PARAM/nmr.parm

   1 *** Parameters for distance restraints form NMR-data ***
   2 14 **** HN for all types
   3   1     a1y             -0.52804E+00
   4   2     a2y             -0.13290E+01
   5   3     a3y             0.15368E+00
   6   4     a1z             0.19909E+00
   7   5     a2z             0.16324E+01
   8   6     a3z             0.10702E+01
   9   7     b1y             0.25855E+00
  10   8     b2y             0.15256E+00
  11   9     b3y             -0.71847E+00
  12  10     b1z             0.11586E+00
  13  11     b2z             -0.43965E+00
  14  12     b3z             -0.43010E-01
  15  13     delta           0.21388E+01
  16  14     epsil           0.11464E+01
  17 2 **** HA for glycines
  18   1     alpha           0.17959E+03
  19   2     bondLength      0.55574E+00
  20 8 **** HA for prolines
  21   1     alpha           0.11056E+03
  22   2     a1              -0.19851E+01
  23   3     a2              0.18497E+00
  24   4     a3              -0.10107E+01
  25   5     a4              0.27010E+00
  26   6     a5              -0.27306E+00
  27   7     a6              0.29012E+00
  28   8     bondLength      0.10333E+01
  29 8 **** HA for others amino-acids
  30   1     alpha           0.11240E+03
  31   2     a1              -0.23584E+00
  32   3     a2              -0.82378E-01
  33   4     a3              -0.95702E-01
  34   5     a4              -0.16562E+00
  35   6     a5              -0.92429E-01
  36   7     a6              0.67481E-01
  37   8     bondLength      0.10650E+01
  38 21 **** HB for all types
  39   1     alpha0          0.13675E+03
  40   2     a1              0.20380E+00
  41   3     a2              0.25507E+00
  42   4     a3              0.44817E+00
  43   5     a4              0.51953E+00
  44   6     a5              0.30544E+00
  45   7     a6              0.11575E+00
  46   8     beta            0.25797E+01
  47   9     b1              -0.14925E+01
  48  10     b2              -0.16393E+01
  49  11     b3              -0.21575E+01
  50  12     b4              -0.78699E+00
  51  13     b5              -0.43214E+00
  52  14     b6              0.25522E+00
  53  15     c1              0.16876E+01
  54  16     c2              0.16691E+01
  55  17     c3              0.12863E+01
  56  18     c4              0.11205E+01
  57  19     c5              0.58898E+00
  58  20     c6              0.27280E+00
  59  21     bondLength      0.18145E+01
  60   3   2.740                                  ! Cys, HG
  61   5   0.924   0.000   2.059                  ! Met, HE
  62   6   0.000   0.888   1.653   2.026          ! Phe, HZ
  63   4   1.090   2.167                          ! Ile, HD
  64   4   1.182   1.638                          ! Leu, HD
  65   3   1.602                                  ! Val, HG
  66   7   0.000   0.945   1.089   1.547   1.807  ! Trp, HH
  67   7   0.000   0.785   1.485   0.000   1.877  ! Tyr, HH
  68   2                                          ! Ala, HB
  69   1                                          ! Gly, HA
  70   3   1.797                                  ! Thr, HD
  71   3   2.600                                  ! Ser, HG
  72   5   0.821   0.000   1.456                  ! Gln, HD
  73   4   0.000   1.123                          ! Asn, HD
  74   5   0.823   0.000   1.796                  ! Glu, HG
  75   4   0.000   1.646                          ! Asp, HD
  76   5   0.000   1.089   2.109                  ! His, HE
  77   7   0.594   0.961   1.152   0.000   1.770  ! Arg, HH
  78   6   0.760   1.246   1.548   2.130          ! Lys, HZ
  79   4   2.325   1.505                          ! Pro, HD
  80   5   0.924   0.000   2.059                  ! Sme, HD
  81   5   1.00    1.500   2.000                  ! Dbz, HD
  82   2                                          ! Aib, HB
  83   3   2.090                                  ! Abu, HG