Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"

    save_assigned_chem_shift_list_1
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  assigned_chem_shift_list_1
   _Assigned_chem_shift_list.Entry_ID                      25457
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label  $sample_conditions_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label   $chemical_shift_reference_1
   _Assigned_chem_shift_list.Chem_shift_1H_err             0.1
   _Assigned_chem_shift_list.Chem_shift_13C_err            .
   _Assigned_chem_shift_list.Chem_shift_15N_err            .
   _Assigned_chem_shift_list.Chem_shift_31P_err            .
   _Assigned_chem_shift_list.Chem_shift_2H_err             .
   _Assigned_chem_shift_list.Chem_shift_19F_err            .
   _Assigned_chem_shift_list.Error_derivation_method       .
   _Assigned_chem_shift_list.Details                       .
   _Assigned_chem_shift_list.Text_data_format              .
   _Assigned_chem_shift_list.Text_data                     .

   loop_
      _Chem_shift_experiment.Experiment_ID
      _Chem_shift_experiment.Experiment_name
      _Chem_shift_experiment.Sample_ID
      _Chem_shift_experiment.Sample_label
      _Chem_shift_experiment.Sample_state
      _Chem_shift_experiment.Entry_ID
      _Chem_shift_experiment.Assigned_chem_shift_list_ID

      1 '2D 1H-1H TOCSY' . . . 25457 1 
      2 '2D 1H-1H NOESY' . . . 25457 1 

   stop_

   loop_
      _Chem_shift_software.Software_ID
      _Chem_shift_software.Software_label
      _Chem_shift_software.Method_ID
      _Chem_shift_software.Method_label
      _Chem_shift_software.Entry_ID
      _Chem_shift_software.Assigned_chem_shift_list_ID

      1 $CYANA . . 25457 1 

   stop_

   loop_
      _Atom_chem_shift.ID
      _Atom_chem_shift.Assembly_atom_ID
      _Atom_chem_shift.Entity_assembly_ID
      _Atom_chem_shift.Entity_ID
      _Atom_chem_shift.Comp_index_ID
      _Atom_chem_shift.Seq_ID
      _Atom_chem_shift.Comp_ID
      _Atom_chem_shift.Atom_ID
      _Atom_chem_shift.Atom_type
      _Atom_chem_shift.Atom_isotope_number
      _Atom_chem_shift.Val
      _Atom_chem_shift.Val_err
      _Atom_chem_shift.Assign_fig_of_merit
      _Atom_chem_shift.Ambiguity_code
      _Atom_chem_shift.Occupancy
      _Atom_chem_shift.Resonance_ID
      _Atom_chem_shift.Auth_entity_assembly_ID
      _Atom_chem_shift.Auth_asym_ID
      _Atom_chem_shift.Auth_seq_ID
      _Atom_chem_shift.Auth_comp_ID
      _Atom_chem_shift.Auth_atom_ID
      _Atom_chem_shift.Details
      _Atom_chem_shift.Entry_ID
      _Atom_chem_shift.Assigned_chem_shift_list_ID

