD#  ) (resid  25 and name HB#  )    0.000    0.000    5.000

assign (resid  25 and name HN   ) (resid  25 and name HG#  )    3.500    3.500    0.000

assign (resid  26 and name HA#  ) (resid  23 and name HA   )    5.000    5.000    0.000

assign (resid  26 and name HA#  ) (resid  25 and name HN   )    0.000    0.000    5.000

assign (resid  26 and name HN   ) (resid  25 and name HE#  )    6.000    6.000    0.000

assign (resid  26 and name HN   ) (resid  25 and name HG#  )    5.000    5.000    0.000

assign (resid  26 and name HN   ) (resid  27 and name HN   )    5.000    5.000    0.000

assign (resid  27 and name HA   ) (resid  22 and name HA   )    6.000    6.000    0.000

assign (resid  27 and name HA   ) (resid  26 and name HA#  )    0.000    0.000    5.000

assign (resid  27 and name HA   ) (resid  26 and name HN   )    0.000    0.000    5.000

assign (resid  27 and name HB2  ) (resid  28 and name HN   )    5.000    5.000    0.000

assign (resid  27 and name HB2  ) (resid  29 and name HN   )    5.000    5.000    0.000

assign (resid  27 and name HG#  ) (resid  27 and name HA   )    0.000    0.000    5.000

assign (resid  27 and name HN   ) (resid  23 and name HA   )    0.000    0.000    5.000

assign (resid  28 and name HB1  ) (resid  28 and name HN   )    3.500    3.500    0.000

assign (resid  28 and name HB2  ) (resid  28 and name HG#  )    5.000    5.000    0.000

assign (resid  28 and name HG#  ) (resid  28 and name HA   )    0.000    0.000    3.500

assign (resid  28 and name HG#  ) (resid  28 and name HB1  )    3.500    3.500    0.000

assign (resid  29 and name HA   ) (resid  30 and name HA   )    5.000    5.000    0.000

assign (resid  29 and name HD#  ) (resid  29 and name HA   )    0.000    0.000    5.000

assign (resid  29 and name HD#  ) (resid  29 and name HB2  )    0.000    0.000    5.000

assign (resid  29 and name HG#  ) (resid  29 and name HA   )    0.000    0.000    5.000

assign (resid  29 and name HG#  ) (resid  29 and name HD#  )    0.000    0.000    5.000

assign (resid  29 and name HN   ) (resid  22 and name HB1  )    5.000    5.000    0.000

assign (resid  29 and name HN   ) (resid  28 and name HB2  )    5.000    5.000    0.000

assign (resid  29 and name HN   ) (resid  29 and name HG#  )    0.000    0.000    5.000

assign (resid  29 and name HN   ) (resid  31 and name HD1# )    6.000    6.000    0.000

assign (resid  30 and name HA   ) (resid  48 and name HB   )    5.000    5.000    0.000

assign (resid  30 and name HB#  ) (resid  29 and name HA   )    0.000    0.000    5.000

assign (resid  30 and name HB#  ) (resid  30 and name HA   )    0.000    0.000    5.000

assign (resid  30 and name HD#  ) (resid  29 and name HA   )    6.000    6.000    0.000

assign (resid  30 and name HD#  ) (resid  30 and name HA   )    0.000    0.000    5.000

assign (resid  30 and name HD#  ) (resid  30 and name HB#  )    5.000    5.000    0.000

assign (resid  30 and name HG   ) (resid  30 and name HD#  )    0.000    0.000    5.000

assign (resid  30 and name HN   ) (resid  29 and name HB1  )    0.000    0.000    3.500

assign (resid  31 and name HA   ) (resid  31 and name HD1# )    5.000    5.000    0.000

assign (resid  31 and name HB   ) (resid  19 and name HG#  )    5.000    5.000    0.000

assign (resid  31 and name HD1# ) (resid  31 and name HB   )    0.000    0.000    5.000

assign (resid  31 and name HD1# ) (resid  49 and name HA   )    6.000    6.000    0.000

assign (resid  31 and name HG2# ) (resid  31 and name HA   )    5.000    5.000    0.000

assign (resid  31 and name HG2# ) (resid  31 and name HB   )    5.000    5.000    0.000

assign (resid  31 and name HG2# ) (resid  31 and name HD1# )    0.000    0.000    5.000

assign (resid  31 and name HG2# ) (resid  31 and name HN   )    5.000    5.000    0.000

assign (resid  31 and name HN   ) (resid  30 and name HB#  )    0.000    0.000    5.000

assign (resid  31 and name HN   ) (resid  30 and name HD#  )    5.000    5.000    0.000

assign (resid  31 and name HN   ) (resid  30 and name HG   )    0.000    0.000    3.500

assign (resid  31 and name HN   ) (resid  32 and name HD#  )    5.000    5.000    0.000

assign (resid  31 and name HN   ) (resid  47 and name HB1  )    5.000    5.000    0.000

assign (resid  31 and name HN   ) (resid  50 and name HB#  )    6.000    6.000    0.000

assign (resid  32 and name HA   ) (resid  30 and name HD#  )    5.000    5.000    0.000

assign (resid  32 and name HB#  ) (resid  32 and name HA   )    0.000    0.000    5.000

assign (resid  32 and name HB#  ) (resid  32 and name HG#  )    5.000    5.000    0.000

assign (resid  32 and name HD#  ) (resid  32 and name HB#  )    0.000    0.000    5.000

assign (resid  32 and name HG#  ) (resid  32 and name HA   )    0.000    0.000    5.000

assign (resid  32 and name HN   ) (resid  30 and name HG   )    5.000    5.000    0.000

assign (resid  32 and name HN   ) (resid  31 and name HG2# )    3.500    3.500    0.000

assign (resid  32 and name HN   ) (resid  32 and name HD#  )    0.000    0.000    3.500

assign (resid  33 and name HG2# ) (resid  33 and name HA   )    0.000    0.000    5.000

assign (resid  33 and name HG2# ) (resid  33 and name HB   )    0.000    0.000    5.000

assign (resid  33 and name HG2# ) (resid  52 and name HN   )    5.000    5.000    0.000

assign (resid  33 and name HN   ) (resid  57 and name HB1  )    5.000    5.000    0.000

assign (resid  34 and name HD1  ) (resid  34 and name HA   )    0.000    0.000    5.000

assign (resid  34 and name HD1  ) (resid  34 and name HN   )    6.000    6.000    0.000

assign (resid  34 and name HD1  ) (resid  52 and name HD#  )    5.000    5.000    0.000

assign (resid  34 and name HE3  ) (resid  33 and name HA   )    0.000    0.000    5.000

assign (resid  34 and name HE3  ) (resid  34 and name HA   )    5.000    5.000    0.000

assign (resid  34 and name HE3  ) (resid  52 and name HB#  )    6.000    6.000    0.000

assign (resid  35 and name HN   ) (resid  33 and name HA   )    0.000    0.000    5.000

assign (resid  36 and name HA   ) (resid  36 and name HB#  )    5.000    5.000    0.000

assign (resid  36 and name HA   ) (resid  52 and name HE#  )    5.000    5.000    0.000

assign (resid  36 and name HG#  ) (resid  36 and name HA   )    0.000    0.000    5.000

assign (resid  37 and name HA   ) (resid  37 and name HB#  )    5.000    5.000    0.000

assign (resid  37 and name HD#  ) (resid  37 and name HA   )    6.000    6.000    0.000

assign (resid  38 and name HA   ) (resid  11 and name HA   )    0.000    0.000    5.000

assign (resid  38 and name HN   ) (resid  36 and name HA   )    5.000    5.000    0.000

assign (resid  39 and name HG2# ) (resid  11 and name HG#  )    5.000    5.000    0.000

assign (resid  39 and name HG2# ) (resid  39 and name HA   )    0.000    0.000    3.500

assign (resid  39 and name HG2# ) (resid  39 and name HB   )    0.000    0.000    5.000

assign (resid  40 and name HD1# ) (resid  40 and name HA   )    0.000    0.000    5.000

assign (resid  40 and name HD1# ) (resid  40 and name HB   )    5.000    5.000    0.000

assign (resid  40 and name HD1# ) (resid  67 and name HA   )    5.000    5.000    0.000

assign (resid  40 and name HG2# ) (resid  40 and name HA   )    0.000    0.000    5.000

assign (resid  40 and name HG2# ) (resid  40 and name HB   )    0.000    0.000    3.500

assign (resid  40 and name HG2# ) (resid  40 and name HD1# )    0.000    0.000    5.000

assign (resid  40 and name HG2# ) (resid  40 and name HG1# )    0.000    0.000    5.000

assign (resid  40 and name HG2# ) (resid  62 and name HD1# )    3.500    3.500    0.000

assign (resid  40 and name HN   ) (resid  40 and name HG2# )    5.000    5.000    0.000

assign (resid  41 and name HA   ) (resid  42 and name HB#  )    5.000    5.000    0.000

assign (resid  41 and name HA   ) (resid  68 and name HN   )    5.000    5.000    0.000

assign (resid  41 and name HB   ) (resid  42 and name HB#  )    5.000    5.000    0.000

assign (resid  41 and name HG#  ) (resid  41 and name HA   )    0.000    0.000    3.500

assign (resid  41 and name HG#  ) (resid  41 and name HB   )    0.000    0.000    5.000

assign (resid  41 and name HG#  ) (resid  42 and name HD#  )    5.000    5.000    0.000

assign (resid  42 and name HA   ) (resid  41 and name HA   )    0.000    0.000    5.000

assign (resid  42 and name HA   ) (resid  41 and name HB   )    5.000    5.000    0.000

assign (resid  42 and name HA   ) (resid  44 and name HN   )    3.500    3.500    0.000

assign (resid  42 and name HA   ) (resid  45 and name HN   )    5.000    5.000    0.000

assign (resid  42 and name HB#  ) (resid  42 and name HA   )    0.000    0.000    5.000

assign (resid  42 and name HD#  ) (resid  41 and name HA   )    0.000    0.000    3.500

assign (resid  42 and name HD#  ) (resid  41 and name HB   )    0.000    0.000    3.500

assign (resid  42 and name HD#  ) (resid  42 and name HA   )    0.000    0.000    5.000

assign (resid  42 and name HD#  ) (resid  42 and name HB#  )    0.000    0.000    3.500

assign (resid  42 and name HG#  ) (resid  41 and name HA   )    0.000    0.000    5.000

assign (resid  42 and name HG#  ) (resid  41 and name HB   )    0.000    0.000    5.000

assign (resid  42 and name HG#  ) (resid  42 and name HA   )    0.000    0.000    5.000

assign (resid  42 and name HG#  ) (resid  42 and name HB#  )    0.000    0.000    5.000

assign (resid  42 and name HG#  ) (resid  42 and name HD#  )    0.000    0.000    5.000

assign (resid  43 and name HA   ) (resid  41 and name HB   )    5.000    5.000    0.000

assign (resid  43 and name HB#  ) (resid  43 and name HA   )    0.000    0.000    3.500

assign (resid  43 and name HG#  ) (resid  19 and name HG#  )    5.000    5.000    0.000

