Content for NMR-STAR saveframe, "heteronucl_T2_relaxation_1"
save_heteronucl_T2_relaxation_1
_Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation
_Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_1
_Heteronucl_T2_list.Entry_ID 51065
_Heteronucl_T2_list.ID 1
_Heteronucl_T2_list.Name 'T2/R2 in S100A9'
_Heteronucl_T2_list.Sample_condition_list_ID 1
_Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1
_Heteronucl_T2_list.Temp_calibration_method methanol
_Heteronucl_T2_list.Temp_control_method 'single scan interleaving and temperature compensation block'
_Heteronucl_T2_list.Spectrometer_frequency_1H 900.1
_Heteronucl_T2_list.T2_coherence_type I(+,-)
_Heteronucl_T2_list.T2_val_units s-1
_Heteronucl_T2_list.Rex_units .
_Heteronucl_T2_list.Details
;
Additional values:
108* G 3.59 0.78
109* L 2.69 0.67
112* G 3.99 0.77
113* T 1.16 0.23
;
_Heteronucl_T2_list.Text_data_format .
_Heteronucl_T2_list.Text_data .
loop_
_Heteronucl_T2_experiment.Experiment_ID
_Heteronucl_T2_experiment.Experiment_name
_Heteronucl_T2_experiment.Sample_ID
_Heteronucl_T2_experiment.Sample_label
_Heteronucl_T2_experiment.Sample_state
_Heteronucl_T2_experiment.Entry_ID
_Heteronucl_T2_experiment.Heteronucl_T2_list_ID
18 'T2/R2 relaxation' . . . 51065 1
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loop_
_Heteronucl_T2_software.Software_ID
_Heteronucl_T2_software.Software_label
_Heteronucl_T2_software.Method_ID
_Heteronucl_T2_software.Method_label
_Heteronucl_T2_software.Entry_ID
_Heteronucl_T2_software.Heteronucl_T2_list_ID
1 $software_1 . . 51065 1
2 $software_2 . . 51065 1
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loop_
_T2.ID
_T2.Assembly_atom_ID
_T2.Entity_assembly_ID
_T2.Entity_ID
_T2.Comp_index_ID
_T2.Seq_ID
_T2.Comp_ID
_T2.Atom_ID
_T2.Atom_type
_T2.Atom_isotope_number
_T2.T2_val
_T2.T2_val_err
_T2.Rex_val
_T2.Rex_err
_T2.Resonance_ID
_T2.Auth_entity_assembly_ID
_T2.Auth_seq_ID
_T2.Auth_comp_ID
_T2.Auth_atom_ID
_T2.Entry_ID
_T2.Heteronucl_T2_list_ID
1 . 2 2 7 7 GLN N N 15 25.18 2.13 . . . . . . . 51065 1
2 . 2 2 8 8 LEU N N 15 27.83 2.33 . . . . . . . 51065 1
3 . 2 2 9 9 GLU N N 15 21.72 2.87 . . . . . . . 51065 1
4 . 2 2 10 10 ARG N N 15 24.89 1.51 . . . . . . . 51065 1
5 . 2 2 11 11 ASN N N 15 25.97 1.05 . . . . . . . 51065 1
6 . 2 2 13 13 GLU N N 15 28.76 0.43 . . . . . . . 51065 1
7 . 2 2 14 14 THR N N 15 28.78 0.95 . . . . . . . 51065 1
8 . 2 2 15 15 ILE N N 15 29.43 0.67 . . . . . . . 51065 1
