Content for NMR-STAR saveframe, "chemical_shift_set_1"

    save_chemical_shift_set_1
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  chemical_shift_set_1
   _Assigned_chem_shift_list.Entry_ID                      6557
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label  $sample_cond_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label   $chemical_shift_reference
   _Assigned_chem_shift_list.Chem_shift_1H_err             .
   _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 $sample_1 . 6557 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 4.250 0.01 . 1 . . . . . . . . 6557 1 
        2 . 1 1  1  1 ASN HB2  H 1 3.300 0.01 . 2 . . . . . . . . 6557 1 
        3 . 1 1  1  1 ASN HB3  H 1 3.060 0.01 . 2 . . . . . . . . 6557 1 
        4 . 1 1  2  2 SER H    H 1 9.130 0.01 . 1 . . . . . . . . 6557 1 
        5 . 1 1  2  2 SER HA   H 1 4.260 0.01 . 1 . . . . . . . . 6557 1 
        6 . 1 1  2  2 SER HB2  H 1 3.900 0.01 . 1 . . . . . . . . 6557 1 
        7 . 1 1  2  2 SER HB3  H 1 3.900 0.01 . 1 . . . . . . . . 6557 1 
        8 . 1 1  3  3 THR H    H 1 7.910 0.01 . 1 . . . . . . . . 6557 1 
        9 . 1 1  3  3 THR HA   H 1 4.090 0.01 . 1 . . . . . . . . 6557 1 
       10 . 1 1  3  3 THR HB   H 1 4.250 0.01 . 1 . . . . . . . . 6557 1 
       11 . 1 1  3  3 THR HG21 H 1 1.180 0.01 . 1 . . . . . . . . 6557 1 
       12 . 1 1  3  3 THR HG22 H 1 1.180 0.01 . 1 . . . . . . . . 6557 1 
       13 . 1 1  3  3 THR HG23 H 1 1.180 0.01 . 1 . . . . . . . . 6557 1 
       14 . 1 1  4  4 THR H    H 1 8.310 0.01 . 1 . . . . . . . . 6557 1 
       15 . 1 1  4  4 THR HA   H 1 4.070 0.01 . 1 . . . . . . . . 6557 1 
       16 . 1 1  4  4 THR HB   H 1 4.170 0.01 . 1 . . . . . . . . 6557 1 
       17 . 1 1  4  4 THR HG21 H 1 1.190 0.01 . 1 . . . . . . . . 6557 1 
       18 . 1 1  4  4 THR HG22 H 1 1.190 0.01 . 1 . . . . . . . . 6557 1 
       19 . 1 1  4  4 THR HG23 H 1 1.190 0.01 . 1 . . . . . . . . 6557 1 
       20 . 1 1  5  5 PHE H    H 1 8.220 0.01 . 1 . . . . . . . . 6557 1 
       21 . 1 1  5  5 PHE HA   H 1 4.260 0.01 . 1 . . . . . . . . 6557 1 
       22 . 1 1  5  5 PHE HB2  H 1 3.120 0.01 . 2 . . . . . . . . 6557 1 
       23 . 1 1  5  5 PHE HB3  H 1 3.040 0.01 . 2 . . . . . . . . 6557 1 
       24 . 1 1  5  5 PHE HD1  H 1 7.020 0.01 . 1 . . . . . . . . 6557 1 
       25 . 1 1  5  5 PHE HD2  H 1 7.020 0.01 . 1 . . . . . . . . 6557 1 
