Content for NMR-STAR saveframe, "3JHNHA"
save_3JHNHA
_Coupling_constant_list.Sf_category coupling_constants
_Coupling_constant_list.Sf_framecode 3JHNHA
_Coupling_constant_list.Entry_ID 16469
_Coupling_constant_list.ID 1
_Coupling_constant_list.Sample_condition_list_ID 1
_Coupling_constant_list.Sample_condition_list_label $sample_conditions_1
_Coupling_constant_list.Spectrometer_frequency_1H .
_Coupling_constant_list.Details
;
cross/auto peak ratios were corrected to account for the 2H proportion. Here,
D2O was at 10% conc., requiring ratios be divided by 0.9 or, alternatively, the
raw J values multiplied by an average tan-squared factor of 1.049. The critical
delay used was 17 ms. See Lohr et al., 1999.
;
_Coupling_constant_list.Text_data_format .
_Coupling_constant_list.Text_data .
loop_
_Coupling_constant_experiment.Experiment_ID
_Coupling_constant_experiment.Experiment_name
_Coupling_constant_experiment.Sample_ID
_Coupling_constant_experiment.Sample_label
_Coupling_constant_experiment.Sample_state
_Coupling_constant_experiment.Entry_ID
_Coupling_constant_experiment.Coupling_constant_list_ID
1 '3D-HA[HB,HN](CACO)NH quantitative J correlation' . . . 16469 1
stop_
loop_
_Coupling_constant.ID
_Coupling_constant.Code
_Coupling_constant.Assembly_atom_ID_1
_Coupling_constant.Entity_assembly_ID_1
_Coupling_constant.Entity_ID_1
_Coupling_constant.Comp_index_ID_1
_Coupling_constant.Seq_ID_1
_Coupling_constant.Comp_ID_1
_Coupling_constant.Atom_ID_1
_Coupling_constant.Atom_type_1
_Coupling_constant.Atom_isotope_number_1
_Coupling_constant.Ambiguity_code_1
_Coupling_constant.Assembly_atom_ID_2
_Coupling_constant.Entity_assembly_ID_2
_Coupling_constant.Entity_ID_2
_Coupling_constant.Comp_index_ID_2
_Coupling_constant.Seq_ID_2
_Coupling_constant.Comp_ID_2
_Coupling_constant.Atom_ID_2
_Coupling_constant.Atom_type_2
_Coupling_constant.Atom_isotope_number_2
_Coupling_constant.Ambiguity_code_2
_Coupling_constant.Val
_Coupling_constant.Val_min
_Coupling_constant.Val_max
_Coupling_constant.Val_err
_Coupling_constant.Resonance_ID_1
_Coupling_constant.Resonance_ID_2
_Coupling_constant.Auth_entity_assembly_ID_1
_Coupling_constant.Auth_seq_ID_1
_Coupling_constant.Auth_comp_ID_1
_Coupling_constant.Auth_atom_ID_1
_Coupling_constant.Auth_entity_assembly_ID_2
_Coupling_constant.Auth_seq_ID_2
_Coupling_constant.Auth_comp_ID_2
_Coupling_constant.Auth_atom_ID_2
_Coupling_constant.Details
_Coupling_constant.Entry_ID
_Coupling_constant.Coupling_constant_list_ID
1 3JHNHA . 1 1 2 2 CYS HN H 1 1 . 1 1 2 2 CYS HA H 1 1 2.07 . . 0.35 . . . . . . . . . . . 16469 1
