Content for NMR-STAR saveframe, "heteronucl_NOEs_2"
save_heteronucl_NOEs_2
_Heteronucl_NOE_list.Sf_category heteronucl_NOEs
_Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_2
_Heteronucl_NOE_list.Entry_ID 51066
_Heteronucl_NOE_list.ID 2
_Heteronucl_NOE_list.Name 'hetNOE in S100A9 in the presence of excess Ca(II) ions'
_Heteronucl_NOE_list.Sample_condition_list_ID 1
_Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1
_Heteronucl_NOE_list.Spectrometer_frequency_1H 900.1
_Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height'
_Heteronucl_NOE_list.NOE_ref_val 0
_Heteronucl_NOE_list.NOE_ref_description .
_Heteronucl_NOE_list.Details
;
Additional values:
108* G 0.3 0.03
112* G 0.12 0.01
113* T 0.17 0.02
;
_Heteronucl_NOE_list.Text_data_format .
_Heteronucl_NOE_list.Text_data .
loop_
_Heteronucl_NOE_experiment.Experiment_ID
_Heteronucl_NOE_experiment.Experiment_name
_Heteronucl_NOE_experiment.Sample_ID
_Heteronucl_NOE_experiment.Sample_label
_Heteronucl_NOE_experiment.Sample_state
_Heteronucl_NOE_experiment.Entry_ID
_Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID
20 '1H-15N hetNOE' . . . 51066 2
stop_
loop_
_Heteronucl_NOE_software.Software_ID
_Heteronucl_NOE_software.Software_label
_Heteronucl_NOE_software.Method_ID
_Heteronucl_NOE_software.Method_label
_Heteronucl_NOE_software.Entry_ID
_Heteronucl_NOE_software.Heteronucl_NOE_list_ID
1 $software_1 . . 51066 2
2 $software_2 . . 51066 2
stop_
loop_
_Heteronucl_NOE.ID
_Heteronucl_NOE.Assembly_atom_ID_1
_Heteronucl_NOE.Entity_assembly_ID_1
_Heteronucl_NOE.Entity_ID_1
_Heteronucl_NOE.Comp_index_ID_1
_Heteronucl_NOE.Seq_ID_1
_Heteronucl_NOE.Comp_ID_1
_Heteronucl_NOE.Atom_ID_1
_Heteronucl_NOE.Atom_type_1
_Heteronucl_NOE.Atom_isotope_number_1
_Heteronucl_NOE.Assembly_atom_ID_2
_Heteronucl_NOE.Entity_assembly_ID_2
_Heteronucl_NOE.Entity_ID_2
_Heteronucl_NOE.Comp_index_ID_2
_Heteronucl_NOE.Seq_ID_2
_Heteronucl_NOE.Comp_ID_2
_Heteronucl_NOE.Atom_ID_2
_Heteronucl_NOE.Atom_type_2
_Heteronucl_NOE.Atom_isotope_number_2
_Heteronucl_NOE.Val
_Heteronucl_NOE.Val_err
_Heteronucl_NOE.Resonance_ID_1
_Heteronucl_NOE.Resonance_ID_2
_Heteronucl_NOE.Auth_entity_assembly_ID_1
_Heteronucl_NOE.Auth_seq_ID_1
_Heteronucl_NOE.Auth_comp_ID_1
_Heteronucl_NOE.Auth_atom_ID_1
_Heteronucl_NOE.Auth_entity_assembly_ID_2
_Heteronucl_NOE.Auth_seq_ID_2
_Heteronucl_NOE.Auth_comp_ID_2
_Heteronucl_NOE.Auth_atom_ID_2
_Heteronucl_NOE.Entry_ID
_Heteronucl_NOE.Heteronucl_NOE_list_ID