9 . 2 2 16 16 ILE N N 15 30.33 1.75 . . . . . . . 51065 1
10 . 2 2 17 17 ASN N N 15 32.52 1.17 . . . . . . . 51065 1
11 . 2 2 19 19 PHE N N 15 27.69 1.99 . . . . . . . 51065 1
12 . 2 2 20 20 HIS N N 15 35.4 3.66 . . . . . . . 51065 1
13 . 2 2 21 21 GLN N N 15 34.57 1.47 . . . . . . . 51065 1
14 . 2 2 22 22 TYR N N 15 33.11 1.47 . . . . . . . 51065 1
15 . 2 2 23 23 SER N N 15 24.92 0.83 . . . . . . . 51065 1
16 . 2 2 24 24 VAL N N 15 35.56 1.75 . . . . . . . 51065 1
17 . 2 2 25 25 LYS N N 15 29.46 1.03 . . . . . . . 51065 1
18 . 2 2 26 26 LEU N N 15 32.79 1.7 . . . . . . . 51065 1
19 . 2 2 27 27 GLY N N 15 29.83 0.78 . . . . . . . 51065 1
20 . 2 2 28 28 HIS N N 15 50.35 4.41 . . . . . . . 51065 1
21 . 2 2 30 30 ASP N N 15 33.58 3.88 . . . . . . . 51065 1
22 . 2 2 31 31 THR N N 15 27.26 1.15 . . . . . . . 51065 1
23 . 2 2 32 32 LEU N N 15 24.5 0.82 . . . . . . . 51065 1
24 . 2 2 33 33 ASN N N 15 32.35 1 . . . . . . . 51065 1
25 . 2 2 34 34 GLN N N 15 29.21 1.16 . . . . . . . 51065 1
26 . 2 2 35 35 GLY N N 15 30.51 0.6 . . . . . . . 51065 1
27 . 2 2 36 36 GLU N N 15 28.6 1.26 . . . . . . . 51065 1
28 . 2 2 37 37 PHE N N 15 36.22 1.23 . . . . . . . 51065 1
29 . 2 2 38 38 LYS N N 15 29.25 0.59 . . . . . . . 51065 1
30 . 2 2 39 39 GLU N N 15 25.8 0.69 . . . . . . . 51065 1
31 . 2 2 40 40 LEU N N 15 31.28 0.54 . . . . . . . 51065 1
32 . 2 2 41 41 VAL N N 15 28.06 6.68 . . . . . . . 51065 1
33 . 2 2 42 42 ARG N N 15 29.95 1.49 . . . . . . . 51065 1
34 . 2 2 43 43 LYS N N 15 22.36 0.93 . . . . . . . 51065 1
35 . 2 2 44 44 ASP N N 15 29.23 0.78 . . . . . . . 51065 1
36 . 2 2 45 45 LEU N N 15 31.51 0.5 . . . . . . . 51065 1
37 . 2 2 46 46 GLN N N 15 29.74 0.42 . . . . . . . 51065 1
38 . 2 2 47 47 ASN N N 15 31.76 1.71 . . . . . . . 51065 1
39 . 2 2 48 48 PHE N N 15 40.13 3.45 . . . . . . . 51065 1
40 . 2 2 49 49 LEU N N 15 34.6 3.3 . . . . . . . 51065 1
41 . 2 2 50 50 LYS N N 15 32.09 0.78 . . . . . . . 51065 1
42 . 2 2 51 51 LYS N N 15 33.47 10.54 . . . . . . . 51065 1
43 . 2 2 52 52 GLU N N 15 26.95 1.35 . . . . . . . 51065 1
44 . 2 2 56 56 GLU N N 15 47.66 2.54 . . . . . . . 51065 1
45 . 2 2 57 57 LYS N N 15 27.14 1.19 . . . . . . . 51065 1
46 . 2 2 58 58 VAL N N 15 31.13 5.01 . . . . . . . 51065 1
47 . 2 2 60 60 GLU N N 15 32.24 0.74 . . . . . . . 51065 1
48 . 2 2 61 61 HIS N N 15 34.51 1.44 . . . . . . . 51065 1
49 . 2 2 62 62 ILE N N 15 43.18 5.11 . . . . . . . 51065 1