2 3JHNHA . 1 1 3 3 ASP HN H 1 1 . 1 1 3 3 ASP HA H 1 1 6.80 . . 0.35 . . . . . . . . . . . 16469 1
3 3JHNHA . 1 1 4 4 TYR HN H 1 1 . 1 1 4 4 TYR HA H 1 1 8.74 . . 0.35 . . . . . . . . . . . 16469 1
4 3JHNHA . 1 1 5 5 THR HN H 1 1 . 1 1 5 5 THR HA H 1 1 9.47 . . 0.35 . . . . . . . . . . . 16469 1
5 3JHNHA . 1 1 6 6 CYS HN H 1 1 . 1 1 6 6 CYS HA H 1 1 7.88 . . 0.35 . . . . . . . . . . . 16469 1
6 3JHNHA . 1 1 8 8 SER HN H 1 1 . 1 1 8 8 SER HA H 1 1 6.74 . . 0.35 . . . . . . . . . . . 16469 1
7 3JHNHA . 1 1 9 9 ASN HN H 1 1 . 1 1 9 9 ASN HA H 1 1 8.52 . . 0.35 . . . . . . . . . . . 16469 1
8 3JHNHA . 1 1 10 10 CYS HN H 1 1 . 1 1 10 10 CYS HA H 1 1 8.38 . . 0.35 . . . . . . . . . . . 16469 1
9 3JHNHA . 1 1 11 11 TYR HN H 1 1 . 1 1 11 11 TYR HA H 1 1 9.51 . . 0.35 . . . . . . . . . . . 16469 1
10 3JHNHA . 1 1 12 12 SER HN H 1 1 . 1 1 12 12 SER HA H 1 1 7.91 . . 0.35 . . . . . . . . . . . 16469 1
11 3JHNHA . 1 1 14 14 SER HN H 1 1 . 1 1 14 14 SER HA H 1 1 4.91 . . 0.35 . . . . . . . . . . . 16469 1
12 3JHNHA . 1 1 15 15 ASP HN H 1 1 . 1 1 15 15 ASP HA H 1 1 4.30 . . 0.35 . . . . . . . . . . . 16469 1
13 3JHNHA . 1 1 16 16 VAL HN H 1 1 . 1 1 16 16 VAL HA H 1 1 5.14 . . 0.35 . . . . . . . . . . . 16469 1
14 3JHNHA . 1 1 18 18 THR HN H 1 1 . 1 1 18 18 THR HA H 1 1 3.63 . . 0.35 . . . . . . . . . . . 16469 1
15 3JHNHA . 1 1 19 19 ALA HN H 1 1 . 1 1 19 19 ALA HA H 1 1 4.29 . . 0.35 . . . . . . . . . . . 16469 1
16 3JHNHA . 1 1 20 20 GLN HN H 1 1 . 1 1 20 20 GLN HA H 1 1 3.08 . . 0.35 . . . . . . . . . . . 16469 1
17 3JHNHA . 1 1 21 21 ALA HN H 1 1 . 1 1 21 21 ALA HA H 1 1 3.73 . . 0.35 . . . . . . . . . . . 16469 1
18 3JHNHA . 1 1 22 22 ALA HN H 1 1 . 1 1 22 22 ALA HA H 1 1 5.33 . . 0.35 . . . . . . . . . . . 16469 1
19 3JHNHA . 1 1 24 24 TYR HN H 1 1 . 1 1 24 24 TYR HA H 1 1 3.50 . . 0.35 . . . . . . . . . . . 16469 1
20 3JHNHA . 1 1 25 25 LYS HN H 1 1 . 1 1 25 25 LYS HA H 1 1 4.13 . . 0.35 . . . . . . . . . . . 16469 1
21 3JHNHA . 1 1 26 26 LEU HN H 1 1 . 1 1 26 26 LEU HA H 1 1 4.65 . . 0.35 . . . . . . . . . . . 16469 1
22 3JHNHA . 1 1 27 27 HIS HN H 1 1 . 1 1 27 27 HIS HA H 1 1 6.88 . . 0.35 . . . . . . . . . . . 16469 1
23 3JHNHA . 1 1 28 28 GLU HN H 1 1 . 1 1 28 28 GLU HA H 1 1 4.20 . . 0.35 . . . . . . . . . . . 16469 1
24 3JHNHA . 1 1 29 29 ASP HN H 1 1 . 1 1 29 29 ASP HA H 1 1 5.83 . . 0.35 . . . . . . . . . . . 16469 1
25 3JHNHA . 1 1 31 31 GLU HN H 1 1 . 1 1 31 31 GLU HA H 1 1 9.13 . . 0.35 . . . . . . . . . . . 16469 1
26 3JHNHA . 1 1 32 32 THR HN H 1 1 . 1 1 32 32 THR HA H 1 1 8.77 . . 0.35 . . . . . . . . . . . 16469 1
27 3JHNHA . 1 1 33 33 VAL HN H 1 1 . 1 1 33 33 VAL HA H 1 1 8.61 . . 0.35 . . . . . . . . . . . 16469 1