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assign (resid  74 and name HD#  ) (resid  74 and name HN   )    5.000    5.000    0.000

assign (resid  74 and name HE#  ) (resid  40 and name HD1# )    5.000    5.000    0.000

assign (resid  74 and name HE#  ) (resid  60 and name HB   )    0.000    0.000    5.000

assign (resid  74 and name HE#  ) (resid  60 and name HG#  )    6.000    6.000    0.000

assign (resid  74 and name HE#  ) (resid  62 and name HB   )    5.000    5.000    0.000

assign (resid  74 and name HE#  ) (resid  62 and name HD1# )    6.000    6.000    0.000

assign (resid  74 and name HE#  ) (resid  66 and name HB2  )    0.000    0.000    5.000

assign (resid  74 and name HE#  ) (resid  69 and name HB2  )    5.000    5.000    0.000

assign (resid  74 and name HE#  ) (resid  69 and name HN   )    0.000    0.000    5.000

assign (resid  74 and name HE#  ) (resid  71 and name HA   )    0.000    0.000    5.000

assign (resid  74 and name HE#  ) (resid  73 and name HB2  )    5.000    5.000    0.000

assign (resid  74 and name HE#  ) (resid  74 and name HB1  )    0.000    0.000    5.000

assign (resid  74 and name HE#  ) (resid  74 and name HD#  )    0.000    0.000    5.000

assign (resid  74 and name HN   ) (resid  70 and name HD#  )    6.000    6.000    0.000

assign (resid  74 and name HZ   ) (resid  40 and name HB   )    5.000    5.000    0.000

assign (resid  74 and name HZ   ) (resid  74 and name HE#  )    0.000    0.000    3.500

assign (resid  75 and name HB#  ) (resid  74 and name HB2  )    6.000    6.000    0.000

assign (resid  75 and name HB#  ) (resid  75 and name HA   )    0.000    0.000    5.000

assign (resid  76 and name HA   ) (resid  75 and name HA   )    5.000    5.000    0.000

assign (resid  76 and name HA   ) (resid  77 and name HA   )    6.000    6.000    0.000

assign (resid  76 and name HB#  ) (resid  75 and name HA   )    6.000    6.000    0.000

assign (resid  76 and name HB#  ) (resid  76 and name HA   )    0.000    0.000    3.500

assign (resid  76 and name HD#  ) (resid  74 and name HA   )    0.000    0.000    5.000

assign (resid  76 and name HD#  ) (resid  75 and name HA   )    0.000    0.000    3.500

assign (resid  76 and name HD#  ) (resid  75 and name HB#  )    0.000    0.000    5.000

assign (resid  76 and name HD#  ) (resid  76 and name HA   )    0.000    0.000    5.000

assign (resid  76 and name HD#  ) (resid  76 and name HB#  )    0.000    0.000    5.000

assign (resid  76 and name HG#  ) (resid  75 and name HA   )    0.000    0.000    5.000

assign (resid  76 and name HG#  ) (resid  76 and name HA   )    0.000    0.000    5.000

assign (resid  76 and name HG#  ) (resid  76 and name HB#  )    0.000    0.000    5.000

assign (resid  76 and name HG#  ) (resid  76 and name HD#  )    0.000    0.000    5.000

assign (resid  77 and name HG2# ) (resid  77 and name HA   )    0.000    0.000    5.000

assign (resid  77 and name HG2# ) (resid  77 and name HB   )    5.000    5.000    0.000

assign (resid  77 and name HG2# ) (resid  78 and name HB#  )    6.000    6.000    0.000

assign (resid  77 and name HN   ) (resid  75 and name HB#  )    0.000    0.000    6.000

assign (resid  78 and name HA   ) (resid  78 and name HB#  )    5.000    5.000    0.000

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assign (resid   9 and name HN   ) (resid   9 and name HG#  )    0.000    0.000    3.500

assign (resid  10 and name HN   ) (resid   9 and name HA   )    0.000    0.000    3.500

assign (resid  10 and name HN   ) (resid   9 and name HB   )    5.000    5.000    0.000

assign (resid  10 and name HN   ) (resid   9 and name HG#  )    0.000    0.000    5.000

assign (resid  10 and name HN   ) (resid   9 and name HN   )    0.000    0.000    5.000

assign (resid  10 and name HN   ) (resid  10 and name HB2  )    0.000    0.000    3.500

assign (resid  10 and name HN   ) (resid  10 and name HD#  )    0.000    0.000    5.000

assign (resid  10 and name HN   ) (resid  39 and name HB   )    5.000    5.000    0.000

assign (resid  10 and name HN   ) (resid  39 and name HG2# )    6.000    6.000    0.000

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assign (resid  11 and name HN   ) (resid  10 and name HB1  )    0.000    0.000    5.000

assign (resid  11 and name HN   ) (resid  10 and name HN   )    0.000    0.000    5.000

assign (resid  11 and name HN   ) (resid  11 and name HB   )    3.500    3.500    0.000

assign (resid  11 and name HN   ) (resid  12 and name HA   )    5.000    5.000    0.000

assign (resid  12 and name HN   ) (resid  10 and name HZ   )    0.000    0.000    5.000

assign (resid  12 and name HN   ) (resid  11 and name HA   )    0.000    0.000    3.500

assign (resid  12 and name HN   ) (resid  11 and name HB   )    0.000    0.000    5.000

assign (resid  12 and name HN   ) (resid  11 and name HN   )    0.000    0.000    5.000

assign (resid  12 and name HN   ) (resid  12 and name HA   )    0.000    0.000    2.700

assign (resid  12 and name HN   ) (resid  12 and name HB#  )    0.000    0.000    3.500

assign (resid  12 and name HN   ) (resid  13 and name HN   )    0.000    0.000    5.000

assign (resid  12 and name HN   ) (resid  38 and name HA   )    0.000    0.000    5.000

assign (resid  13 and name HN   ) (resid  10 and name HZ   )    0.000    0.000    5.000

assign (resid  13 and name HN   ) (resid  12 and name HB#  )    0.000    0.000    5.000

assign (resid  13 and name HN   ) (resid  13 and name HA   )    0.000    0.000    2.700

assign (resid  13 and name HN   ) (resid  13 and name HB#  )    0.000    0.000    3.500

assign (resid  13 and name HN   ) (resid  14 and name HB#  )    5.000    5.000    0.000

assign (resid  14 and name HN   ) (resid  13 and name HA   )    3.500    3.500    0.000

assign (resid  14 and name HN   ) (resid  13 and name HB#  )    3.500    3.500    0.000

assign (resid  14 and name HN   ) (resid  13 and name HN   )    0.000    0.000    3.500

assign (resid  14 and name HN   ) (resid  15 and name HB#  )    5.000    5.000    0.000

assign (resid  14 and name HN   ) (resid  17 and name HB#  )    6.000    6.000    0.000

assign (resid  15 and name HN   ) (resid  12 and name HB#  )    0.000    0.000    5.000

assign (resid  15 and name HN   ) (resid  13 and name HA   )    5.000    5.000    0.000

assign (resid  15 and name HN   ) (resid  13 and name HN   )    5.000    5.000    0.000

assign (resid  15 and name HN   ) (resid  14 and name HA   )    3.500    3.500    0.000

assign (resid  15 and name HN   ) (resid  14 and name HB#  )    3.500    3.500    0.000

assign (resid  15 and name HN   ) (resid  15 and name HB#  )    0.000    0.000    3.500

assign (resid  15 and name HN   ) (resid  15 and name HG   )    0.000    0.000    3.500

assign (resid  15 and name HN   ) (resid  16 and name HA   )    5.000    5.000    0.000

assign (resid  15 and name HN   ) (resid  16 and name HD#  )    5.000    5.000    0.000

assign (resid  15 and name HN   ) (resid  18 and name HN   )    5.000    5.000    0.000

assign (resid  16 and name HN   ) (resid  12 and name HB#  )    5.000    5.000    0.000

assign (resid  16 and name HN   ) (resid  13 and name HA   )    5.000    5.000    0.000

assign (resid  16 and name HN   ) (resid  15 and name HA   )    5.000    5.000    0.000

assign (resid  16 and name HN   ) (resid  15 and name HB#  )    3.500    3.500    0.000

assign (resid  16 and name HN   ) (resid  16 and name HB1  )    3.500    3.500    0.000

assign (resid  16 and name HN   ) (resid  16 and name HD#  )    0.000    0.000    5.000

assign (resid  16 and name HN   ) (resid  16 and name HG   )    0.000    0.000    3.500

assign (resid  16 and name HN   ) (resid  18 and name HN   )    5.000    5.000    0.000

assign (resid  16 and name HN   ) (resid  31 and name HG2# )    5.000    5.000    0.000

assign (resid  17 and name HN   ) (resid  13 and name HA   )    5.000    5.000    0.000

assign (resid  17 and name HN   ) (resid  14 and name HA   )    3.500    3.500    0.000

assign (resid  17 and name HN   ) (resid  15 and name HA   )    5.000    5.000    0.000

assign (resid  17 and name HN   ) (resid  16 and name HA   )    5.000    5.000    0.000

assign (resid  17 and name HN   ) (resid  16 and name HB1  )    0.000    0.000    3.500

assign (resid  17 and name HN   ) (resid  16 and name HD#  )    5.000    5.000    0.000

assign (resid  17 and name HN   ) (resid  16 and name HG   )    5.000    5.000    0.000

assign (resid  17 and name HN   ) (resid  17 and name HB#  )    0.000    0.000    3.500

assign (resid  17 and name HN   ) (resid  17 and name HG#  )    0.000    0.000    3.500

assign (resid  17 and name HN   ) (resid  19 and name HN   )    0.000    0.000    5.000

assign (resid  18 and name HN   ) (resid  14 and name HA   )    0.000    0.000    5.000

assign (resid  18 and name HN   ) (resid  17 and name HA   )    0.000    0.000    3.500

assign (resid  18 and name HN   ) (resid  17 and name HB#  )    5.000    5.000    0.000

assign (resid  18 and name HN   ) (resid  17 and name HG#  )    0.000    0.000    5.000

assign (resid  18 and name HN   ) (resid  17 and name HN   )    0.000    0.000    3.500

assign (resid  18 and name HN   ) (resid  18 and name HB1  )    3.500    3.500    0.000

assign (resid  18 and name HN   ) (resid  19 and name HB   )    5.000    5.000    0.000

assign (resid  18 and name HN   ) (resid  19 and name HG#  )    0.000    0.000    5.000

assign (resid  18 and name HN   ) (resid  31 and name HG2# )    5.000    5.000    0.000

assign (resid  19 and name HN   ) (resid  16 and name HA   )    0.000    0.000    5.000

assign (resid  19 and name HN   ) (resid  16 and name HN   )    0.000    0.000    5.000

assign (resid  19 and name HN   ) (resid  17 and name HG#  )    5.000    5.000    0.000

assign (resid  19 and name HN   ) (resid  18 and name HA   )    0.000    0.000    5.000

assign (resid  19 and name HN   ) (resid  18 and name HB2  )    0.000    0.000    3.500

assign (resid  19 and name HN   ) (resid  18 and name HN   )    0.000    0.000    3.500

assign (resid  19 and name HN   ) (resid  19 and name HB   )    0.000    0.000    3.500

assign (resid  19 and name HN   ) (resid  19 and name HG#  )    0.000    0.000    3.500

assign (resid  19 and name HN   ) (resid  31 and name HG2# )    5.000    5.000    0.000

assign (resid  20 and name HN   ) (resid  16 and name HA   )    0.000    0.000    5.000

assign (resid  20 and name HN   ) (resid  17 and name HA   )    0.000    0.000    5.000

assign (resid  20 and name HN   ) (resid  17 and name HN   )    0.000    0.000    5.000

assign (resid  20 and name HN   ) (resid  18 and name HN   )    0.000    0.000    5.000

assign (resid  20 and name HN   ) (resid  19 and name HA   )    0.000    0.000    5.000

assign (resid  20 and name HN   ) (resid  19 and name HB   )    0.000    0.000    3.500

assign (resid  20 and name HN   ) (resid  19 and name HG#  )    0.000    0.000    5.000

assign (resid  20 and name HN   ) (resid  19 and name HN   )    0.000    0.000    3.500

assign (resid  20 and name HN   ) (resid  20 and name HB#  )    0.000    0.000    5.000

assign (resid  20 and name HN   ) (resid  20 and name HD#  )    0.000    0.000    5.000

assign (resid  20 and name HN   ) (resid  20 and name HG   )    0.000    0.000    2.700

assign (resid  20 and name HN   ) (resid  21 and name HB#  )    0.000    0.000    5.000

assign (resid  21 and name HN   ) (resid  17 and name HA   )    5.000    5.000    0.000

assign (resid  21 and name HN   ) (resid  18 and name HA   )    5.000    5.000    0.000

assign (resid  21 and name HN   ) (resid  18 and name HN   )    0.000    0.000    5.000

assign (resid  21 and name HN   ) (resid  19 and name HA   )    0.000    0.000    5.000

assign (resid  21 and name HN   ) (resid  19 and name HG#  )    0.000    0.000    6.000

assign (resid  21 and name HN   ) (resid  19 and name HN   )    0.000    0.000    5.000

assign (resid  21 and name HN   ) (resid  20 and name HA   )    0.000    0.000    3.500

assign (resid  21 and name HN   ) (resid  20 and name HB#  )    0.000    0.000    5.000

assign (resid  21 and name HN   ) (resid  20 and name HD#  )    0.000    0.000    5.000

assign (resid  21 and name HN   ) (resid  20 and name HG   )    0.000    0.000    3.500

assign (resid  21 and name HN   ) (resid  20 and name HN   )    0.000    0.000    3.500

assign (resid  21 and name HN   ) (resid  21 and name HB#  )    0.000    0.000    3.500

assign (resid  21 and name HN   ) (resid  21 and name HG#  )    0.000    0.000    5.000

assign (resid  21 and name HN   ) (resid  23 and name HN   )    5.000    5.000    0.000