       26 . 1 1  5  5 PHE HE1  H 1 7.110 0.01 . 1 . . . . . . . . 6557 1 
       27 . 1 1  5  5 PHE HE2  H 1 7.110 0.01 . 1 . . . . . . . . 6557 1 
       28 . 1 1  5  5 PHE HZ   H 1 7.060 0.01 . 3 . . . . . . . . 6557 1 
       29 . 1 1  6  6 HIS H    H 1 8.090 0.01 . 1 . . . . . . . . 6557 1 
       30 . 1 1  6  6 HIS HA   H 1 4.100 0.01 . 1 . . . . . . . . 6557 1 
       31 . 1 1  6  6 HIS HB2  H 1 3.310 0.01 . 1 . . . . . . . . 6557 1 
       32 . 1 1  6  6 HIS HB3  H 1 3.310 0.01 . 1 . . . . . . . . 6557 1 
       33 . 1 1  6  6 HIS HD2  H 1 7.350 0.01 . 1 . . . . . . . . 6557 1 
       34 . 1 1  6  6 HIS HE1  H 1 8.680 0.01 . 1 . . . . . . . . 6557 1 
       35 . 1 1  7  7 GLN H    H 1 8.280 0.01 . 1 . . . . . . . . 6557 1 
       36 . 1 1  7  7 GLN HA   H 1 3.920 0.01 . 1 . . . . . . . . 6557 1 
       37 . 1 1  7  7 GLN HB2  H 1 2.190 0.01 . 2 . . . . . . . . 6557 1 
       38 . 1 1  7  7 GLN HB3  H 1 2.020 0.01 . 2 . . . . . . . . 6557 1 
       39 . 1 1  7  7 GLN HG2  H 1 2.460 0.01 . 2 . . . . . . . . 6557 1 
       40 . 1 1  7  7 GLN HG3  H 1 2.310 0.01 . 2 . . . . . . . . 6557 1 
       41 . 1 1  7  7 GLN HE21 H 1 6.740 0.01 . 1 . . . . . . . . 6557 1 
       42 . 1 1  7  7 GLN HE22 H 1 7.540 0.01 . 1 . . . . . . . . 6557 1 
       43 . 1 1  8  8 ALA H    H 1 8.130 0.01 . 1 . . . . . . . . 6557 1 
       44 . 1 1  8  8 ALA HA   H 1 4.020 0.01 . 1 . . . . . . . . 6557 1 
       45 . 1 1  8  8 ALA HB1  H 1 1.380 0.01 . 1 . . . . . . . . 6557 1 
       46 . 1 1  8  8 ALA HB2  H 1 1.380 0.01 . 1 . . . . . . . . 6557 1 
       47 . 1 1  8  8 ALA HB3  H 1 1.380 0.01 . 1 . . . . . . . . 6557 1 
       48 . 1 1  9  9 LEU H    H 1 7.420 0.01 . 1 . . . . . . . . 6557 1 
       49 . 1 1  9  9 LEU HA   H 1 3.930 0.01 . 1 . . . . . . . . 6557 1 
       50 . 1 1  9  9 LEU HB2  H 1 1.630 0.01 . 2 . . . . . . . . 6557 1 
       51 . 1 1  9  9 LEU HB3  H 1 1.340 0.01 . 2 . . . . . . . . 6557 1 
       52 . 1 1  9  9 LEU HG   H 1 1.470 0.01 . 1 . . . . . . . . 6557 1 
       53 . 1 1  9  9 LEU HD11 H 1 0.600 0.01 . 1 . . . . . . . . 6557 1 
       54 . 1 1  9  9 LEU HD12 H 1 0.600 0.01 . 1 . . . . . . . . 6557 1 
       55 . 1 1  9  9 LEU HD13 H 1 0.600 0.01 . 1 . . . . . . . . 6557 1 
       56 . 1 1  9  9 LEU HD21 H 1 0.600 0.01 . 1 . . . . . . . . 6557 1 