        1 . 1 1  1  1 ASN HA   H 1 4.560 0.01 . 1 . . . A  1 ASN HA   . 25457 1 
        2 . 1 1  1  1 ASN HB2  H 1 2.630 0.01 .  . . . . A  1 ASN HB2  . 25457 1 
        3 . 1 1  1  1 ASN HB3  H 1 2.630 0.01 .  . . . . A  1 ASN HB3  . 25457 1 
        4 . 1 1  1  1 ASN HD21 H 1 6.900 0.01 .  . . . . A  1 ASN HD21 . 25457 1 
        5 . 1 1  1  1 ASN HD22 H 1 7.280 0.01 .  . . . . A  1 ASN HD22 . 25457 1 
        6 . 1 1  1  1 ASN H    H 1 8.250 0.01 . 1 . . . A  1 ASN H1   . 25457 1 
        7 . 1 1  2  2 SER H    H 1 8.140 0.01 . 1 . . . A  2 SER H    . 25457 1 
        8 . 1 1  2  2 SER HA   H 1 4.330 0.01 . 1 . . . A  2 SER HA   . 25457 1 
        9 . 1 1  2  2 SER HB2  H 1 3.960 0.01 .  . . . . A  2 SER HB2  . 25457 1 
       10 . 1 1  2  2 SER HB3  H 1 3.790 0.01 .  . . . . A  2 SER HB3  . 25457 1 
       11 . 1 1  3  3 GLY H    H 1 8.340 0.01 . 1 . . . A  3 GLY H    . 25457 1 
       12 . 1 1  3  3 GLY HA2  H 1 4.110 0.01 .  . . . . A  3 GLY HA2  . 25457 1 
       13 . 1 1  3  3 GLY HA3  H 1 3.840 0.01 .  . . . . A  3 GLY HA3  . 25457 1 
       14 . 1 1  4  4 LEU H    H 1 7.880 0.01 . 1 . . . A  4 LEU H    . 25457 1 
       15 . 1 1  4  4 LEU HA   H 1 4.240 0.01 . 1 . . . A  4 LEU HA   . 25457 1 
       16 . 1 1  4  4 LEU HB2  H 1 1.680 0.01 .  . . . . A  4 LEU HB2  . 25457 1 
       17 . 1 1  4  4 LEU HB3  H 1 1.610 0.01 .  . . . . A  4 LEU HB3  . 25457 1 
       18 . 1 1  4  4 LEU HG   H 1 1.310 0.01 . 1 . . . A  4 LEU HG   . 25457 1 
       19 . 1 1  4  4 LEU HD11 H 1 0.890 0.01 .  . . . . A  4 LEU HD11 . 25457 1 
       20 . 1 1  4  4 LEU HD12 H 1 0.890 0.01 .  . . . . A  4 LEU HD12 . 25457 1 
       21 . 1 1  4  4 LEU HD13 H 1 0.890 0.01 .  . . . . A  4 LEU HD13 . 25457 1 
       22 . 1 1  5  5 SER H    H 1 8.300 0.01 . 1 . . . A  5 SER H    . 25457 1 
       23 . 1 1  5  5 SER HA   H 1 4.280 0.01 . 1 . . . A  5 SER HA   . 25457 1 
       24 . 1 1  5  5 SER HB2  H 1 3.780 0.01 .  . . . . A  5 SER HB2  . 25457 1 
       25 . 1 1  5  5 SER HB3  H 1 3.740 0.01 .  . . . . A  5 SER HB3  . 25457 1 
       26 . 1 1  6  6 PHE H    H 1 8.250 0.01 . 1 . . . A  6 PHE H    . 25457 1 
       27 . 1 1  6  6 PHE HA   H 1 4.590 0.01 . 1 . . . A  6 PHE HA   . 25457 1 
       28 . 1 1  6  6 PHE HB2  H 1 2.940 0.01 .  . . . . A  6 PHE HB2  . 25457 1 
       29 . 1 1  6  6 PHE HB3  H 1 2.670 0.01 .  . . . . A  6 PHE HB3  . 25457 1 
       30 . 1 1  6  6 PHE HD1  H 1 7.880 0.01 .  . . . . A  6 PHE HD1  . 25457 1 
       31 . 1 1  6  6 PHE HD2  H 1 7.480 0.01 .  . . . . A  6 PHE HD2  . 25457 1 
       32 . 1 1  7  7 GLU H    H 1 8.060 0.01 . 1 . . . A  7 GLU H    . 25457 1 