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assign (resid  22 and name HN   ) (resid  19 and name HG#  )    0.000    0.000    5.000

assign (resid  22 and name HN   ) (resid  20 and name HN   )    5.000    5.000    0.000

assign (resid  22 and name HN   ) (resid  21 and name HB#  )    3.500    3.500    0.000

assign (resid  22 and name HN   ) (resid  21 and name HG#  )    0.000    0.000    5.000

assign (resid  22 and name HN   ) (resid  22 and name HB2  )    0.000    0.000    3.500

assign (resid  22 and name HN   ) (resid  22 and name HD#  )    0.000    0.000    3.500

assign (resid  22 and name HN   ) (resid  23 and name HB#  )    5.000    5.000    0.000

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assign (resid  23 and name HD21 ) (resid  19 and name HG#  )    6.000    6.000    0.000

assign (resid  23 and name HD21 ) (resid  23 and name HB#  )    0.000    0.000    3.500

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assign (resid  23 and name HD21 ) (resid  43 and name HG#  )    5.000    5.000    0.000

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assign (resid  23 and name HD22 ) (resid  23 and name HA   )    5.000    5.000    0.000

assign (resid  23 and name HD22 ) (resid  23 and name HB#  )    0.000    0.000    5.000

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assign (resid  23 and name HN   ) (resid  19 and name HG#  )    0.000    0.000    6.000

assign (resid  23 and name HN   ) (resid  20 and name HA   )    0.000    0.000    5.000

assign (resid  23 and name HN   ) (resid  22 and name HA   )    0.000    0.000    3.500

assign (resid  23 and name HN   ) (resid  22 and name HB2  )    0.000    0.000    3.500

assign (resid  23 and name HN   ) (resid  22 and name HN   )    0.000    0.000    3.500

assign (resid  23 and name HN   ) (resid  23 and name HB#  )    0.000    0.000    3.500

assign (resid  23 and name HN   ) (resid  23 and name HD22 )    0.000    0.000    5.000

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assign (resid  24 and name HN   ) (resid  21 and name HA   )    3.500    3.500    0.000

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assign (resid  25 and name HN   ) (resid  25 and name HB#  )    0.000    0.000    5.000

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assign (resid  61 and name HN   ) (resid  61 and name HB2  )    0.000    0.000    3.500

assign (resid  61 and name HN   ) (resid  61 and name HD#  )    0.000    0.000    5.000

assign (resid  62 and name HN   ) (resid  45 and name HA   )    5.000    5.000    0.000

assign (resid  62 and name HN   ) (resid  46 and name HN   )    0.000    0.000    5.000

assign (resid  62 and name HN   ) (resid  47 and name HB2  )    5.000    5.000    0.000

assign (resid  62 and name HN   ) (resid  47 and name HN   )    0.000    0.000    3.500

assign (resid  62 and name HN   ) (resid  48 and name HA   )    0.000    0.000    3.500

assign (resid  62 and name HN   ) (resid  49 and name HN   )    0.000    0.000    5.000

assign (resid  62 and name HN   ) (resid  60 and name HG#  )    0.000    0.000    5.000

assign (resid  62 and name HN   ) (resid  61 and name HA   )    0.000    0.000    3.500

assign (resid  62 and name HN   ) (resid  61 and name HB1  )    0.000    0.000    5.000

assign (resid  62 and name HN   ) (resid  61 and name HD#  )    0.000    0.000    5.000

assign (resid  62 and name HN   ) (resid  61 and name HE#  )    6.000    6.000    0.000

assign (resid  62 and name HN   ) (resid  61 and name HN   )    0.000    0.000    5.000

assign (resid  62 and name HN   ) (resid  62 and name HB   )    0.000    0.000    3.500

assign (resid  63 and name HN   ) (resid  62 and name HA   )    5.000    5.000    0.000

assign (resid  63 and name HN   ) (resid  62 and name HG2# )    5.000    5.000    0.000

assign (resid  63 and name HN   ) (resid  63 and name HG2# )    0.000    0.000    5.000

assign (resid  63 and name HN   ) (resid  66 and name HN   )    0.000    0.000    5.000

assign (resid  64 and name HN   ) (resid  45 and name HG#  )    0.000    0.000    3.500

assign (resid  64 and name HN   ) (resid  62 and name HG2# )    0.000    0.000    6.000

assign (resid  64 and name HN   ) (resid  63 and name HA   )    0.000    0.000    3.500

assign (resid  64 and name HN   ) (resid  63 and name HG2# )    0.000    0.000    5.000

assign (resid  64 and name HN   ) (resid  63 and name HN   )    0.000    0.000    5.000

assign (resid  64 and name HN   ) (resid  64 and name HB#  )    0.000    0.000    3.500

assign (resid  64 and name HN   ) (resid  64 and name HG#  )    0.000    0.000    5.000

assign (resid  64 and name HN   ) (resid  65 and name HB#  )    0.000    0.000    6.000

assign (resid  64 and name HN   ) (resid  66 and name HN   )    0.000    0.000    5.000

assign (resid  65 and name HD2# ) (resid  65 and name HA   )    0.000    0.000    6.000

assign (resid  65 and name HD2# ) (resid  65 and name HB#  )    0.000    0.000    5.000

assign (resid  65 and name HN   ) (resid  45 and name HG#  )    6.000    6.000    0.000

assign (resid  65 and name HN   ) (resid  64 and name HA   )    0.000    0.000    5.000

assign (resid  65 and name HN   ) (resid  64 and name HG#  )    0.000    0.000    5.000

assign (resid  65 and name HN   ) (resid  64 and name HN   )    0.000    0.000    5.000

assign (resid  65 and name HN   ) (resid  65 and name HB#  )    0.000    0.000    5.000

assign (resid  65 and name HN   ) (resid  67 and name HN   )    0.000    0.000    5.000

assign (resid  66 and name HN   ) (resid  65 and name HA   )    0.000    0.000    3.500

assign (resid  66 and name HN   ) (resid  65 and name HB#  )    0.000    0.000    5.000

assign (resid  66 and name HN   ) (resid  65 and name HN   )    0.000    0.000    3.500

assign (resid  66 and name HN   ) (resid  66 and name HB2  )    0.000    0.000    3.500

assign (resid  66 and name HN   ) (resid  66 and name HG#  )    0.000    0.000    3.500

assign (resid  66 and name HN   ) (resid  67 and name HA   )    0.000    0.000    5.000

assign (resid  67 and name HN   ) (resid  40 and name HG2# )    0.000    0.000    5.000

assign (resid  67 and name HN   ) (resid  62 and name HG2# )    0.000    0.000    6.000

assign (resid  67 and name HN   ) (resid  65 and name HA   )    5.000    5.000    0.000

assign (resid  67 and name HN   ) (resid  65 and name HB#  )    0.000    0.000    6.000

assign (resid  67 and name HN   ) (resid  66 and name HA   )    0.000    0.000    3.500

assign (resid  67 and name HN   ) (resid  66 and name HB2  )    0.000    0.000    5.000

assign (resid  67 and name HN   ) (resid  66 and name HG#  )    5.000    5.000    0.000

assign (resid  67 and name HN   ) (resid  66 and name HN   )    0.000    0.000    3.500

assign (resid  67 and name HN   ) (resid  67 and name HB   )    0.000    0.000    2.700

assign (resid  67 and name HN   ) (resid  67 and name HG#  )    0.000    0.000    3.500

assign (resid  68 and name HN   ) (resid  39 and name HG2# )    0.000    0.000    5.000

assign (resid  68 and name HN   ) (resid  40 and name HB   )    0.000    0.000    3.500

assign (resid  68 and name HN   ) (resid  40 and name HG2# )    0.000    0.000    5.000

assign (resid  68 and name HN   ) (resid  40 and name HN   )    0.000    0.000    5.000

assign (resid  68 and name HN   ) (resid  67 and name HA   )    0.000    0.000    3.500

assign (resid  68 and name HN   ) (resid  67 and name HG#  )    0.000    0.000    5.000

assign (resid  68 and name HN   ) (resid  67 and name HN   )    0.000    0.000    5.000

assign (resid  68 and name HN   ) (resid  68 and name HA#  )    0.000    0.000    3.500

assign (resid  68 and name HN   ) (resid  69 and name HA   )    0.000    0.000    5.000

assign (resid  68 and name HN   ) (resid  69 and name HB2  )    5.000    5.000    0.000

assign (resid  68 and name HN   ) (resid  69 and name HD2  )    0.000    0.000    5.000

assign (resid  69 and name HN   ) (resid  39 and name HG2# )    0.000    0.000    5.000

assign (resid  69 and name HN   ) (resid  40 and name HB   )    3.500    3.500    0.000

assign (resid  69 and name HN   ) (resid  40 and name HD1# )    0.000    0.000    3.500

assign (resid  69 and name HN   ) (resid  40 and name HN   )    0.000    0.000    5.000

assign (resid  69 and name HN   ) (resid  67 and name HA   )    0.000    0.000    5.000

assign (resid  69 and name HN   ) (resid  67 and name HG#  )    0.000    0.000    5.000

assign (resid  69 and name HN   ) (resid  68 and name HA#  )    0.000    0.000    3.500

assign (resid  69 and name HN   ) (resid  68 and name HN   )    0.000    0.000    3.500

assign (resid  69 and name HN   ) (resid  69 and name HB2  )    3.500    3.500    0.000

assign (resid  69 and name HN   ) (resid  69 and name HD2  )    0.000    0.000    3.500

assign (resid  69 and name HN   ) (resid  73 and name HN   )    5.000    5.000    0.000

assign (resid  70 and name HN   ) (resid  39 and name HG2# )    0.000    0.000    6.000

assign (resid  70 and name HN   ) (resid  40 and name HD1# )    6.000    6.000    0.000

assign (resid  70 and name HN   ) (resid  40 and name HN   )    0.000    0.000    5.000

assign (resid  70 and name HN   ) (resid  69 and name HA   )    0.000    0.000    5.000

assign (resid  70 and name HN   ) (resid  69 and name HB1  )    3.500    3.500    0.000

assign (resid  70 and name HN   ) (resid  69 and name HD2  )    0.000    0.000    5.000

assign (resid  70 and name HN   ) (resid  69 and name HN   )    0.000    0.000    5.000

assign (resid  70 and name HN   ) (resid  70 and name HB#  )    5.000    5.000    0.000

assign (resid  70 and name HN   ) (resid  70 and name HD#  )    0.000    0.000    5.000

assign (resid  70 and name HN   ) (resid  70 and name HG#  )    0.000    0.000    3.500