50 . 2 2 63 63 MET N N 15 31.06 0.9 . . . . . . . 51065 1
51 . 2 2 64 64 GLU N N 15 26.82 0.48 . . . . . . . 51065 1
52 . 2 2 65 65 ASP N N 15 28.17 0.33 . . . . . . . 51065 1
53 . 2 2 66 66 LEU N N 15 26.96 0.62 . . . . . . . 51065 1
54 . 2 2 67 67 ASP N N 15 26.38 0.4 . . . . . . . 51065 1
55 . 2 2 69 69 ASN N N 15 25.07 0.57 . . . . . . . 51065 1
56 . 2 2 70 70 ALA N N 15 27.25 0.57 . . . . . . . 51065 1
57 . 2 2 71 71 ASP N N 15 29.68 0.66 . . . . . . . 51065 1
58 . 2 2 72 72 LYS N N 15 30.12 0.47 . . . . . . . 51065 1
59 . 2 2 73 73 GLN N N 15 26.16 0.51 . . . . . . . 51065 1
60 . 2 2 74 74 LEU N N 15 27.01 0.68 . . . . . . . 51065 1
61 . 2 2 75 75 SER N N 15 32.33 1.29 . . . . . . . 51065 1
62 . 2 2 76 76 PHE N N 15 26.49 1.4 . . . . . . . 51065 1
63 . 2 2 77 77 GLU N N 15 28.69 1.04 . . . . . . . 51065 1
64 . 2 2 78 78 GLU N N 15 30.81 1.05 . . . . . . . 51065 1
65 . 2 2 79 79 PHE N N 15 23.35 0.95 . . . . . . . 51065 1
66 . 2 2 80 80 ILE N N 15 32.18 1.27 . . . . . . . 51065 1
67 . 2 2 81 81 MET N N 15 35.78 0.97 . . . . . . . 51065 1
68 . 2 2 82 82 LEU N N 15 36.28 1.96 . . . . . . . 51065 1
69 . 2 2 84 84 ALA N N 15 29.67 0.63 . . . . . . . 51065 1
70 . 2 2 85 85 ARG N N 15 31.27 1.12 . . . . . . . 51065 1
71 . 2 2 86 86 LEU N N 15 29.59 1.15 . . . . . . . 51065 1
72 . 2 2 88 88 TRP N N 15 31.53 1.6 . . . . . . . 51065 1
73 . 2 2 89 89 ALA N N 15 32.36 1.27 . . . . . . . 51065 1
74 . 2 2 90 90 SER N N 15 31.89 1.71 . . . . . . . 51065 1
75 . 2 2 91 91 HIS N N 15 33.12 1.76 . . . . . . . 51065 1
76 . 2 2 93 93 LYS N N 15 13.28 0.94 . . . . . . . 51065 1
77 . 2 2 94 94 MET N N 15 13.85 0.93 . . . . . . . 51065 1
78 . 2 2 99 99 GLU N N 15 6.13 0.5 . . . . . . . 51065 1
79 . 2 2 100 100 GLY N N 15 5.45 0.57 . . . . . . . 51065 1
80 . 2 2 102 102 GLY N N 15 4.66 0.66 . . . . . . . 51065 1
81 . 2 2 103 103 HIS N N 15 3.9 0.71 . . . . . . . 51065 1
82 . 2 2 104 104 HIS N N 15 4.24 0.84 . . . . . . . 51065 1
83 . 2 2 105 105 HIS N N 15 3.72 0.71 . . . . . . . 51065 1
84 . 2 2 108 108 GLY N N 15 3.84 0.78 . . . . . . . 51065 1
85 . 2 2 109 109 LEU N N 15 2.44 0.62 . . . . . . . 51065 1
86 . 2 2 110 110 GLY N N 15 3.15 0.7 . . . . . . . 51065 1
87 . 2 2 111 111 GLU N N 15 1.89 0.54 . . . . . . . 51065 1
88 . 2 2 112 112 GLY N N 15 1.91 0.61 . . . . . . . 51065 1
89 . 2 2 113 113 THR N N 15 0.64 0.55 . . . . . . . 51065 1
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