       57 . 1 1  9  9 LEU HD22 H 1 0.600 0.01 . 1 . . . . . . . . 6557 1 
       58 . 1 1  9  9 LEU HD23 H 1 0.600 0.01 . 1 . . . . . . . . 6557 1 
       59 . 1 1 10 10 LEU H    H 1 7.380 0.01 . 1 . . . . . . . . 6557 1 
       60 . 1 1 10 10 LEU HA   H 1 4.160 0.01 . 1 . . . . . . . . 6557 1 
       61 . 1 1 10 10 LEU HB2  H 1 1.700 0.01 . 2 . . . . . . . . 6557 1 
       62 . 1 1 10 10 LEU HB3  H 1 1.500 0.01 . 2 . . . . . . . . 6557 1 
       63 . 1 1 10 10 LEU HG   H 1 1.680 0.01 . 1 . . . . . . . . 6557 1 
       64 . 1 1 10 10 LEU HD11 H 1 0.800 0.01 . 1 . . . . . . . . 6557 1 
       65 . 1 1 10 10 LEU HD12 H 1 0.800 0.01 . 1 . . . . . . . . 6557 1 
       66 . 1 1 10 10 LEU HD13 H 1 0.800 0.01 . 1 . . . . . . . . 6557 1 
       67 . 1 1 10 10 LEU HD21 H 1 0.770 0.01 . 1 . . . . . . . . 6557 1 
       68 . 1 1 10 10 LEU HD22 H 1 0.770 0.01 . 1 . . . . . . . . 6557 1 
       69 . 1 1 10 10 LEU HD23 H 1 0.770 0.01 . 1 . . . . . . . . 6557 1 
       70 . 1 1 11 11 ASP H    H 1 7.810 0.01 . 1 . . . . . . . . 6557 1 
       71 . 1 1 11 11 ASP HA   H 1 4.840 0.01 . 1 . . . . . . . . 6557 1 
       72 . 1 1 11 11 ASP HB2  H 1 3.100 0.01 . 2 . . . . . . . . 6557 1 
       73 . 1 1 11 11 ASP HB3  H 1 2.610 0.01 . 2 . . . . . . . . 6557 1 
       74 . 1 1 12 12 PRO HA   H 1 4.240 0.01 . 1 . . . . . . . . 6557 1 
       75 . 1 1 12 12 PRO HB2  H 1 2.320 0.01 . 2 . . . . . . . . 6557 1 
       76 . 1 1 12 12 PRO HB3  H 1 1.940 0.01 . 2 . . . . . . . . 6557 1 
       77 . 1 1 12 12 PRO HG2  H 1 2.000 0.01 . 1 . . . . . . . . 6557 1 
       78 . 1 1 12 12 PRO HG3  H 1 2.000 0.01 . 1 . . . . . . . . 6557 1 
       79 . 1 1 12 12 PRO HD2  H 1 4.030 0.01 . 2 . . . . . . . . 6557 1 
       80 . 1 1 12 12 PRO HD3  H 1 3.880 0.01 . 2 . . . . . . . . 6557 1 
       81 . 1 1 13 13 ARG H    H 1 8.430 0.01 . 1 . . . . . . . . 6557 1 
       82 . 1 1 13 13 ARG HA   H 1 4.030 0.01 . 1 . . . . . . . . 6557 1 
       83 . 1 1 13 13 ARG HB2  H 1 1.840 0.01 . 1 . . . . . . . . 6557 1 
       84 . 1 1 13 13 ARG HB3  H 1 1.840 0.01 . 1 . . . . . . . . 6557 1 
       85 . 1 1 13 13 ARG HG2  H 1 1.680 0.01 . 2 . . . . . . . . 6557 1 
       86 . 1 1 13 13 ARG HD2  H 1 3.210 0.01 . 2 . . . . . . . . 6557 1 
       87 . 1 1 13 13 ARG HD3  H 1 3.100 0.01 . 2 . . . . . . . . 6557 1 
       88 . 1 1 14 14 VAL H    H 1 7.470 0.01 . 1 . . . . . . . . 6557 1 