assign (resid  70 and name HN   ) (resid  73 and name HG#  )    0.000    0.000    5.000

assign (resid  70 and name HN   ) (resid  74 and name HD#  )    0.000    0.000    5.000

assign (resid  70 and name HN   ) (resid  74 and name HE#  )    0.000    0.000    5.000

assign (resid  70 and name HN   ) (resid  74 and name HZ   )    5.000    5.000    0.000

assign (resid  71 and name HN   ) (resid  39 and name HG2# )    6.000    6.000    0.000

assign (resid  71 and name HN   ) (resid  40 and name HN   )    0.000    0.000    5.000

assign (resid  71 and name HN   ) (resid  69 and name HB2  )    0.000    0.000    5.000

assign (resid  71 and name HN   ) (resid  70 and name HA   )    0.000    0.000    3.500

assign (resid  71 and name HN   ) (resid  70 and name HD#  )    0.000    0.000    5.000

assign (resid  71 and name HN   ) (resid  70 and name HN   )    0.000    0.000    5.000

assign (resid  71 and name HN   ) (resid  71 and name HB#  )    0.000    0.000    5.000

assign (resid  71 and name HN   ) (resid  71 and name HG   )    0.000    0.000    3.500

assign (resid  71 and name HN   ) (resid  72 and name HA#  )    0.000    0.000    5.000

assign (resid  71 and name HN   ) (resid  74 and name HN   )    0.000    0.000    5.000

assign (resid  72 and name HN   ) (resid  69 and name HB2  )    3.500    3.500    0.000

assign (resid  72 and name HN   ) (resid  70 and name HA   )    5.000    5.000    0.000

assign (resid  72 and name HN   ) (resid  70 and name HD#  )    5.000    5.000    0.000

assign (resid  72 and name HN   ) (resid  71 and name HA   )    0.000    0.000    5.000

assign (resid  72 and name HN   ) (resid  71 and name HB#  )    5.000    5.000    0.000

assign (resid  72 and name HN   ) (resid  71 and name HG   )    0.000    0.000    3.500

assign (resid  72 and name HN   ) (resid  71 and name HN   )    0.000    0.000    3.500

assign (resid  72 and name HN   ) (resid  72 and name HA#  )    0.000    0.000    3.500

assign (resid  72 and name HN   ) (resid  73 and name HG#  )    5.000    5.000    0.000

assign (resid  72 and name HN   ) (resid  75 and name HB#  )    6.000    6.000    0.000

assign (resid  73 and name HN   ) (resid  69 and name HB1  )    0.000    0.000    5.000

assign (resid  73 and name HN   ) (resid  70 and name HN   )    0.000    0.000    5.000

assign (resid  73 and name HN   ) (resid  71 and name HN   )    0.000    0.000    5.000

assign (resid  73 and name HN   ) (resid  72 and name HA#  )    0.000    0.000    5.000

assign (resid  73 and name HN   ) (resid  72 and name HN   )    0.000    0.000    3.500

assign (resid  73 and name HN   ) (resid  73 and name HB2  )    0.000    0.000    3.500

assign (resid  73 and name HN   ) (resid  73 and name HG#  )    0.000    0.000    3.500

assign (resid  73 and name HN   ) (resid  74 and name HA   )    0.000    0.000    5.000

assign (resid  73 and name HN   ) (resid  74 and name HB2  )    0.000    0.000    5.000

assign (resid  73 and name HN   ) (resid  75 and name HB#  )    0.000    0.000    6.000

assign (resid  74 and name HN   ) (resid  71 and name HA   )    0.000    0.000    3.500

assign (resid  74 and name HN   ) (resid  71 and name HD#  )    6.000    6.000    0.000

assign (resid  74 and name HN   ) (resid  72 and name HA#  )    0.000    0.000    5.000

assign (resid  74 and name HN   ) (resid  72 and name HN   )    0.000    0.000    5.000

assign (resid  74 and name HN   ) (resid  73 and name HA   )    0.000    0.000    3.500

assign (resid  74 and name HN   ) (resid  73 and name HB2  )    0.000    0.000    3.500

assign (resid  74 and name HN   ) (resid  73 and name HG#  )    0.000    0.000    5.000

assign (resid  74 and name HN   ) (resid  73 and name HN   )    0.000    0.000    3.500

assign (resid  74 and name HN   ) (resid  74 and name HB2  )    0.000    0.000    2.700

assign (resid  74 and name HN   ) (resid  75 and name HA   )    0.000    0.000    5.000

assign (resid  74 and name HN   ) (resid  75 and name HB#  )    0.000    0.000    5.000

assign (resid  74 and name HN   ) (resid  76 and name HD#  )    0.000    0.000    5.000

assign (resid  74 and name HN   ) (resid  76 and name HG#  )    5.000    5.000    0.000

assign (resid  75 and name HN   ) (resid  71 and name HA   )    5.000    5.000    0.000

assign (resid  75 and name HN   ) (resid  71 and name HD#  )    5.000    5.000    0.000

assign (resid  75 and name HN   ) (resid  72 and name HA#  )    0.000    0.000    3.500

assign (resid  75 and name HN   ) (resid  72 and name HN   )    0.000    0.000    5.000

assign (resid  75 and name HN   ) (resid  73 and name HA   )    0.000    0.000    5.000

assign (resid  75 and name HN   ) (resid  73 and name HB2  )    5.000    5.000    0.000

assign (resid  75 and name HN   ) (resid  73 and name HN   )    0.000    0.000    3.500

assign (resid  75 and name HN   ) (resid  74 and name HA   )    0.000    0.000    3.500

assign (resid  75 and name HN   ) (resid  74 and name HB2  )    0.000    0.000    5.000

assign (resid  75 and name HN   ) (resid  74 and name HN   )    0.000    0.000    2.700

assign (resid  75 and name HN   ) (resid  75 and name HB#  )    0.000    0.000    3.500

assign (resid  75 and name HN   ) (resid  76 and name HB#  )    6.000    6.000    0.000

assign (resid  75 and name HN   ) (resid  76 and name HD#  )    3.500    3.500    0.000

assign (resid  75 and name HN   ) (resid  76 and name HG#  )    5.000    5.000    0.000

assign (resid  77 and name HN   ) (resid  75 and name HN   )    5.000    5.000    0.000

assign (resid  77 and name HN   ) (resid  76 and name HA   )    0.000    0.000    2.700

assign (resid  77 and name HN   ) (resid  76 and name HB#  )    0.000    0.000    5.000

assign (resid  77 and name HN   ) (resid  76 and name HD#  )    0.000    0.000    5.000

assign (resid  77 and name HN   ) (resid  76 and name HG#  )    0.000    0.000    5.000

assign (resid  77 and name HN   ) (resid  77 and name HB   )    0.000    0.000    3.500

assign (resid  77 and name HN   ) (resid  77 and name HG2# )    0.000    0.000    5.000

assign (resid  78 and name HN   ) (resid  77 and name HA   )    0.000    0.000    3.500

assign (resid  78 and name HN   ) (resid  77 and name HB   )    5.000    5.000    0.000

assign (resid  78 and name HN   ) (resid  77 and name HG2# )    0.000    0.000    6.000

assign (resid  78 and name HN   ) (resid  77 and name HN   )    0.000    0.000    5.000

assign (resid  78 and name HN   ) (resid  78 and name HB#  )    0.000    0.000    5.000