       33 . 1 1  7  7 GLU HA   H 1 4.280 0.01 . 1 . . . A  7 GLU HA   . 25457 1 
       34 . 1 1  7  7 GLU HB2  H 1 1.930 0.01 .  . . . . A  7 GLU HB2  . 25457 1 
       35 . 1 1  7  7 GLU HB3  H 1 1.930 0.01 .  . . . . A  7 GLU HB3  . 25457 1 
       36 . 1 1  7  7 GLU HG2  H 1 2.320 0.01 .  . . . . A  7 GLU HG2  . 25457 1 
       37 . 1 1  7  7 GLU HG3  H 1 2.320 0.01 .  . . . . A  7 GLU HG3  . 25457 1 
       38 . 1 1  8  8 GLU H    H 1 7.820 0.01 . 1 . . . A  8 GLU H    . 25457 1 
       39 . 1 1  8  8 GLU HA   H 1 3.800 0.01 . 1 . . . A  8 GLU HA   . 25457 1 
       40 . 1 1  8  8 GLU HB2  H 1 1.960 0.01 .  . . . . A  8 GLU HB2  . 25457 1 
       41 . 1 1  8  8 GLU HB3  H 1 1.960 0.01 .  . . . . A  8 GLU HB3  . 25457 1 
       42 . 1 1  8  8 GLU HG2  H 1 2.360 0.01 .  . . . . A  8 GLU HG2  . 25457 1 
       43 . 1 1  8  8 GLU HG3  H 1 2.360 0.01 .  . . . . A  8 GLU HG3  . 25457 1 
       44 . 1 1  9  9 MK8 HB1  H 1 1.500 0.01 .  . . . . A  9 MK8 HB1  . 25457 1 
       45 . 1 1  9  9 MK8 HB1A H 1 1.260 0.01 .  . . . . A  9 MK8 HB1A . 25457 1 
       46 . 1 1  9  9 MK8 HB1B H 1 2.300 0.01 .  . . . . A  9 MK8 HB1B . 25457 1 
       47 . 1 1  9  9 MK8 HB2  H 1 1.890 0.01 .  . . . . A  9 MK8 HB2  . 25457 1 
       48 . 1 1  9  9 MK8 HB3  H 1 1.680 0.01 . 1 . . . A  9 MK8 HB3  . 25457 1 
       49 . 1 1  9  9 MK8 HD3  H 1 1.921 0.01 .  . . . . A  9 MK8 HD3  . 25457 1 
       50 . 1 1  9  9 MK8 HE   H 1 5.530 0.01 .  . . . . A  9 MK8 HE   . 25457 1 
       51 . 1 1  9  9 MK8 HG3  H 1 0.960 0.01 .  . . . . A  9 MK8 HG3  . 25457 1 
       52 . 1 1  9  9 MK8 HNA  H 1 7.730 0.01 . 1 . . . A  9 MK8 HNA  . 25457 1 
       53 . 1 1 10 10 TYR H    H 1 7.690 0.01 . 1 . . . A 10 TYR H    . 25457 1 
       54 . 1 1 10 10 TYR HA   H 1 3.814 0.01 . 1 . . . A 10 TYR HA   . 25457 1 
       55 . 1 1 10 10 TYR HB2  H 1 2.830 0.01 .  . . . . A 10 TYR HB2  . 25457 1 
       56 . 1 1 10 10 TYR HB3  H 1 2.600 0.01 .  . . . . A 10 TYR HB3  . 25457 1 
       57 . 1 1 10 10 TYR HD1  H 1 6.640 0.01 .  . . . . A 10 TYR HD1  . 25457 1 
       58 . 1 1 10 10 TYR HD2  H 1 6.930 0.01 .  . . . . A 10 TYR HD2  . 25457 1 
       59 . 1 1 11 11 ARG H    H 1 7.880 0.01 . 1 . . . A 11 ARG H    . 25457 1 
       60 . 1 1 11 11 ARG HA   H 1 3.970 0.01 . 1 . . . A 11 ARG HA   . 25457 1 
       61 . 1 1 11 11 ARG HB2  H 1 1.670 0.01 .  . . . . A 11 ARG HB2  . 25457 1 
       62 . 1 1 11 11 ARG HB3  H 1 1.580 0.01 .  . . . . A 11 ARG HB3  . 25457 1 
       63 . 1 1 11 11 ARG HG2  H 1 1.280 0.01 .  . . . . A 11 ARG HG2  . 25457 1 
       64 . 1 1 11 11 ARG HG3  H 1 1.280 0.01 .  . . . . A 11 ARG HG3  . 25457 1 
       65 . 1 1 11 11 ARG HE   H 1 6.970 0.01 . 1 . . . A 11 ARG HE   . 25457 1 
