Content for NMR-STAR saveframe, assigned_chemical_shifts_1
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 52750
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'L6A mini-alphaA crystallin'
_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 $chem_shift_reference_1
_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 '2D 1H-1H TOCSY' . . . 52750 1
2 '2D 1H-1H NOESY' . . . 52750 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 $software_1 . . 52750 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID
_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 LYS H H 1 7.961 0.001 . . . . . . . 1 LYS H . 52750 1
2 . 1 . 1 1 1 LYS HA H 1 4.189 0.000 . . . . . . . 1 LYS HA . 52750 1
3 . 1 . 1 1 1 LYS HG2 H 1 1.389 . . . . . . . . 1 LYS HG# . 52750 1
4 . 1 . 1 1 1 LYS HG3 H 1 1.389 . . . . . . . . 1 LYS HG# . 52750 1
5 . 1 . 1 1 1 LYS HD2 H 1 1.695 0.001 . . . . . . . 1 LYS HD# . 52750 1
6 . 1 . 1 1 1 LYS HD3 H 1 1.695 0.001 . . . . . . . 1 LYS HD# . 52750 1
7 . 1 . 1 1 1 LYS HE2 H 1 2.988 0.000 . . . . . . . 1 LYS HE# . 52750 1
8 . 1 . 1 1 1 LYS HE3 H 1 2.988 0.000 . . . . . . . 1 LYS HE# . 52750 1
9 . 1 . 1 2 2 PHE H H 1 8.083 0.000 . . . . . . . 2 PHE H . 52750 1
10 . 1 . 1 2 2 PHE HA H 1 4.623 . . . . . . . . 2 PHE HA . 52750 1
11 . 1 . 1 2 2 PHE HB2 H 1 3.113 . . . . . . . . 2 PHE HB2 . 52750 1
12 . 1 . 1 2 2 PHE HB3 H 1 2.980 . . . . . . . . 2 PHE HB3 . 52750 1
13 . 1 . 1 3 3 VAL H H 1 8.110 0.004 . . . . . . . 3 VAL H . 52750 1
14 . 1 . 1 3 3 VAL HA H 1 4.387 . . . . . . . . 3 VAL HA . 52750 1
15 . 1 . 1 3 3 VAL HB H 1 1.673 0.006 . . . . . . . 3 VAL HB . 52750 1
16 . 1 . 1 3 3 VAL HG11 H 1 0.923 0.005 . . . . . . . 3 VAL HG# . 52750 1
17 . 1 . 1 3 3 VAL HG12 H 1 0.923 0.005 . . . . . . . 3 VAL HG# . 52750 1
18 . 1 . 1 3 3 VAL HG13 H 1 0.923 0.005 . . . . . . . 3 VAL HG# . 52750 1
19 . 1 . 1 3 3 VAL HG21 H 1 0.923 0.005 . . . . . . . 3 VAL HG# . 52750 1
20 . 1 . 1 3 3 VAL HG22 H 1 0.923 0.005 . . . . . . . 3 VAL HG# . 52750 1
21 . 1 . 1 3 3 VAL HG23 H 1 0.923 0.005 . . . . . . . 3 VAL HG# . 52750 1
22 . 1 . 1 4 4 ILE H H 1 8.153 0.003 . . . . . . . 4 ILE H . 52750 1
23 . 1 . 1 4 4 ILE HA H 1 4.038 0.014 . . . . . . . 4 ILE HA . 52750 1
24 . 1 . 1 4 4 ILE HB H 1 1.857 0.003 . . . . . . . 4 ILE HB . 52750 1