  Entry H atom name         Submitted Coord H atom name
    1    H    GLY   8           HN       GLY   8  46.536 -10.701  -1.488
    2   2HA   GLY   8           HA1      GLY   8  44.797  -8.773  -1.757
    3   1HA   GLY   8           HA2      GLY   8  45.122  -8.986  -3.478
    4    H    VAL   9           HN       VAL   9  46.620  -8.115  -0.376
    5    HA   VAL   9           HA       VAL   9  48.853  -6.802  -1.887
    6    HB   VAL   9           HB       VAL   9  46.999  -5.238  -1.238
    7   1HG1  VAL   9          HG11      VAL   9  47.866  -5.754   1.616
    8   2HG1  VAL   9          HG12      VAL   9  46.461  -6.539   0.896
    9   3HG1  VAL   9          HG13      VAL   9  46.504  -4.784   1.055
   10   1HG2  VAL   9          HG21      VAL   9  49.539  -4.754   0.344
   11   2HG2  VAL   9          HG22      VAL   9  48.450  -3.537  -0.323
   12   3HG2  VAL   9          HG23      VAL   9  49.419  -4.539  -1.403
   13    H    PHE  10           HN       PHE  10  50.861  -7.107  -0.968
   14    HA   PHE  10           HA       PHE  10  50.999  -8.264   1.791
   15   2HB   PHE  10           HB1      PHE  10  51.720  -9.345  -0.832
   16   1HB   PHE  10           HB2      PHE  10  51.554 -10.179   0.705
   17    HD1  PHE  10           HD1      PHE  10  53.492 -10.470   2.214
   18    HD2  PHE  10           HD2      PHE  10  53.873  -8.465  -1.571
   19    HE1  PHE  10           HE1      PHE  10  55.958 -10.666   2.354
   20    HE2  PHE  10           HE2      PHE  10  56.338  -8.658  -1.426
   21    HZ   PHE  10           HZ       PHE  10  57.388  -9.762   0.540
   22    H    VAL  11           HN       VAL  11  52.816  -7.593   3.003
   23    HA   VAL  11           HA       VAL  11  54.415  -5.367   1.799
   24    HB   VAL  11           HB       VAL  11  52.939  -4.862   3.765
   25   1HG1  VAL  11          HG11      VAL  11  53.403  -7.237   4.758
   26   2HG1  VAL  11          HG12      VAL  11  53.219  -5.875   5.861
   27   3HG1  VAL  11          HG13      VAL  11  54.828  -6.476   5.465
   28   1HG2  VAL  11          HG21      VAL  11  55.916  -4.566   3.815
   29   2HG2  VAL  11          HG22      VAL  11  55.019  -4.094   5.258
   30   3HG2  VAL  11          HG23      VAL  11  54.662  -3.328   3.711
   31    H    ASP  12           HN       ASP  12  56.487  -5.954   1.304
   32    HA   ASP  12           HA       ASP  12  57.642  -8.444   1.745
   33   2HB   ASP  12           HB1      ASP  12  59.111  -5.801   1.611
   34   1HB   ASP  12           HB2      ASP  12  58.394  -6.598   0.210
   35    H    ASP  13           HN       ASP  13  57.717  -9.358   3.770
   36    HA   ASP  13           HA       ASP  13  58.210  -7.967   6.214
   37   2HB   ASP  13           HB1      ASP  13  58.777 -10.882   5.657
   38   1HB   ASP  13           HB2      ASP  13  57.122 -10.270   5.702
   39    H    HIS  14           HN       HIS  14  60.222  -9.318   3.717
   40    HA   HIS  14           HA       HIS  14  62.675  -9.588   5.159
   41   2HB   HIS  14           HB1      HIS  14  62.838  -8.823   2.325
   42   1HB   HIS  14           HB2      HIS  14  61.648 -10.092   2.624
   43    HD1  HIS  14           HD1      HIS  14  65.285  -9.456   2.455
   44    HD2  HIS  14           HD2      HIS  14  62.795 -12.467   3.903
   45    HE1  HIS  14           HE1      HIS  14  66.762 -11.474   2.853
   46    H    LEU  15           HN       LEU  15  61.006  -6.843   3.753
   47    HA   LEU  15           HA       LEU  15  63.320  -5.048   3.863
   48   1HB   LEU  15           HB1      LEU  15  60.842  -5.197   2.562
   49   2HB   LEU  15           HB2      LEU  15  61.967  -3.851   2.482
   50    HG   LEU  15           HG       LEU  15  59.933  -4.056   4.705
   51   1HD1  LEU  15          HD11      LEU  15  60.312  -1.423   4.104
   52   2HD1  LEU  15          HD12      LEU  15  61.889  -2.082   3.673
   53   3HD1  LEU  15          HD13      LEU  15  61.263  -2.293   5.307
   54   1HD2  LEU  15          HD21      LEU  15  58.534  -4.100   2.800
   55   2HD2  LEU  15          HD22      LEU  15  59.604  -3.039   1.883
   56   3HD2  LEU  15          HD23      LEU  15  58.641  -2.388   3.209
   57    H    LEU  16           HN       LEU  16  60.443  -5.799   5.784
   58    HA   LEU  16           HA       LEU  16  60.675  -3.736   7.743
   59   2HB   LEU  16           HB1      LEU  16  59.480  -5.727   9.086
   60   1HB   LEU  16           HB2      LEU  16  59.368  -6.401   7.457
   61    HG   LEU  16           HG       LEU  16  58.634  -3.539   7.950
   62   1HD1  LEU  16          HD11      LEU  16  58.244  -5.640   5.891
   63   2HD1  LEU  16          HD12      LEU  16  58.548  -3.915   5.700
   64   3HD1  LEU  16          HD13      LEU  16  56.928  -4.484   6.105
   65   1HD2  LEU  16          HD21      LEU  16  57.327  -4.734   9.614
   66   2HD2  LEU  16          HD22      LEU  16  56.893  -5.976   8.439
   67   3HD2  LEU  16          HD23      LEU  16  56.262  -4.338   8.266
   68    H    GLU  17           HN       GLU  17  61.984  -7.045   7.556
   69    HA   GLU  17           HA       GLU  17  63.165  -7.236  10.128
   70   1HB   GLU  17           HB1      GLU  17  62.997  -8.736   7.807
   71   2HB   GLU  17           HB2      GLU  17  63.891  -9.204   9.249
   72   2HG   GLU  17           HG1      GLU  17  65.924  -8.151   8.347
   73   1HG   GLU  17           HG2      GLU  17  65.034  -7.644   6.912
   74    H    LYS  18           HN       LYS  18  64.126  -5.303   7.381
   75    HA   LYS  18           HA       LYS  18  66.793  -4.732   8.597
   76   2HB   LYS  18           HB1      LYS  18  66.966  -3.499   6.311
   77   1HB   LYS  18           HB2      LYS  18  65.477  -4.350   5.908
   78   2HG   LYS  18           HG1      LYS  18  66.823  -6.451   6.804
   79   1HG   LYS  18           HG2      LYS  18  68.221  -5.450   6.409
   80   2HD   LYS  18           HD1      LYS  18  67.740  -5.445   4.135
   81   1HD   LYS  18           HD2      LYS  18  66.015  -5.702   4.393
   82   2HE   LYS  18           HE1      LYS  18  66.414  -8.037   5.008
   83   1HE   LYS  18           HE2      LYS  18  68.169  -7.792   4.905
   84   1HZ   LYS  18           HZ1      LYS  18  67.853  -7.104   2.579
   85   2HZ   LYS  18           HZ2      LYS  18  66.192  -7.441   2.701
   86   3HZ   LYS  18           HZ3      LYS  18  67.329  -8.697   2.831
   87    H    VAL  19           HN       VAL  19  63.658  -3.266   7.870
   88    HA   VAL  19           HA       VAL  19  64.492  -0.519   8.320
   89    HB   VAL  19           HB       VAL  19  62.449  -1.635   7.073
   90   1HG1  VAL  19          HG11      VAL  19  61.540  -2.714   9.104
   91   2HG1  VAL  19          HG12      VAL  19  60.390  -1.567   8.416
   92   3HG1  VAL  19          HG13      VAL  19  61.326  -1.125   9.842
   93   1HG2  VAL  19          HG21      VAL  19  62.370   0.604   6.716
   94   2HG2  VAL  19          HG22      VAL  19  62.900   0.961   8.363
   95   3HG2  VAL  19          HG23      VAL  19  61.195   0.637   8.034
   96    H    LEU  20           HN       LEU  20  63.032  -3.049  10.360
   97    HA   LEU  20           HA       LEU  20  62.458  -1.397  12.631
   98   1HB   LEU  20           HB1      LEU  20  61.629  -3.737  12.205
   99   2HB   LEU  20           HB2      LEU  20  62.307  -3.526  13.816
  100    HG   LEU  20           HG       LEU  20  64.173  -4.412  11.662
  101   1HD1  LEU  20          HD11      LEU  20  65.270  -4.318  13.697
  102   2HD1  LEU  20          HD12      LEU  20  64.673  -5.974  13.774
  103   3HD1  LEU  20          HD13      LEU  20  63.813  -4.687  14.619
  104   1HD2  LEU  20          HD21      LEU  20  62.210  -6.293  13.006
  105   2HD2  LEU  20          HD22      LEU  20  63.453  -6.726  11.834
  106   3HD2  LEU  20          HD23      LEU  20  62.072  -5.750  11.334
  107    H    GLU  21           HN       GLU  21  65.366  -2.870  11.363
  108    HA   GLU  21           HA       GLU  21  67.007  -2.496  13.706
  109   2HB   GLU  21           HB1      GLU  21  68.609  -2.441  11.400
  110   1HB   GLU  21           HB2      GLU  21  67.209  -3.409  10.945
  111   2HG   GLU  21           HG1      GLU  21  68.002  -4.185  13.583
  112   1HG   GLU  21           HG2      GLU  21  69.440  -4.177  12.562
  113    H    LEU  22           HN       LEU  22  66.175  -0.587  10.832
  114    HA   LEU  22           HA       LEU  22  68.036   1.592  11.379
  115   2HB   LEU  22           HB1      LEU  22  66.614   2.669   9.576
  116   1HB   LEU  22           HB2      LEU  22  65.581   1.242   9.626
  117    HG   LEU  22           HG       LEU  22  67.123  -0.080   8.563
  118   1HD1  LEU  22          HD11      LEU  22  66.745   1.975   7.157
  119   2HD1  LEU  22          HD12      LEU  22  68.259   1.137   6.815
  120   3HD1  LEU  22          HD13      LEU  22  68.267   2.612   7.781
  121   1HD2  LEU  22          HD21      LEU  22  69.232   1.607   9.940
  122   2HD2  LEU  22          HD22      LEU  22  69.633   0.379   8.738
  123   3HD2  LEU  22          HD23      LEU  22  68.833  -0.085  10.241
  124    H    ASN  23           HN       ASN  23  64.773   0.755  12.352
  125    HA   ASN  23           HA       ASN  23  64.124   3.455  13.340
  126   2HB   ASN  23           HB1      ASN  23  62.175   1.976  14.320
  127   1HB   ASN  23           HB2      ASN  23  62.846   0.726  13.272
  128   1HD2  ASN  23          HD21      ASN  23  62.089   0.762  11.140
  129   2HD2  ASN  23          HD22      ASN  23  61.365   2.101  10.389
  130    H    ALA  24           HN       ALA  24  65.722   0.604  14.504
  131    HA   ALA  24           HA       ALA  24  65.307   1.156  17.333
  132   1HB   ALA  24           HB1      ALA  24  65.439  -1.131  16.456
  133   2HB   ALA  24           HB2      ALA  24  66.800  -0.833  17.539
  134   3HB   ALA  24           HB3      ALA  24  67.037  -0.792  15.791
  135    H    LYS  25           HN       LYS  25  67.889   1.432  14.898
  136    HA   LYS  25           HA       LYS  25  69.773   2.579  16.866
  137   1HB   LYS  25           HB1      LYS  25  71.322   2.493  14.977
  138   2HB   LYS  25           HB2      LYS  25  69.988   2.220  13.856
  139   2HG   LYS  25           HG1      LYS  25  69.494   0.123  15.306
  140   1HG   LYS  25           HG2      LYS  25  71.133   0.343  15.918
  141   2HD   LYS  25           HD1      LYS  25  72.101  -0.067  13.828
  142   1HD   LYS  25           HD2      LYS  25  70.631   0.363  12.954
  143   2HE   LYS  25           HE1      LYS  25  70.443  -1.937  12.784
  144   1HE   LYS  25           HE2      LYS  25  69.720  -1.763  14.395
  145   1HZ   LYS  25           HZ1      LYS  25  71.536  -3.367  14.434
  146   2HZ   LYS  25           HZ2      LYS  25  71.952  -1.997  15.348
  147   3HZ   LYS  25           HZ3      LYS  25  72.605  -2.217  13.794
  148    H    GLY  26           HN       GLY  26  67.562   3.553  14.340
  149   2HA   GLY  26           HA1      GLY  26  68.086   6.405  14.987