       89 . 1 1 14 14 VAL HA   H 1 3.910 0.01 . 1 . . . . . . . . 6557 1 
       90 . 1 1 14 14 VAL HB   H 1 2.320 0.01 . 1 . . . . . . . . 6557 1 
       91 . 1 1 14 14 VAL HG11 H 1 0.950 0.01 . 1 . . . . . . . . 6557 1 
       92 . 1 1 14 14 VAL HG12 H 1 0.950 0.01 . 1 . . . . . . . . 6557 1 
       93 . 1 1 14 14 VAL HG13 H 1 0.950 0.01 . 1 . . . . . . . . 6557 1 
       94 . 1 1 14 14 VAL HG21 H 1 0.930 0.01 . 1 . . . . . . . . 6557 1 
       95 . 1 1 14 14 VAL HG22 H 1 0.930 0.01 . 1 . . . . . . . . 6557 1 
       96 . 1 1 14 14 VAL HG23 H 1 0.930 0.01 . 1 . . . . . . . . 6557 1 
       97 . 1 1 15 15 ARG H    H 1 8.010 0.01 . 1 . . . . . . . . 6557 1 
       98 . 1 1 15 15 ARG HA   H 1 4.090 0.01 . 1 . . . . . . . . 6557 1 
       99 . 1 1 15 15 ARG HB2  H 1 1.920 0.01 . 2 . . . . . . . . 6557 1 
      100 . 1 1 15 15 ARG HB3  H 1 1.840 0.01 . 2 . . . . . . . . 6557 1 
      101 . 1 1 15 15 ARG HG2  H 1 1.680 0.01 . 2 . . . . . . . . 6557 1 
      102 . 1 1 15 15 ARG HD2  H 1 3.180 0.01 . 1 . . . . . . . . 6557 1 
      103 . 1 1 15 15 ARG HD3  H 1 3.180 0.01 . 1 . . . . . . . . 6557 1 
      104 . 1 1 16 16 GLY H    H 1 8.110 0.01 . 1 . . . . . . . . 6557 1 
      105 . 1 1 16 16 GLY HA2  H 1 3.840 0.01 . 2 . . . . . . . . 6557 1 
      106 . 1 1 16 16 GLY HA3  H 1 3.730 0.01 . 2 . . . . . . . . 6557 1 
      107 . 1 1 17 17 LEU H    H 1 7.590 0.01 . 1 . . . . . . . . 6557 1 
      108 . 1 1 17 17 LEU HA   H 1 4.120 0.01 . 1 . . . . . . . . 6557 1 
      109 . 1 1 17 17 LEU HB2  H 1 1.550 0.01 . 2 . . . . . . . . 6557 1 
      110 . 1 1 17 17 LEU HB3  H 1 1.230 0.01 . 2 . . . . . . . . 6557 1 
      111 . 1 1 17 17 LEU HG   H 1 1.540 0.01 . 1 . . . . . . . . 6557 1 
      112 . 1 1 17 17 LEU HD11 H 1 0.820 0.01 . 1 . . . . . . . . 6557 1 
      113 . 1 1 17 17 LEU HD12 H 1 0.820 0.01 . 1 . . . . . . . . 6557 1 
      114 . 1 1 17 17 LEU HD13 H 1 0.820 0.01 . 1 . . . . . . . . 6557 1 
      115 . 1 1 17 17 LEU HD21 H 1 0.740 0.01 . 1 . . . . . . . . 6557 1 
      116 . 1 1 17 17 LEU HD22 H 1 0.740 0.01 . 1 . . . . . . . . 6557 1 
      117 . 1 1 17 17 LEU HD23 H 1 0.740 0.01 . 1 . . . . . . . . 6557 1 
      118 . 1 1 18 18 TYR H    H 1 7.540 0.01 . 1 . . . . . . . . 6557 1 
      119 . 1 1 18 18 TYR HA   H 1 4.280 0.01 . 1 . . . . . . . . 6557 1 
      120 . 1 1 18 18 TYR HB2  H 1 2.660 0.01 . 2 . . . . . . . . 6557 1 