25 . 1 . 1 4 4 ILE HG12 H 1 0.828 0.011 . . . . . . . 4 ILE HG1# . 52750 1
26 . 1 . 1 4 4 ILE HG13 H 1 0.828 0.011 . . . . . . . 4 ILE HG1# . 52750 1
27 . 1 . 1 4 4 ILE HD11 H 1 0.719 0.007 . . . . . . . 4 ILE HD1# . 52750 1
28 . 1 . 1 4 4 ILE HD12 H 1 0.719 0.007 . . . . . . . 4 ILE HD1# . 52750 1
29 . 1 . 1 4 4 ILE HD13 H 1 0.719 0.007 . . . . . . . 4 ILE HD1# . 52750 1
30 . 1 . 1 5 5 PHE H H 1 8.311 0.002 . . . . . . . 5 PHE H . 52750 1
31 . 1 . 1 5 5 PHE HA H 1 4.599 0.003 . . . . . . . 5 PHE HA . 52750 1
32 . 1 . 1 5 5 PHE HB2 H 1 3.111 0.005 . . . . . . . 5 PHE HB2 . 52750 1
33 . 1 . 1 5 5 PHE HB3 H 1 2.983 0.004 . . . . . . . 5 PHE HB3 . 52750 1
34 . 1 . 1 6 6 ALA H H 1 8.243 0.004 . . . . . . . 6 ALA H . 52750 1
35 . 1 . 1 6 6 ALA HA H 1 4.254 0.005 . . . . . . . 6 ALA HA . 52750 1
36 . 1 . 1 6 6 ALA HB1 H 1 1.324 0.005 . . . . . . . 6 ALA HB# . 52750 1
37 . 1 . 1 6 6 ALA HB2 H 1 1.324 0.005 . . . . . . . 6 ALA HB# . 52750 1
38 . 1 . 1 6 6 ALA HB3 H 1 1.324 0.005 . . . . . . . 6 ALA HB# . 52750 1
39 . 1 . 1 7 7 ASP H H 1 8.205 0.001 . . . . . . . 7 ASP H . 52750 1
40 . 1 . 1 7 7 ASP HA H 1 4.582 0.007 . . . . . . . 7 ASP HA . 52750 1
41 . 1 . 1 7 7 ASP HB2 H 1 2.719 0.004 . . . . . . . 7 ASP HB2 . 52750 1
42 . 1 . 1 7 7 ASP HB3 H 1 2.597 0.004 . . . . . . . 7 ASP HB3 . 52750 1
43 . 1 . 1 8 8 VAL H H 1 7.992 0.002 . . . . . . . 8 VAL H . 52750 1
44 . 1 . 1 8 8 VAL HA H 1 4.058 0.004 . . . . . . . 8 VAL HA . 52750 1
45 . 1 . 1 8 8 VAL HB H 1 2.074 0.000 . . . . . . . 8 VAL HB . 52750 1
46 . 1 . 1 8 8 VAL HG11 H 1 0.886 0.010 . . . . . . . 8 VAL HG# . 52750 1
47 . 1 . 1 8 8 VAL HG12 H 1 0.886 0.010 . . . . . . . 8 VAL HG# . 52750 1
48 . 1 . 1 8 8 VAL HG13 H 1 0.886 0.010 . . . . . . . 8 VAL HG# . 52750 1
49 . 1 . 1 8 8 VAL HG21 H 1 0.886 0.010 . . . . . . . 8 VAL HG# . 52750 1
50 . 1 . 1 8 8 VAL HG22 H 1 0.886 0.010 . . . . . . . 8 VAL HG# . 52750 1
51 . 1 . 1 8 8 VAL HG23 H 1 0.886 0.010 . . . . . . . 8 VAL HG# . 52750 1
52 . 1 . 1 9 9 LYS H H 1 8.295 0.011 . . . . . . . 9 LYS H . 52750 1
53 . 1 . 1 9 9 LYS HA H 1 4.225 0.007 . . . . . . . 9 LYS HA . 52750 1
54 . 1 . 1 9 9 LYS HB2 H 1 1.648 0.001 . . . . . . . 9 LYS HB# . 52750 1
55 . 1 . 1 9 9 LYS HB3 H 1 1.648 0.001 . . . . . . . 9 LYS HB# . 52750 1
56 . 1 . 1 9 9 LYS HD2 H 1 1.334 0.010 . . . . . . . 9 LYS HD# . 52750 1