  150   1HA   GLY  26           HA2      GLY  26  66.660   5.784  14.154
  151    H    GLU  27           HN       GLU  27  68.811   4.048  12.595
  152    HA   GLU  27           HA       GLU  27  70.206   6.043  10.962
  153   2HB   GLU  27           HB1      GLU  27  70.477   3.784   9.580
  154   1HB   GLU  27           HB2      GLU  27  69.854   3.069  11.067
  155   2HG   GLU  27           HG1      GLU  27  71.636   4.275  12.339
  156   1HG   GLU  27           HG2      GLU  27  72.288   4.863  10.809
  157    H    LYS  28           HN       LYS  28  69.336   7.094   9.228
  158    HA   LYS  28           HA       LYS  28  66.717   6.155   8.139
  159   2HB   LYS  28           HB1      LYS  28  66.996   8.565   7.072
  160   1HB   LYS  28           HB2      LYS  28  68.227   8.751   8.322
  161   2HG   LYS  28           HG1      LYS  28  66.589   8.198  10.055
  162   1HG   LYS  28           HG2      LYS  28  65.358   7.897   8.828
  163   2HD   LYS  28           HD1      LYS  28  65.638  10.283   8.072
  164   1HD   LYS  28           HD2      LYS  28  66.708  10.541   9.450
  165   2HE   LYS  28           HE1      LYS  28  64.839   9.810  10.968
  166   1HE   LYS  28           HE2      LYS  28  63.777   9.729   9.548
  167   1HZ   LYS  28           HZ1      LYS  28  65.339  12.115  10.419
  168   2HZ   LYS  28           HZ2      LYS  28  63.668  11.907  10.641
  169   3HZ   LYS  28           HZ3      LYS  28  64.307  12.043   9.074
  170    H    ARG  29           HN       ARG  29  68.031   4.397   7.005
  171    HA   ARG  29           HA       ARG  29  69.448   5.421   4.573
  172   2HB   ARG  29           HB1      ARG  29  69.578   2.555   5.298
  173   1HB   ARG  29           HB2      ARG  29  70.215   3.646   6.524
  174   2HG   ARG  29           HG1      ARG  29  71.200   4.633   4.081
  175   1HG   ARG  29           HG2      ARG  29  71.373   2.882   3.974
  176   1HD   ARG  29           HD1      ARG  29  72.205   4.253   6.518
  177   2HD   ARG  29           HD2      ARG  29  73.284   4.323   5.110
  178    HE   ARG  29           HE       ARG  29  72.347   1.814   6.450
  179   1HH1  ARG  29          HH11      ARG  29  75.217   2.412   6.573
  180   2HH1  ARG  29          HH12      ARG  29  75.865   1.552   5.216
  181   1HH2  ARG  29          HH21      ARG  29  72.784   1.163   3.655
  182   2HH2  ARG  29          HH22      ARG  29  74.484   0.843   3.560
  183    H    LEU  30           HN       LEU  30  69.189   2.831   3.230
  184    HA   LEU  30           HA       LEU  30  66.279   2.922   2.533
  185   1HB   LEU  30           HB1      LEU  30  68.205   3.805   0.971
  186   2HB   LEU  30           HB2      LEU  30  66.908   2.846   0.276
  187    HG   LEU  30           HG       LEU  30  68.702   0.900   1.046
  188   1HD1  LEU  30          HD11      LEU  30  67.708   0.703  -1.058
  189   2HD1  LEU  30          HD12      LEU  30  69.378   1.086  -1.479
  190   3HD1  LEU  30          HD13      LEU  30  68.145   2.347  -1.527
  191   1HD2  LEU  30          HD21      LEU  30  70.868   1.785  -0.009
  192   2HD2  LEU  30          HD22      LEU  30  70.487   2.384   1.605
  193   3HD2  LEU  30          HD23      LEU  30  70.182   3.397   0.194
  194    H    ILE  31           HN       ILE  31  65.289   0.908   1.966
  195    HA   ILE  31           HA       ILE  31  66.803  -1.562   2.746
  196    HB   ILE  31           HB       ILE  31  63.918  -0.766   3.315
  197   1HG1  ILE  31          HG11      ILE  31  66.396  -0.369   4.724
  198   2HG1  ILE  31          HG12      ILE  31  65.386  -1.484   5.646
  199   1HG2  ILE  31          HG21      ILE  31  63.498  -2.906   4.070
  200   2HG2  ILE  31          HG22      ILE  31  65.180  -3.187   4.519
  201   3HG2  ILE  31          HG23      ILE  31  64.691  -3.299   2.829
  202   1HD1  ILE  31          HD11      ILE  31  64.753   0.699   6.371
  203   2HD1  ILE  31          HD12      ILE  31  63.476   0.186   5.268
  204   3HD1  ILE  31          HD13      ILE  31  64.713   1.316   4.719
  205    H    LYS  32           HN       LYS  32  67.016  -2.783   0.912
  206    HA   LYS  32           HA       LYS  32  65.319  -2.369  -1.427
  207   2HB   LYS  32           HB1      LYS  32  66.782  -4.339  -2.230
  208   1HB   LYS  32           HB2      LYS  32  67.596  -4.202  -0.672
  209   1HG   LYS  32           HG1      LYS  32  67.219  -1.647  -2.124
  210   2HG   LYS  32           HG2      LYS  32  68.315  -2.792  -2.898
  211   2HD   LYS  32           HD1      LYS  32  69.257  -3.021  -0.416
  212   1HD   LYS  32           HD2      LYS  32  68.563  -1.408  -0.254
  213   2HE   LYS  32           HE1      LYS  32  69.853  -0.707  -2.297
  214   1HE   LYS  32           HE2      LYS  32  70.627  -2.304  -2.302
  215   1HZ   LYS  32           HZ1      LYS  32  71.419  -1.912  -0.074
  216   2HZ   LYS  32           HZ2      LYS  32  70.588  -0.432   0.017
  217   3HZ   LYS  32           HZ3      LYS  32  71.900  -0.609  -1.046
  218    H    THR  33           HN       THR  33  64.028  -4.031  -2.452
  219    HA   THR  33           HA       THR  33  63.156  -6.319  -0.737
  220    HB   THR  33           HB       THR  33  61.498  -4.052  -1.872
  221    HG1  THR  33           HG1      THR  33  61.722  -3.498   0.129
  222   1HG2  THR  33          HG21      THR  33  60.681  -6.828  -1.056
  223   2HG2  THR  33          HG22      THR  33  60.188  -5.903  -2.471
  224   3HG2  THR  33          HG23      THR  33  59.566  -5.473  -0.878
  225    H    TRP  34           HN       TRP  34  62.342  -8.102  -1.996
  226    HA   TRP  34           HA       TRP  34  62.155  -7.761  -4.952
  227   1HB   TRP  34           HB1      TRP  34  63.879  -9.284  -5.430
  228   2HB   TRP  34           HB2      TRP  34  63.833  -9.988  -3.818
  229    HD1  TRP  34           HD1      TRP  34  65.312  -7.121  -5.788
  230    HE1  TRP  34           HE1      TRP  34  67.088  -5.936  -4.337
  231    HE3  TRP  34           HE3      TRP  34  64.427  -9.394  -1.325
  232    HZ2  TRP  34           HZ2      TRP  34  68.009  -5.964  -1.620
  233    HZ3  TRP  34           HZ3      TRP  34  65.759  -8.805   0.684
  234    HH2  TRP  34           HH2      TRP  34  67.544  -7.090   0.542
  235    H    SER  35           HN       SER  35  59.944  -8.280  -3.326
  236    HA   SER  35           HA       SER  35  59.533 -11.234  -3.415
  237   2HB   SER  35           HB1      SER  35  57.308 -10.208  -2.250
  238   1HB   SER  35           HB2      SER  35  58.455  -8.916  -1.907
  239    HG   SER  35           HG       SER  35  59.448 -10.153  -0.549
  240    H    ARG  36           HN       ARG  36  56.810  -9.029  -3.710
  241    HA   ARG  36           HA       ARG  36  56.568  -9.276  -6.620
  242   2HB   ARG  36           HB1      ARG  36  54.527 -10.744  -4.942
  243   1HB   ARG  36           HB2      ARG  36  56.000 -11.549  -5.482
  244   2HG   ARG  36           HG1      ARG  36  55.296 -10.556  -7.834
  245   1HG   ARG  36           HG2      ARG  36  53.693 -10.516  -7.099
  246   2HD   ARG  36           HD1      ARG  36  53.799 -12.670  -8.105
  247   1HD   ARG  36           HD2      ARG  36  54.216 -12.992  -6.410
  248    HE   ARG  36           HE       ARG  36  56.561 -13.123  -7.075
  249   1HH1  ARG  36          HH11      ARG  36  55.460 -15.005  -9.061
  250   2HH1  ARG  36          HH12      ARG  36  56.068 -14.392 -10.562
  251   1HH2  ARG  36          HH21      ARG  36  56.870 -11.269  -9.266
  252   2HH2  ARG  36          HH22      ARG  36  56.868 -12.271 -10.679
  253    H    ARG  37           HN       ARG  37  54.257  -9.130  -3.865
  254    HA   ARG  37           HA       ARG  37  53.045  -6.677  -5.056
  255   1HB   ARG  37           HB1      ARG  37  51.235  -7.193  -3.440
  256   2HB   ARG  37           HB2      ARG  37  52.214  -8.492  -2.761
  257   2HG   ARG  37           HG1      ARG  37  52.136  -8.915  -5.568
  258   1HG   ARG  37           HG2      ARG  37  50.485  -8.554  -5.066
  259   1HD   ARG  37           HD1      ARG  37  52.207 -10.546  -3.561
  260   2HD   ARG  37           HD2      ARG  37  51.185 -11.027  -4.931
  261    HE   ARG  37           HE       ARG  37  50.154  -9.714  -2.432
  262   1HH1  ARG  37          HH11      ARG  37  49.378 -12.382  -2.256
  263   2HH1  ARG  37          HH12      ARG  37  47.939 -12.536  -3.208
  264   1HH2  ARG  37          HH21      ARG  37  48.464  -9.585  -4.964
  265   2HH2  ARG  37          HH22      ARG  37  47.420 -10.949  -4.744
  266    H    SER  38           HN       SER  38  55.690  -6.728  -3.615
  267    HA   SER  38           HA       SER  38  55.907  -5.916  -1.035
  268   2HB   SER  38           HB1      SER  38  57.690  -4.338  -1.965
  269   1HB   SER  38           HB2      SER  38  57.102  -4.779  -3.568
  270    HG   SER  38           HG       SER  38  57.824  -6.765  -3.341
  271    H    THR  39           HN       THR  39  54.884  -4.466   0.218
  272    HA   THR  39           HA       THR  39  53.861  -1.912  -0.985
  273    HB   THR  39           HB       THR  39  52.644  -3.873   0.982
  274    HG1  THR  39           HG1      THR  39  51.870  -4.408  -0.906
  275   1HG2  THR  39          HG21      THR  39  52.005  -0.968   0.505
  276   2HG2  THR  39          HG22      THR  39  52.122  -1.841   2.035
  277   3HG2  THR  39          HG23      THR  39  50.734  -2.097   0.978
  278    H    ILE  40           HN       ILE  40  53.741  -0.119   0.634
  279    HA   ILE  40           HA       ILE  40  56.092  -0.133   2.409
  280    HB   ILE  40           HB       ILE  40  53.920   1.919   1.896
  281   1HG1  ILE  40          HG11      ILE  40  56.348   1.076   0.425
  282   2HG1  ILE  40          HG12      ILE  40  56.166   2.817   0.635
  283   1HG2  ILE  40          HG21      ILE  40  55.613   3.529   2.717
  284   2HG2  ILE  40          HG22      ILE  40  56.669   2.183   3.137
  285   3HG2  ILE  40          HG23      ILE  40  55.126   2.389   3.965
  286   1HD1  ILE  40          HD11      ILE  40  53.647   2.225  -0.086
  287   2HD1  ILE  40          HD12      ILE  40  54.484   0.901  -0.896
  288   3HD1  ILE  40          HD13      ILE  40  54.908   2.569  -1.272
  289    H    VAL  41           HN       VAL  41  55.870   0.701   4.666
  290    HA   VAL  41           HA       VAL  41  53.335  -0.013   6.081
  291    HB   VAL  41           HB       VAL  41  55.463  -0.876   7.731
  292   1HG1  VAL  41          HG11      VAL  41  53.088  -1.786   7.335
  293   2HG1  VAL  41          HG12      VAL  41  54.355  -2.980   7.621
  294   3HG1  VAL  41          HG13      VAL  41  53.776  -2.683   5.982
  295   1HG2  VAL  41          HG21      VAL  41  55.750  -2.070   4.948
  296   2HG2  VAL  41          HG22      VAL  41  56.683  -2.493   6.382
  297   3HG2  VAL  41          HG23      VAL  41  56.876  -0.907   5.641
  298    HA   PRO  42           HA       PRO  42  54.103   3.418   8.629
  299   2HB   PRO  42           HB1      PRO  42  52.591   2.636  10.169