      121 . 1 1 18 18 TYR HB3  H 1 2.610 0.01 . 2 . . . . . . . . 6557 1 
      122 . 1 1 18 18 TYR HD1  H 1 6.980 0.01 . 1 . . . . . . . . 6557 1 
      123 . 1 1 18 18 TYR HD2  H 1 6.980 0.01 . 1 . . . . . . . . 6557 1 
      124 . 1 1 18 18 TYR HE1  H 1 6.600 0.01 . 1 . . . . . . . . 6557 1 
      125 . 1 1 18 18 TYR HE2  H 1 6.600 0.01 . 1 . . . . . . . . 6557 1 
      126 . 1 1 19 19 PHE H    H 1 8.050 0.01 . 1 . . . . . . . . 6557 1 
      127 . 1 1 19 19 PHE HA   H 1 4.870 0.01 . 1 . . . . . . . . 6557 1 
      128 . 1 1 19 19 PHE HB2  H 1 3.050 0.01 . 2 . . . . . . . . 6557 1 
      129 . 1 1 19 19 PHE HB3  H 1 2.850 0.01 . 2 . . . . . . . . 6557 1 
      130 . 1 1 19 19 PHE HD1  H 1 7.240 0.01 . 1 . . . . . . . . 6557 1 
      131 . 1 1 19 19 PHE HD2  H 1 7.240 0.01 . 1 . . . . . . . . 6557 1 
      132 . 1 1 19 19 PHE HE1  H 1 7.200 0.01 . 1 . . . . . . . . 6557 1 
      133 . 1 1 19 19 PHE HE2  H 1 7.200 0.01 . 1 . . . . . . . . 6557 1 
      134 . 1 1 19 19 PHE HZ   H 1 7.130 0.01 . 3 . . . . . . . . 6557 1 
      135 . 1 1 20 20 PRO HA   H 1 4.390 0.01 . 1 . . . . . . . . 6557 1 
      136 . 1 1 20 20 PRO HB2  H 1 2.200 0.01 . 2 . . . . . . . . 6557 1 
      137 . 1 1 20 20 PRO HB3  H 1 1.900 0.01 . 2 . . . . . . . . 6557 1 
      138 . 1 1 20 20 PRO HG2  H 1 1.880 0.01 . 1 . . . . . . . . 6557 1 
      139 . 1 1 20 20 PRO HG3  H 1 1.880 0.01 . 1 . . . . . . . . 6557 1 
      140 . 1 1 20 20 PRO HD2  H 1 3.410 0.01 . 1 . . . . . . . . 6557 1 
      141 . 1 1 20 20 PRO HD3  H 1 3.410 0.01 . 1 . . . . . . . . 6557 1 
      142 . 1 1 21 21 ALA H    H 1 8.380 0.01 . 1 . . . . . . . . 6557 1 
      143 . 1 1 21 21 ALA HA   H 1 4.250 0.01 . 1 . . . . . . . . 6557 1 
      144 . 1 1 21 21 ALA HB1  H 1 1.360 0.01 . 1 . . . . . . . . 6557 1 
      145 . 1 1 21 21 ALA HB2  H 1 1.360 0.01 . 1 . . . . . . . . 6557 1 
      146 . 1 1 21 21 ALA HB3  H 1 1.360 0.01 . 1 . . . . . . . . 6557 1 
      147 . 1 1 22 22 GLY H    H 1 8.220 0.01 . 1 . . . . . . . . 6557 1 
      148 . 1 1 22 22 GLY HA2  H 1 3.930 0.01 . 2 . . . . . . . . 6557 1 
      149 . 1 1 22 22 GLY HA3  H 1 3.810 0.01 . 2 . . . . . . . . 6557 1 
      150 . 1 1 23 23 GLY H    H 1 8.070 0.01 . 1 . . . . . . . . 6557 1 
      151 . 1 1 23 23 GLY HA2  H 1 3.840 0.01 . 1 . . . . . . . . 6557 1 
      152 . 1 1 23 23 GLY HA3  H 1 3.840 0.01 . 1 . . . . . . . . 6557 1 

   stop_

save_