57 . 1 . 1 9 9 LYS HD3 H 1 1.334 0.010 . . . . . . . 9 LYS HD# . 52750 1
58 . 1 . 1 10 10 HIS H H 1 7.233 0.008 . . . . . . . 10 HIS H . 52750 1
59 . 1 . 1 10 10 HIS HA H 1 4.713 0.071 . . . . . . . 10 HIS HA . 52750 1
60 . 1 . 1 10 10 HIS HB2 H 1 3.045 0.000 . . . . . . . 10 HIS HB# . 52750 1
61 . 1 . 1 10 10 HIS HB3 H 1 3.045 0.000 . . . . . . . 10 HIS HB# . 52750 1
62 . 1 . 1 11 11 PHE H H 1 8.342 0.003 . . . . . . . 11 PHE H . 52750 1
63 . 1 . 1 11 11 PHE HA H 1 4.783 0.004 . . . . . . . 11 PHE HA . 52750 1
64 . 1 . 1 11 11 PHE HB2 H 1 3.168 0.007 . . . . . . . 11 PHE HB2 . 52750 1
65 . 1 . 1 11 11 PHE HB3 H 1 3.053 0.007 . . . . . . . 11 PHE HB3 . 52750 1
66 . 1 . 1 12 12 SER H H 1 8.403 0.002 . . . . . . . 12 SER H . 52750 1
67 . 1 . 1 12 12 SER HA H 1 4.775 0.002 . . . . . . . 12 SER HA . 52750 1
68 . 1 . 1 12 12 SER HB2 H 1 3.826 0.006 . . . . . . . 12 SER HB# . 52750 1
69 . 1 . 1 12 12 SER HB3 H 1 3.826 0.006 . . . . . . . 12 SER HB# . 52750 1
70 . 1 . 1 13 13 PRO HA H 1 4.327 0.000 . . . . . . . 13 PRO HA . 52750 1
71 . 1 . 1 13 13 PRO HB2 H 1 2.339 0.004 . . . . . . . 13 PRO HB# . 52750 1
72 . 1 . 1 13 13 PRO HB3 H 1 2.339 0.004 . . . . . . . 13 PRO HB# . 52750 1
73 . 1 . 1 13 13 PRO HG2 H 1 2.029 0.009 . . . . . . . 13 PRO HG# . 52750 1
74 . 1 . 1 13 13 PRO HG3 H 1 2.029 0.009 . . . . . . . 13 PRO HG# . 52750 1
75 . 1 . 1 13 13 PRO HD2 H 1 3.740 0.017 . . . . . . . 13 PRO HD# . 52750 1
76 . 1 . 1 13 13 PRO HD3 H 1 3.740 0.017 . . . . . . . 13 PRO HD# . 52750 1
77 . 1 . 1 14 14 GLU H H 1 8.494 0.001 . . . . . . . 14 GLU H . 52750 1
78 . 1 . 1 14 14 GLU HA H 1 4.197 0.003 . . . . . . . 14 GLU HA . 52750 1
79 . 1 . 1 14 14 GLU HB2 H 1 1.974 0.052 . . . . . . . 14 GLU HB2 . 52750 1
80 . 1 . 1 14 14 GLU HB3 H 1 1.977 0.059 . . . . . . . 14 GLU HB3 . 52750 1
81 . 1 . 1 14 14 GLU HG2 H 1 2.261 0.005 . . . . . . . 14 GLU HG# . 52750 1
82 . 1 . 1 14 14 GLU HG3 H 1 2.261 0.005 . . . . . . . 14 GLU HG# . 52750 1
83 . 1 . 1 15 15 ASP H H 1 8.146 0.003 . . . . . . . 15 ASP H . 52750 1
84 . 1 . 1 15 15 ASP HA H 1 4.595 0.003 . . . . . . . 15 ASP HA . 52750 1
85 . 1 . 1 15 15 ASP HB2 H 1 2.764 0.005 . . . . . . . 15 ASP HB2 . 52750 1
86 . 1 . 1 15 15 ASP HB3 H 1 2.660 0.004 . . . . . . . 15 ASP HB3 . 52750 1
87 . 1 . 1 16 16 LEU H H 1 8.112 0.003 . . . . . . . 16 LEU H . 52750 1