  300   1HB   PRO  42           HB2      PRO  42  54.029   2.481  11.196
  301   1HG   PRO  42           HG1      PRO  42  52.468   0.400  10.712
  302   2HG   PRO  42           HG2      PRO  42  54.232   0.219  10.760
  303   1HD   PRO  42           HD2      PRO  42  53.836  -0.666   8.669
  304   2HD   PRO  42           HD1      PRO  42  52.388   0.333   8.407
  305    H    GLU  43           HN       GLU  43  56.151   0.656   9.416
  306    HA   GLU  43           HA       GLU  43  58.190   2.061  10.868
  307   2HB   GLU  43           HB1      GLU  43  59.477  -0.059   9.815
  308   1HB   GLU  43           HB2      GLU  43  57.818  -0.551   9.478
  309   2HG   GLU  43           HG1      GLU  43  57.445  -1.042  11.650
  310   1HG   GLU  43           HG2      GLU  43  58.088   0.513  12.177
  311    H    MET  44           HN       MET  44  57.315   2.191   7.558
  312    HA   MET  44           HA       MET  44  60.047   2.758   6.561
  313   1HB   MET  44           HB1      MET  44  58.959   2.724   4.408
  314   2HB   MET  44           HB2      MET  44  57.372   2.896   5.147
  315   1HG   MET  44           HG1      MET  44  58.012   0.537   4.392
  316   2HG   MET  44           HG2      MET  44  57.445   0.693   6.053
  317   1HE   MET  44           HE1      MET  44  58.590  -1.807   5.648
  318   2HE   MET  44           HE2      MET  44  58.468  -1.236   7.311
  319   3HE   MET  44           HE3      MET  44  59.949  -2.015   6.760
  320    H    VAL  45           HN       VAL  45  57.744   4.571   8.168
  321    HA   VAL  45           HA       VAL  45  57.369   6.939   6.715
  322    HB   VAL  45           HB       VAL  45  56.223   6.364   8.776
  323   1HG1  VAL  45          HG11      VAL  45  57.514   6.593  10.966
  324   2HG1  VAL  45          HG12      VAL  45  58.987   6.557   9.996
  325   3HG1  VAL  45          HG13      VAL  45  57.897   5.168   9.998
  326   1HG2  VAL  45          HG21      VAL  45  56.071   8.501   9.660
  327   2HG2  VAL  45          HG22      VAL  45  56.898   8.859   8.145
  328   3HG2  VAL  45          HG23      VAL  45  57.817   8.747   9.646
  329    H    GLY  46           HN       GLY  46  60.454   5.810   7.542
  330   2HA   GLY  46           HA1      GLY  46  62.055   7.713   8.543
  331   1HA   GLY  46           HA2      GLY  46  61.582   8.483   7.029
  332    H    HIS  47           HN       HIS  47  61.461   5.947   5.512
  333    HA   HIS  47           HA       HIS  47  64.402   5.546   5.173
  334   1HB   HIS  47           HB1      HIS  47  64.154   3.145   5.258
  335   2HB   HIS  47           HB2      HIS  47  62.399   3.279   5.321
  336    HD1  HIS  47           HD1      HIS  47  65.467   3.584   7.448
  337    HD2  HIS  47           HD2      HIS  47  61.349   4.068   7.851
  338    HE1  HIS  47           HE1      HIS  47  65.006   3.751   9.934
  339    H    THR  48           HN       THR  48  64.987   4.794   3.071
  340    HA   THR  48           HA       THR  48  62.947   5.272   0.965
  341    HB   THR  48           HB       THR  48  65.731   4.820   0.141
  342    HG1  THR  48           HG1      THR  48  66.613   5.828   1.749
  343   1HG2  THR  48          HG21      THR  48  63.604   6.154  -0.848
  344   2HG2  THR  48          HG22      THR  48  65.267   6.520  -1.306
  345   3HG2  THR  48          HG23      THR  48  64.459   7.487  -0.072
  346    H    ILE  49           HN       ILE  49  61.964   3.140   1.350
  347    HA   ILE  49           HA       ILE  49  63.650   0.750   1.033
  348    HB   ILE  49           HB       ILE  49  60.684   1.230   1.422
  349   1HG1  ILE  49          HG11      ILE  49  63.014   1.176   3.143
  350   2HG1  ILE  49          HG12      ILE  49  61.887  -0.101   3.602
  351   1HG2  ILE  49          HG21      ILE  49  60.433  -1.129   1.792
  352   2HG2  ILE  49          HG22      ILE  49  62.174  -1.392   1.706
  353   3HG2  ILE  49          HG23      ILE  49  61.276  -0.957   0.253
  354   1HD1  ILE  49          HD11      ILE  49  61.308   2.858   3.342
  355   2HD1  ILE  49          HD12      ILE  49  61.261   1.886   4.812
  356   3HD1  ILE  49          HD13      ILE  49  60.054   1.637   3.551
  357    H    ALA  50           HN       ALA  50  64.124  -0.126  -0.909
  358    HA   ALA  50           HA       ALA  50  62.789   0.795  -3.321
  359   1HB   ALA  50           HB1      ALA  50  64.394  -0.808  -4.398
  360   2HB   ALA  50           HB2      ALA  50  64.899  -1.299  -2.778
  361   3HB   ALA  50           HB3      ALA  50  65.166   0.358  -3.321
  362    H    VAL  51           HN       VAL  51  60.638   0.110  -2.731
  363    HA   VAL  51           HA       VAL  51  59.815  -2.548  -2.179
  364    HB   VAL  51           HB       VAL  51  57.619  -1.747  -2.987
  365   1HG1  VAL  51          HG11      VAL  51  57.328  -0.105  -1.353
  366   2HG1  VAL  51          HG12      VAL  51  58.900   0.628  -1.668
  367   3HG1  VAL  51          HG13      VAL  51  58.800  -0.908  -0.808
  368   1HG2  VAL  51          HG21      VAL  51  58.264  -0.590  -5.015
  369   2HG2  VAL  51          HG22      VAL  51  59.258   0.548  -4.104
  370   3HG2  VAL  51          HG23      VAL  51  57.503   0.585  -3.943
  371    H    TYR  52           HN       TYR  52  59.662  -4.354  -3.448
  372    HA   TYR  52           HA       TYR  52  60.695  -4.311  -6.171
  373   2HB   TYR  52           HB1      TYR  52  59.250  -6.522  -4.669
  374   1HB   TYR  52           HB2      TYR  52  60.960  -6.152  -4.444
  375    HD1  TYR  52           HD1      TYR  52  58.753  -8.231  -6.174
  376    HD2  TYR  52           HD2      TYR  52  62.274  -5.857  -6.783
  377    HE1  TYR  52           HE1      TYR  52  59.339  -9.609  -8.150
  378    HE2  TYR  52           HE2      TYR  52  62.862  -7.229  -8.762
  379    HH   TYR  52           HH       TYR  52  61.961 -10.039  -9.377
  380    H    ASN  53           HN       ASN  53  59.363  -3.292  -7.661
  381    HA   ASN  53           HA       ASN  53  56.464  -3.335  -7.549
  382   2HB   ASN  53           HB1      ASN  53  58.505  -2.649  -9.690
  383   1HB   ASN  53           HB2      ASN  53  57.739  -1.527  -8.568
  384   1HD2  ASN  53          HD21      ASN  53  57.357  -3.205 -11.606
  385   2HD2  ASN  53          HD22      ASN  53  55.818  -2.592 -11.980
  386    H    GLY  54           HN       GLY  54  58.614  -5.785  -8.302
  387   2HA   GLY  54           HA1      GLY  54  56.708  -7.081 -10.207
  388   1HA   GLY  54           HA2      GLY  54  57.535  -7.974  -8.924
  389    H    LYS  55           HN       LYS  55  59.212  -5.398 -10.506
  390    HA   LYS  55           HA       LYS  55  61.055  -7.357 -11.786
  391   2HB   LYS  55           HB1      LYS  55  59.729  -6.759 -13.629
  392   1HB   LYS  55           HB2      LYS  55  61.052  -5.599 -13.724
  393   2HG   LYS  55           HG1      LYS  55  59.583  -4.017 -12.352
  394   1HG   LYS  55           HG2      LYS  55  58.256  -5.135 -12.670
  395   2HD   LYS  55           HD1      LYS  55  58.654  -4.879 -15.107
  396   1HD   LYS  55           HD2      LYS  55  59.942  -3.724 -14.763
  397   2HE   LYS  55           HE1      LYS  55  58.301  -2.243 -13.630
  398   1HE   LYS  55           HE2      LYS  55  57.011  -3.404 -14.003
  399   1HZ   LYS  55           HZ1      LYS  55  57.567  -3.189 -16.354
  400   2HZ   LYS  55           HZ2      LYS  55  58.798  -2.076 -15.986
  401   3HZ   LYS  55           HZ3      LYS  55  57.172  -1.672 -15.705
  402    H    GLN  56           HN       GLN  56  60.488  -4.100 -10.513
  403    HA   GLN  56           HA       GLN  56  63.452  -3.687 -10.361
  404   1HB   GLN  56           HB1      GLN  56  61.477  -2.375 -11.842
  405   2HB   GLN  56           HB2      GLN  56  63.138  -1.846 -11.602
  406   1HG   GLN  56           HG1      GLN  56  61.543  -1.150  -9.297
  407   2HG   GLN  56           HG2      GLN  56  60.783  -0.542 -10.760
  408   1HE2  GLN  56          HE21      GLN  56  64.053  -0.694  -9.223
  409   2HE2  GLN  56          HE22      GLN  56  64.545   0.828  -9.783
  410    H    HIS  57           HN       HIS  57  64.212  -2.437  -8.586
  411    HA   HIS  57           HA       HIS  57  62.476  -2.525  -6.161
  412   1HB   HIS  57           HB1      HIS  57  64.477  -2.743  -4.971
  413   2HB   HIS  57           HB2      HIS  57  65.403  -1.838  -6.152
  414    HD1  HIS  57           HD1      HIS  57  67.197  -3.738  -6.225
  415    HD2  HIS  57           HD2      HIS  57  63.415  -4.927  -7.505
  416    HE1  HIS  57           HE1      HIS  57  67.503  -5.960  -7.399
  417    H    VAL  58           HN       VAL  58  61.357  -0.538  -6.101
  418    HA   VAL  58           HA       VAL  58  62.780   1.944  -6.938
  419    HB   VAL  58           HB       VAL  58  59.907   1.451  -6.071
  420   1HG1  VAL  58          HG11      VAL  58  61.030   3.701  -7.757
  421   2HG1  VAL  58          HG12      VAL  58  60.834   3.828  -6.009
  422   3HG1  VAL  58          HG13      VAL  58  59.423   3.587  -7.039
  423   1HG2  VAL  58          HG21      VAL  58  59.452   1.506  -8.542
  424   2HG2  VAL  58          HG22      VAL  58  60.405   0.109  -8.043
  425   3HG2  VAL  58          HG23      VAL  58  61.193   1.482  -8.822
  426    HA   PRO  59           HA       PRO  59  63.574   2.269  -2.431
  427   2HB   PRO  59           HB1      PRO  59  65.841   2.465  -2.893
  428   1HB   PRO  59           HB2      PRO  59  65.510   4.199  -2.701
  429   1HG   PRO  59           HG1      PRO  59  66.567   3.240  -4.943
  430   2HG   PRO  59           HG2      PRO  59  65.363   4.539  -4.986
  431   1HD   PRO  59           HD2      PRO  59  64.313   3.035  -6.396
  432   2HD   PRO  59           HD1      PRO  59  65.048   1.628  -5.598
  433    H    VAL  60           HN       VAL  60  61.511   3.165  -2.170
  434    HA   VAL  60           HA       VAL  60  61.127   6.058  -2.757
  435    HB   VAL  60           HB       VAL  60  59.238   3.947  -1.644
  436   1HG1  VAL  60          HG11      VAL  60  57.509   5.576  -2.414
  437   2HG1  VAL  60          HG12      VAL  60  58.799   6.728  -2.759
  438   3HG1  VAL  60          HG13      VAL  60  58.517   6.190  -1.100
  439   1HG2  VAL  60          HG21      VAL  60  60.067   4.718  -4.413
  440   2HG2  VAL  60          HG22      VAL  60  58.356   4.385  -4.145
  441   3HG2  VAL  60          HG23      VAL  60  59.562   3.148  -3.789
  442    H    TYR  61           HN       TYR  61  61.655   7.505  -1.148
  443    HA   TYR  61           HA       TYR  61  62.001   6.646   1.615
  444   2HB   TYR  61           HB1      TYR  61  61.683   9.490   0.630
  445   1HB   TYR  61           HB2      TYR  61  63.179   8.584   0.379
  446    HD1  TYR  61           HD1      TYR  61  64.817   8.823   2.023
  447    HD2  TYR  61           HD2      TYR  61  60.682   9.180   3.137
  448    HE1  TYR  61           HE1      TYR  61  65.479   9.254   4.365
  449    HE2  TYR  61           HE2      TYR  61  61.336   9.621   5.468