       66 . 1 1 12 12 ASN H    H 1 8.061 0.01 . 1 . . . A 12 ASN H    . 25457 1 
       67 . 1 1 12 12 ASN HA   H 1 3.783 0.01 . 1 . . . A 12 ASN HA   . 25457 1 
       68 . 1 1 12 12 ASN HB2  H 1 2.990 0.01 .  . . . . A 12 ASN HB2  . 25457 1 
       69 . 1 1 12 12 ASN HB3  H 1 2.640 0.01 .  . . . . A 12 ASN HB3  . 25457 1 
       70 . 1 1 13 13 MK8 HB1  H 1 1.380 0.01 .  . . . . A 13 MK8 HB1  . 25457 1 
       71 . 1 1 13 13 MK8 HB1A H 1 0.930 0.01 .  . . . . A 13 MK8 HB1A . 25457 1 
       72 . 1 1 13 13 MK8 HB1B H 1 1.550 0.01 .  . . . . A 13 MK8 HB1B . 25457 1 
       73 . 1 1 13 13 MK8 HB2  H 1 1.440 0.01 .  . . . . A 13 MK8 HB2  . 25457 1 
       74 . 1 1 13 13 MK8 HB3  H 1 1.530 0.01 . 1 . . . A 13 MK8 HB3  . 25457 1 
       75 . 1 1 13 13 MK8 HD3  H 1 1.670 0.01 .  . . . . A 13 MK8 HD3  . 25457 1 
       76 . 1 1 13 13 MK8 HE   H 1 5.340 0.01 .  . . . . A 13 MK8 HE   . 25457 1 
       77 . 1 1 13 13 MK8 HG3  H 1 1.030 0.01 .  . . . . A 13 MK8 HG3  . 25457 1 
       78 . 1 1 13 13 MK8 HNA  H 1 8.140 0.01 . 1 . . . A 13 MK8 HNA  . 25457 1 
       79 . 1 1 14 14 TYR H    H 1 7.990 0.01 . 1 . . . A 14 TYR H    . 25457 1 
       80 . 1 1 14 14 TYR HA   H 1 4.410 0.01 . 1 . . . A 14 TYR HA   . 25457 1 
       81 . 1 1 14 14 TYR HB2  H 1 3.040 0.01 .  . . . . A 14 TYR HB2  . 25457 1 
       82 . 1 1 14 14 TYR HB3  H 1 2.850 0.01 .  . . . . A 14 TYR HB3  . 25457 1 
       83 . 1 1 14 14 TYR HD1  H 1 6.670 0.01 .  . . . . A 14 TYR HD1  . 25457 1 
       84 . 1 1 14 14 TYR HD2  H 1 6.990 0.01 .  . . . . A 14 TYR HD2  . 25457 1 
       85 . 1 1 15 15 THR H    H 1 7.870 0.01 . 1 . . . A 15 THR H    . 25457 1 
       86 . 1 1 15 15 THR HA   H 1 4.070 0.01 . 1 . . . A 15 THR HA   . 25457 1 
       87 . 1 1 15 15 THR HB   H 1 3.960 0.01 . 1 . . . A 15 THR HB   . 25457 1 
       88 . 1 1 15 15 THR HG21 H 1 1.460 0.01 . 1 . . . A 15 THR HG21 . 25457 1 
       89 . 1 1 15 15 THR HG22 H 1 1.460 0.01 . 1 . . . A 15 THR HG22 . 25457 1 
       90 . 1 1 15 15 THR HG23 H 1 1.460 0.01 . 1 . . . A 15 THR HG23 . 25457 1 
       91 . 1 1 16 16 MET H    H 1 7.930 0.01 . 1 . . . A 16 MET H    . 25457 1 
       92 . 1 1 16 16 MET HA   H 1 4.220 0.01 . 1 . . . A 16 MET HA   . 25457 1 
       93 . 1 1 16 16 MET HB2  H 1 2.100 0.01 .  . . . . A 16 MET HB2  . 25457 1 
       94 . 1 1 16 16 MET HB3  H 1 1.920 0.01 .  . . . . A 16 MET HB3  . 25457 1 
       95 . 1 1 16 16 MET HG2  H 1 2.400 0.01 .  . . . . A 16 MET HG2  . 25457 1 
       96 . 1 1 16 16 MET HG3  H 1 2.400 0.01 .  . . . . A 16 MET HG3  . 25457 1 
       97 . 1 1 17 17 VAL H    H 1 7.700 0.01 . 1 . . . A 17 VAL H    . 25457 1 