88 . 1 . 1 16 16 LEU HA H 1 4.220 0.157 . . . . . . . 16 LEU HA . 52750 1
89 . 1 . 1 16 16 LEU HB2 H 1 1.671 0.005 . . . . . . . 16 LEU HB# . 52750 1
90 . 1 . 1 16 16 LEU HB3 H 1 1.671 0.005 . . . . . . . 16 LEU HB# . 52750 1
91 . 1 . 1 16 16 LEU HG H 1 1.422 0.004 . . . . . . . 16 LEU HG . 52750 1
92 . 1 . 1 16 16 LEU HD11 H 1 1.106 0.003 . . . . . . . 16 LEU HD1# . 52750 1
93 . 1 . 1 16 16 LEU HD12 H 1 1.106 0.003 . . . . . . . 16 LEU HD1# . 52750 1
94 . 1 . 1 16 16 LEU HD13 H 1 1.106 0.003 . . . . . . . 16 LEU HD1# . 52750 1
95 . 1 . 1 16 16 LEU HD21 H 1 0.822 0.002 . . . . . . . 16 LEU HD2# . 52750 1
96 . 1 . 1 16 16 LEU HD22 H 1 0.822 0.002 . . . . . . . 16 LEU HD2# . 52750 1
97 . 1 . 1 16 16 LEU HD23 H 1 0.822 0.002 . . . . . . . 16 LEU HD2# . 52750 1
98 . 1 . 1 17 17 THR H H 1 8.133 0.007 . . . . . . . 17 THR H . 52750 1
99 . 1 . 1 17 17 THR HA H 1 4.285 0.004 . . . . . . . 17 THR HA . 52750 1
100 . 1 . 1 17 17 THR HB H 1 4.187 0.003 . . . . . . . 17 THR HB . 52750 1
101 . 1 . 1 18 18 VAL H H 1 8.012 0.006 . . . . . . . 18 VAL H . 52750 1
102 . 1 . 1 18 18 VAL HA H 1 4.115 0.004 . . . . . . . 18 VAL HA . 52750 1
103 . 1 . 1 18 18 VAL HB H 1 2.085 0.001 . . . . . . . 18 VAL HB . 52750 1
104 . 1 . 1 18 18 VAL HG11 H 1 0.943 . . . . . . . . 18 VAL HG# . 52750 1
105 . 1 . 1 18 18 VAL HG12 H 1 0.943 . . . . . . . . 18 VAL HG# . 52750 1
106 . 1 . 1 18 18 VAL HG13 H 1 0.943 . . . . . . . . 18 VAL HG# . 52750 1
107 . 1 . 1 18 18 VAL HG21 H 1 0.943 . . . . . . . . 18 VAL HG# . 52750 1
108 . 1 . 1 18 18 VAL HG22 H 1 0.943 . . . . . . . . 18 VAL HG# . 52750 1
109 . 1 . 1 18 18 VAL HG23 H 1 0.943 . . . . . . . . 18 VAL HG# . 52750 1
110 . 1 . 1 19 19 LYS H H 1 8.341 0.003 . . . . . . . 19 LYS H . 52750 1
111 . 1 . 1 19 19 LYS HA H 1 4.661 0.002 . . . . . . . 19 LYS HA . 52750 1
112 . 1 . 1 19 19 LYS HB2 H 1 1.643 0.014 . . . . . . . 19 LYS HB# . 52750 1
113 . 1 . 1 19 19 LYS HB3 H 1 1.643 0.014 . . . . . . . 19 LYS HB# . 52750 1
114 . 1 . 1 19 19 LYS HG2 H 1 1.219 . . . . . . . . 19 LYS HG2 . 52750 1
115 . 1 . 1 19 19 LYS HD2 H 1 1.318 0.002 . . . . . . . 19 LYS HD2 . 52750 1
116 . 1 . 1 19 19 LYS HE2 H 1 3.060 . . . . . . . . 19 LYS HE# . 52750 1
117 . 1 . 1 19 19 LYS HE3 H 1 3.060 . . . . . . . . 19 LYS HE# . 52750 1
stop_
save_