28 3JHNHA . 1 1 36 36 ASN HN H 1 1 . 1 1 36 36 ASN HA H 1 1 4.95 . . 0.35 . . . . . . . . . . . 16469 1
29 3JHNHA . 1 1 37 37 SER HN H 1 1 . 1 1 37 37 SER HA H 1 1 6.54 . . 0.35 . . . . . . . . . . . 16469 1
30 3JHNHA . 1 1 40 40 HIS HN H 1 1 . 1 1 40 40 HIS HA H 1 1 7.96 . . 0.35 . . . . . . . . . . . 16469 1
31 3JHNHA . 1 1 41 41 LYS HN H 1 1 . 1 1 41 41 LYS HA H 1 1 2.54 . . 0.35 . . . . . . . . . . . 16469 1
32 3JHNHA . 1 1 42 42 TYR HN H 1 1 . 1 1 42 42 TYR HA H 1 1 8.65 . . 0.35 . . . . . . . . . . . 16469 1
33 3JHNHA . 1 1 43 43 ASN HN H 1 1 . 1 1 43 43 ASN HA H 1 1 5.63 . . 0.35 . . . . . . . . . . . 16469 1
34 3JHNHA . 1 1 45 45 TYR HN H 1 1 . 1 1 45 45 TYR HA H 1 1 4.27 . . 0.35 . . . . . . . . . . . 16469 1
35 3JHNHA . 1 1 46 46 GLU HN H 1 1 . 1 1 46 46 GLU HA H 1 1 4.11 . . 0.35 . . . . . . . . . . . 16469 1
36 3JHNHA . 1 1 48 48 PHE HN H 1 1 . 1 1 48 48 PHE HA H 1 1 5.00 . . 0.35 . . . . . . . . . . . 16469 1
37 3JHNHA . 1 1 49 49 ASP HN H 1 1 . 1 1 49 49 ASP HA H 1 1 7.50 . . 0.35 . . . . . . . . . . . 16469 1
38 3JHNHA . 1 1 50 50 PHE HN H 1 1 . 1 1 50 50 PHE HA H 1 1 6.11 . . 0.35 . . . . . . . . . . . 16469 1
39 3JHNHA . 1 1 51 51 SER HN H 1 1 . 1 1 51 51 SER HA H 1 1 6.72 . . 0.35 . . . . . . . . . . . 16469 1
40 3JHNHA . 1 1 52 52 VAL HN H 1 1 . 1 1 52 52 VAL HA H 1 1 8.58 . . 0.35 . . . . . . . . . . . 16469 1
41 3JHNHA . 1 1 53 53 SER HN H 1 1 . 1 1 53 53 SER HA H 1 1 4.00 . . 0.35 . . . . . . . . . . . 16469 1
42 3JHNHA . 1 1 56 56 TYR HN H 1 1 . 1 1 56 56 TYR HA H 1 1 8.92 . . 0.35 . . . . . . . . . . . 16469 1
43 3JHNHA . 1 1 57 57 TYR HN H 1 1 . 1 1 57 57 TYR HA H 1 1 9.30 . . 0.35 . . . . . . . . . . . 16469 1
44 3JHNHA . 1 1 58 58 GLU HN H 1 1 . 1 1 58 58 GLU HA H 1 1 9.41 . . 0.35 . . . . . . . . . . . 16469 1
45 3JHNHA . 1 1 61 61 ILE HN H 1 1 . 1 1 61 61 ILE HA H 1 1 7.84 . . 0.35 . . . . . . . . . . . 16469 1
46 3JHNHA . 1 1 62 62 LEU HN H 1 1 . 1 1 62 62 LEU HA H 1 1 8.38 . . 0.35 . . . . . . . . . . . 16469 1
47 3JHNHA . 1 1 63 63 SER HN H 1 1 . 1 1 63 63 SER HA H 1 1 3.22 . . 0.35 . . . . . . . . . . . 16469 1
48 3JHNHA . 1 1 64 64 SER HN H 1 1 . 1 1 64 64 SER HA H 1 1 4.89 . . 0.35 . . . . . . . . . . . 16469 1
49 3JHNHA . 1 1 66 66 ASP HN H 1 1 . 1 1 66 66 ASP HA H 1 1 7.02 . . 0.35 . . . . . . . . . . . 16469 1
50 3JHNHA . 1 1 67 67 VAL HN H 1 1 . 1 1 67 67 VAL HA H 1 1 7.55 . . 0.35 . . . . . . . . . . . 16469 1
51 3JHNHA . 1 1 68 68 TYR HN H 1 1 . 1 1 68 68 TYR HA H 1 1 3.98 . . 0.35 . . . . . . . . . . . 16469 1
52 3JHNHA . 1 1 75 75 ALA HN H 1 1 . 1 1 75 75 ALA HA H 1 1 6.68 . . 0.35 . . . . . . . . . . . 16469 1