       98 . 1 1 17 17 VAL HA   H 1 3.820 0.01 . 1 . . . A 17 VAL HA   . 25457 1 
       99 . 1 1 17 17 VAL HB   H 1 1.970 0.01 . 1 . . . A 17 VAL HB   . 25457 1 
      100 . 1 1 17 17 VAL HG11 H 1 0.800 0.01 .  . . . . A 17 VAL HG11 . 25457 1 
      101 . 1 1 17 17 VAL HG12 H 1 0.800 0.01 .  . . . . A 17 VAL HG12 . 25457 1 
      102 . 1 1 17 17 VAL HG13 H 1 0.800 0.01 .  . . . . A 17 VAL HG13 . 25457 1 
      103 . 1 1 17 17 VAL HG21 H 1 0.720 0.01 .  . . . . A 17 VAL HG21 . 25457 1 
      104 . 1 1 17 17 VAL HG22 H 1 0.720 0.01 .  . . . . A 17 VAL HG22 . 25457 1 
      105 . 1 1 17 17 VAL HG23 H 1 0.720 0.01 .  . . . . A 17 VAL HG23 . 25457 1 
      106 . 1 1 18 18 LEU H    H 1 7.810 0.01 . 1 . . . A 18 LEU H    . 25457 1 
      107 . 1 1 18 18 LEU HA   H 1 3.800 0.01 . 1 . . . A 18 LEU HA   . 25457 1 
      108 . 1 1 18 18 LEU HB2  H 1 1.960 0.01 .  . . . . A 18 LEU HB2  . 25457 1 
      109 . 1 1 18 18 LEU HB3  H 1 1.838 0.01 .  . . . . A 18 LEU HB3  . 25457 1 
      110 . 1 1 18 18 LEU HG   H 1 1.400 0.01 . 1 . . . A 18 LEU HG   . 25457 1 
      111 . 1 1 18 18 LEU HD11 H 1 0.800 0.01 .  . . . . A 18 LEU HD11 . 25457 1 
      112 . 1 1 18 18 LEU HD12 H 1 0.800 0.01 .  . . . . A 18 LEU HD12 . 25457 1 
      113 . 1 1 18 18 LEU HD13 H 1 0.800 0.01 .  . . . . A 18 LEU HD13 . 25457 1 
      114 . 1 1 19 19 HIS H    H 1 8.000 0.01 . 1 . . . A 19 HIS H    . 25457 1 
      115 . 1 1 19 19 HIS HA   H 1 4.530 0.01 . 1 . . . A 19 HIS HA   . 25457 1 
      116 . 1 1 19 19 HIS HB2  H 1 3.022 0.01 .  . . . . A 19 HIS HB2  . 25457 1 
      117 . 1 1 19 19 HIS HB3  H 1 2.877 0.01 .  . . . . A 19 HIS HB3  . 25457 1 
      118 . 1 1 19 19 HIS HD2  H 1 7.140 0.01 . 1 . . . A 19 HIS HD2  . 25457 1 
      119 . 1 1 19 19 HIS HE1  H 1 8.470 0.01 . 1 . . . A 19 HIS HE1  . 25457 1 
      120 . 1 1 20 20 LYS H    H 1 7.580 0.01 . 1 . . . A 20 LYS H    . 25457 1 
      121 . 1 1 20 20 LYS HA   H 1 4.071 0.01 . 1 . . . A 20 LYS HA   . 25457 1 
      122 . 1 1 20 20 LYS HB2  H 1 1.810 0.01 .  . . . . A 20 LYS HB2  . 25457 1 
      123 . 1 1 20 20 LYS HB3  H 1 1.650 0.01 .  . . . . A 20 LYS HB3  . 25457 1 
      124 . 1 1 20 20 LYS HG2  H 1 1.510 0.01 .  . . . . A 20 LYS HG2  . 25457 1 
      125 . 1 1 20 20 LYS HG3  H 1 1.270 0.01 .  . . . . A 20 LYS HG3  . 25457 1 
      126 . 1 1 20 20 LYS HD2  H 1 1.650 0.01 .  . . . . A 20 LYS HD2  . 25457 1 
      127 . 1 1 20 20 LYS HD3  H 1 1.430 0.01 .  . . . . A 20 LYS HD3  . 25457 1 
      128 . 1 1 20 20 LYS HE2  H 1 3.060 0.01 .  . . . . A 20 LYS HE2  . 25457 1 
      129 . 1 1 20 20 LYS HE3  H 1 2.910 0.01 .  . . . . A 20 LYS HE3  . 25457 1 

   stop_

save_