  450    HH   TYR  61           HH       TYR  61  63.919  10.664   6.492
  451    H    ILE  62           HN       ILE  62  60.118   5.952   2.545
  452    HA   ILE  62           HA       ILE  62  57.557   7.229   1.968
  453    HB   ILE  62           HB       ILE  62  58.404   5.081   3.927
  454   1HG1  ILE  62          HG11      ILE  62  58.113   5.119   1.039
  455   2HG1  ILE  62          HG12      ILE  62  56.973   3.988   1.763
  456   1HG2  ILE  62          HG21      ILE  62  55.644   5.446   2.780
  457   2HG2  ILE  62          HG22      ILE  62  56.135   6.341   4.217
  458   3HG2  ILE  62          HG23      ILE  62  56.131   4.579   4.235
  459   1HD1  ILE  62          HD11      ILE  62  59.792   3.980   2.771
  460   2HD1  ILE  62          HD12      ILE  62  59.472   3.257   1.193
  461   3HD1  ILE  62          HD13      ILE  62  58.648   2.643   2.625
  462    H    THR  63           HN       THR  63  56.419   8.556   3.282
  463    HA   THR  63           HA       THR  63  57.734   9.572   5.766
  464    HB   THR  63           HB       THR  63  56.377  11.574   5.343
  465    HG1  THR  63           HG1      THR  63  54.594  11.340   4.295
  466   1HG2  THR  63          HG21      THR  63  58.507  11.157   4.003
  467   2HG2  THR  63          HG22      THR  63  57.380  12.327   3.316
  468   3HG2  THR  63          HG23      THR  63  57.457  10.690   2.665
  469    H    GLU  64           HN       GLU  64  55.281  10.628   6.878
  470    HA   GLU  64           HA       GLU  64  54.080   8.087   7.821
  471   2HB   GLU  64           HB1      GLU  64  53.355  10.884   8.702
  472   1HB   GLU  64           HB2      GLU  64  54.884  10.156   9.197
  473   2HG   GLU  64           HG1      GLU  64  53.863   8.750  10.658
  474   1HG   GLU  64           HG2      GLU  64  52.572   8.368   9.519
  475    H    ASN  65           HN       ASN  65  53.484   9.516   5.057
  476    HA   ASN  65           HA       ASN  65  50.508   9.300   5.311
  477   2HB   ASN  65           HB1      ASN  65  51.705  11.428   3.587
  478   1HB   ASN  65           HB2      ASN  65  51.709  11.676   5.333
  479   1HD2  ASN  65          HD21      ASN  65  49.593  11.256   2.502
  480   2HD2  ASN  65          HD22      ASN  65  48.174  11.780   3.273
  481    H    MET  66           HN       MET  66  53.366   8.768   3.332
  482    HA   MET  66           HA       MET  66  51.849   8.251   0.860
  483   2HB   MET  66           HB1      MET  66  54.124   7.664   0.050
  484   1HB   MET  66           HB2      MET  66  54.737   7.866   1.691
  485   2HG   MET  66           HG1      MET  66  53.750  10.229   1.605
  486   1HG   MET  66           HG2      MET  66  53.538   9.969  -0.126
  487   1HE   MET  66           HE1      MET  66  56.550  11.389  -1.438
  488   2HE   MET  66           HE2      MET  66  55.218  12.166  -0.587
  489   3HE   MET  66           HE3      MET  66  54.901  10.779  -1.627
  490    H    VAL  67           HN       VAL  67  53.025   6.430   3.608
  491    HA   VAL  67           HA       VAL  67  53.136   3.815   2.432
  492    HB   VAL  67           HB       VAL  67  54.157   4.319   4.574
  493   1HG1  VAL  67          HG11      VAL  67  52.363   4.629   6.522
  494   2HG1  VAL  67          HG12      VAL  67  51.394   5.292   5.206
  495   3HG1  VAL  67          HG13      VAL  67  52.952   6.016   5.605
  496   1HG2  VAL  67          HG21      VAL  67  53.325   2.025   4.310
  497   2HG2  VAL  67          HG22      VAL  67  51.740   2.513   4.905
  498   3HG2  VAL  67          HG23      VAL  67  53.132   2.541   5.984
  499    H    GLY  68           HN       GLY  68  51.585   2.032   2.857
  500   2HA   GLY  68           HA1      GLY  68  48.756   2.967   3.090
  501   1HA   GLY  68           HA2      GLY  68  49.320   1.400   3.660
  502    H    HIS  69           HN       HIS  69  50.689   2.365   0.626
  503    HA   HIS  69           HA       HIS  69  48.690   0.614  -0.758
  504   2HB   HIS  69           HB1      HIS  69  49.152   2.121  -2.711
  505   1HB   HIS  69           HB2      HIS  69  50.141   3.124  -1.664
  506    HD1  HIS  69           HD1      HIS  69  46.842   3.017  -2.943
  507    HD2  HIS  69           HD2      HIS  69  48.401   3.786   0.852
  508    HE1  HIS  69           HE1      HIS  69  45.043   4.260  -1.667
  509    H    LYS  70           HN       LYS  70  51.674   2.024  -2.028
  510    HA   LYS  70           HA       LYS  70  53.403  -0.208  -1.783
  511   2HB   LYS  70           HB1      LYS  70  51.960  -1.553  -3.067
  512   1HB   LYS  70           HB2      LYS  70  53.124  -0.977  -4.256
  513   1HG   LYS  70           HG1      LYS  70  50.757   0.749  -3.793
  514   2HG   LYS  70           HG2      LYS  70  50.452  -0.784  -4.601
  515   2HD   LYS  70           HD1      LYS  70  52.628   0.001  -5.981
  516   1HD   LYS  70           HD2      LYS  70  52.000   1.587  -5.531
  517   1HE   LYS  70           HE1      LYS  70  49.894  -0.232  -6.479
  518   2HE   LYS  70           HE2      LYS  70  51.136   0.089  -7.704
  519   1HZ   LYS  70           HZ1      LYS  70  50.911   2.448  -7.274
  520   2HZ   LYS  70           HZ2      LYS  70  49.772   2.157  -6.046
  521   3HZ   LYS  70           HZ3      LYS  70  49.390   1.808  -7.664
  522    H    LEU  71           HN       LEU  71  52.322   2.441  -3.680
  523    HA   LEU  71           HA       LEU  71  54.721   3.923  -3.789
  524   1HB   LEU  71           HB1      LEU  71  55.226   1.746  -5.187
  525   2HB   LEU  71           HB2      LEU  71  55.770   3.303  -5.792
  526    HG   LEU  71           HG       LEU  71  53.030   2.546  -6.612
  527   1HD1  LEU  71          HD11      LEU  71  54.125   3.254  -8.850
  528   2HD1  LEU  71          HD12      LEU  71  55.503   3.739  -7.863
  529   3HD1  LEU  71          HD13      LEU  71  53.929   4.492  -7.610
  530   1HD2  LEU  71          HD21      LEU  71  54.444   0.384  -6.637
  531   2HD2  LEU  71          HD22      LEU  71  55.364   1.153  -7.930
  532   3HD2  LEU  71          HD23      LEU  71  53.641   0.837  -8.140
  533    H    GLY  72           HN       GLY  72  51.503   3.270  -4.964
  534   2HA   GLY  72           HA1      GLY  72  49.929   4.588  -6.077
  535   1HA   GLY  72           HA2      GLY  72  51.269   5.432  -6.850
  536    H    GLU  73           HN       GLU  73  51.360   5.344  -3.400
  537    HA   GLU  73           HA       GLU  73  49.890   7.888  -3.036
  538   2HB   GLU  73           HB1      GLU  73  50.901   7.451  -0.654
  539   1HB   GLU  73           HB2      GLU  73  51.334   5.877  -1.321
  540   2HG   GLU  73           HG1      GLU  73  49.222   5.160  -1.081
  541   1HG   GLU  73           HG2      GLU  73  48.619   6.508  -2.043
  542    H    PHE  74           HN       PHE  74  53.061   6.805  -3.744
  543    HA   PHE  74           HA       PHE  74  54.371   9.303  -2.803
  544   1HB   PHE  74           HB1      PHE  74  56.413   8.084  -3.260
  545   2HB   PHE  74           HB2      PHE  74  55.546   6.875  -4.198
  546    HD1  PHE  74           HD1      PHE  74  56.755   7.782  -0.946
  547    HD2  PHE  74           HD2      PHE  74  53.786   5.425  -2.954
  548    HE1  PHE  74           HE1      PHE  74  56.498   6.368   1.067
  549    HE2  PHE  74           HE2      PHE  74  53.527   4.027  -0.941
  550    HZ   PHE  74           HZ       PHE  74  54.892   4.490   1.064
  551    H    ALA  75           HN       ALA  75  53.065   7.741  -5.628
  552    HA   ALA  75           HA       ALA  75  54.121   9.965  -7.339
  553   1HB   ALA  75           HB1      ALA  75  54.243   8.122  -9.122
  554   2HB   ALA  75           HB2      ALA  75  54.017   6.973  -7.801
  555   3HB   ALA  75           HB3      ALA  75  55.436   8.022  -7.827
  556    HA   PRO  76           HA       PRO  76  49.536   9.123  -7.891
  557   2HB   PRO  76           HB1      PRO  76  48.818   9.356  -5.701
  558   1HB   PRO  76           HB2      PRO  76  48.419  10.997  -6.241
  559   1HG   PRO  76           HG1      PRO  76  50.154  10.383  -4.200
  560   2HG   PRO  76           HG2      PRO  76  50.160  11.899  -5.109
  561   1HD   PRO  76           HD2      PRO  76  52.208  11.372  -5.889
  562   2HD   PRO  76           HD1      PRO  76  52.129   9.795  -5.080
  563    H    THR  77           HN       THR  77  51.269  10.520  -9.519
  564    HA   THR  77           HA       THR  77  50.184  13.270  -9.886
  565    HB   THR  77           HB       THR  77  52.387  11.838 -11.402
  566    HG1  THR  77           HG1      THR  77  52.530  13.349  -9.003
  567   1HG2  THR  77          HG21      THR  77  51.803  14.764 -10.861
  568   2HG2  THR  77          HG22      THR  77  51.600  13.932 -12.403
  569   3HG2  THR  77          HG23      THR  77  53.213  14.156 -11.727
  570    H    ARG  78           HN       ARG  78  48.090  11.869 -10.487
  571    HA   ARG  78           HA       ARG  78  46.552  11.244 -12.160
  572   2HB   ARG  78           HB1      ARG  78  47.491  12.342 -14.477
  573   1HB   ARG  78           HB2      ARG  78  48.439  13.235 -13.290
  574   1HG   ARG  78           HG1      ARG  78  45.467  12.895 -12.930
  575   2HG   ARG  78           HG2      ARG  78  46.100  14.166 -13.975
  576   1HD   ARG  78           HD1      ARG  78  47.216  13.857 -11.191
  577   2HD   ARG  78           HD2      ARG  78  45.676  14.704 -11.434
  578    HE   ARG  78           HE       ARG  78  46.862  16.291 -12.891
  579   1HH1  ARG  78          HH11      ARG  78  48.499  16.053 -10.276
  580   2HH1  ARG  78          HH12      ARG  78  50.107  16.003 -10.917
  581   1HH2  ARG  78          HH21      ARG  78  49.078  15.323 -14.166
  582   2HH2  ARG  78          HH22      ARG  78  50.436  15.589 -13.125
  583    H    THR  79           HN       THR  79  46.826  10.499 -14.804
  584    HA   THR  79           HA       THR  79  48.551   8.060 -14.604
  585    HB   THR  79           HB       THR  79  46.053   7.868 -14.856
  586    HG1  THR  79           HG1      THR  79  46.601   6.097 -15.796
  587   1HG2  THR  79          HG21      THR  79  45.113   8.379 -17.116
  588   2HG2  THR  79          HG22      THR  79  46.633   9.169 -17.534
  589   3HG2  THR  79          HG23      THR  79  45.626   9.822 -16.243
  590    H    TYR  80           HN       TYR  80  49.578   7.345 -16.675
  591    HA   TYR  80           HA       TYR  80  51.058   7.759 -18.466
  592   2HB   TYR  80           HB1      TYR  80  50.011   9.519 -20.084
  593   1HB   TYR  80           HB2      TYR  80  48.670   9.543 -18.940
  594    HD1  TYR  80           HD1      TYR  80  50.664   7.364 -21.199
  595    HD2  TYR  80           HD2      TYR  80  47.117   7.727 -18.803
  596    HE1  TYR  80           HE1      TYR  80  49.776   5.275 -22.196
  597    HE2  TYR  80           HE2      TYR  80  46.230   5.638 -19.799
  598    HH   TYR  80           HH       TYR  80  47.733   3.423 -21.066

  No H/Q in entry =         598