53 3JHNHA . 1 1 76 76 ASP HN H 1 1 . 1 1 76 76 ASP HA H 1 1 8.63 . . 0.35 . . . . . . . . . . . 16469 1
54 3JHNHA . 1 1 77 77 ARG HN H 1 1 . 1 1 77 77 ARG HA H 1 1 9.44 . . 0.35 . . . . . . . . . . . 16469 1
55 3JHNHA . 1 1 78 78 VAL HN H 1 1 . 1 1 78 78 VAL HA H 1 1 8.11 . . 0.35 . . . . . . . . . . . 16469 1
56 3JHNHA . 1 1 79 79 VAL HN H 1 1 . 1 1 79 79 VAL HA H 1 1 9.86 . . 0.35 . . . . . . . . . . . 16469 1
57 3JHNHA . 1 1 80 80 PHE HN H 1 1 . 1 1 80 80 PHE HA H 1 1 9.79 . . 0.35 . . . . . . . . . . . 16469 1
58 3JHNHA . 1 1 81 81 ASN HN H 1 1 . 1 1 81 81 ASN HA H 1 1 9.76 . . 0.35 . . . . . . . . . . . 16469 1
59 3JHNHA . 1 1 82 82 GLU HN H 1 1 . 1 1 82 82 GLU HA H 1 1 2.91 . . 0.35 . . . . . . . . . . . 16469 1
60 3JHNHA . 1 1 83 83 ASN HN H 1 1 . 1 1 83 83 ASN HA H 1 1 9.12 . . 0.35 . . . . . . . . . . . 16469 1
61 3JHNHA . 1 1 84 84 ASN HN H 1 1 . 1 1 84 84 ASN HA H 1 1 7.51 . . 0.35 . . . . . . . . . . . 16469 1
62 3JHNHA . 1 1 85 85 GLN HN H 1 1 . 1 1 85 85 GLN HA H 1 1 9.01 . . 0.35 . . . . . . . . . . . 16469 1
63 3JHNHA . 1 1 86 86 LEU HN H 1 1 . 1 1 86 86 LEU HA H 1 1 5.21 . . 0.35 . . . . . . . . . . . 16469 1
64 3JHNHA . 1 1 87 87 ALA HN H 1 1 . 1 1 87 87 ALA HA H 1 1 8.27 . . 0.35 . . . . . . . . . . . 16469 1
65 3JHNHA . 1 1 89 89 VAL HN H 1 1 . 1 1 89 89 VAL HA H 1 1 9.18 . . 0.35 . . . . . . . . . . . 16469 1
66 3JHNHA . 1 1 90 90 ILE HN H 1 1 . 1 1 90 90 ILE HA H 1 1 8.96 . . 0.35 . . . . . . . . . . . 16469 1
67 3JHNHA . 1 1 91 91 THR HN H 1 1 . 1 1 91 91 THR HA H 1 1 9.16 . . 0.35 . . . . . . . . . . . 16469 1
68 3JHNHA . 1 1 92 92 HIS HN H 1 1 . 1 1 92 92 HIS HA H 1 1 7.69 . . 0.35 . . . . . . . . . . . 16469 1
69 3JHNHA . 1 1 93 93 THR HN H 1 1 . 1 1 93 93 THR HA H 1 1 4.22 . . 0.35 . . . . . . . . . . . 16469 1
70 3JHNHA . 1 1 95 95 ALA HN H 1 1 . 1 1 95 95 ALA HA H 1 1 7.74 . . 0.35 . . . . . . . . . . . 16469 1
71 3JHNHA . 1 1 96 96 SER HN H 1 1 . 1 1 96 96 SER HA H 1 1 7.19 . . 0.35 . . . . . . . . . . . 16469 1
72 3JHNHA . 1 1 98 98 ASN HN H 1 1 . 1 1 98 98 ASN HA H 1 1 6.04 . . 0.35 . . . . . . . . . . . 16469 1
73 3JHNHA . 1 1 99 99 ASN HN H 1 1 . 1 1 99 99 ASN HA H 1 1 6.85 . . 0.35 . . . . . . . . . . . 16469 1
74 3JHNHA . 1 1 100 100 PHE HN H 1 1 . 1 1 100 100 PHE HA H 1 1 9.39 . . 0.35 . . . . . . . . . . . 16469 1
75 3JHNHA . 1 1 101 101 VAL HN H 1 1 . 1 1 101 101 VAL HA H 1 1 8.46 . . 0.35 . . . . . . . . . . . 16469 1
76 3JHNHA . 1 1 102 102 GLU HN H 1 1 . 1 1 102 102 GLU HA H 1 1 4.86 . . 0.35 . . . . . . . . . . . 16469 1
77 3JHNHA . 1 1 103 103 CYS HN H 1 1 . 1 1 103 103 CYS HA H 1 1 7.77 . . 0.35 . . . . . . . . . . . 16469 1
stop_
save_