1 . 2 2 4 4 LYS N N 15 . 2 2 4 4 LYS H H 1 4.6 0.28 . . . . . . . . . . 51066 2
2 . 2 2 5 5 MET N N 15 . 2 2 5 5 MET H H 1 11.48 0.32 . . . . . . . . . . 51066 2
3 . 2 2 7 7 GLN N N 15 . 2 2 7 7 GLN H H 1 25.03 1.79 . . . . . . . . . . 51066 2
4 . 2 2 8 8 LEU N N 15 . 2 2 8 8 LEU H H 1 28.79 3.02 . . . . . . . . . . 51066 2
5 . 2 2 9 9 GLU N N 15 . 2 2 9 9 GLU H H 1 28.54 1.43 . . . . . . . . . . 51066 2
6 . 2 2 10 10 ARG N N 15 . 2 2 10 10 ARG H H 1 23.98 0.93 . . . . . . . . . . 51066 2
7 . 2 2 11 11 ASN N N 15 . 2 2 11 11 ASN H H 1 26.46 0.38 . . . . . . . . . . 51066 2
8 . 2 2 14 14 THR N N 15 . 2 2 14 14 THR H H 1 28.92 0.65 . . . . . . . . . . 51066 2
9 . 2 2 15 15 ILE N N 15 . 2 2 15 15 ILE H H 1 28.84 0.88 . . . . . . . . . . 51066 2
10 . 2 2 17 17 ASN N N 15 . 2 2 17 17 ASN H H 1 28.56 1.52 . . . . . . . . . . 51066 2
11 . 2 2 18 18 THR N N 15 . 2 2 18 18 THR H H 1 28.6 0.88 . . . . . . . . . . 51066 2
12 . 2 2 19 19 PHE N N 15 . 2 2 19 19 PHE H H 1 28.02 1.17 . . . . . . . . . . 51066 2
13 . 2 2 20 20 HIS N N 15 . 2 2 20 20 HIS H H 1 29.33 1.36 . . . . . . . . . . 51066 2
14 . 2 2 21 21 GLN N N 15 . 2 2 21 21 GLN H H 1 33.67 0.57 . . . . . . . . . . 51066 2
15 . 2 2 22 22 TYR N N 15 . 2 2 22 22 TYR H H 1 27.26 0.59 . . . . . . . . . . 51066 2
16 . 2 2 23 23 SER N N 15 . 2 2 23 23 SER H H 1 26.41 0.73 . . . . . . . . . . 51066 2
17 . 2 2 24 24 VAL N N 15 . 2 2 24 24 VAL H H 1 32.79 0.69 . . . . . . . . . . 51066 2
18 . 2 2 25 25 LYS N N 15 . 2 2 25 25 LYS H H 1 27.51 0.57 . . . . . . . . . . 51066 2
19 . 2 2 26 26 LEU N N 15 . 2 2 26 26 LEU H H 1 26.23 0.53 . . . . . . . . . . 51066 2
20 . 2 2 31 31 THR N N 15 . 2 2 31 31 THR H H 1 22.71 0.99 . . . . . . . . . . 51066 2
21 . 2 2 32 32 LEU N N 15 . 2 2 32 32 LEU H H 1 23.93 0.62 . . . . . . . . . . 51066 2
22 . 2 2 33 33 ASN N N 15 . 2 2 33 33 ASN H H 1 23.47 1.36 . . . . . . . . . . 51066 2
23 . 2 2 34 34 GLN N N 15 . 2 2 34 34 GLN H H 1 24.55 0.52 . . . . . . . . . . 51066 2
24 . 2 2 35 35 GLY N N 15 . 2 2 35 35 GLY H H 1 27.34 0.87 . . . . . . . . . . 51066 2
25 . 2 2 36 36 GLU N N 15 . 2 2 36 36 GLU H H 1 23.79 0.49 . . . . . . . . . . 51066 2
26 . 2 2 37 37 PHE N N 15 . 2 2 37 37 PHE H H 1 26.39 0.51 . . . . . . . . . . 51066 2
27 . 2 2 38 38 LYS N N 15 . 2 2 38 38 LYS H H 1 31.18 1.33 . . . . . . . . . . 51066 2
28 . 2 2 39 39 GLU N N 15 . 2 2 39 39 GLU H H 1 28.18 0.56 . . . . . . . . . . 51066 2
29 . 2 2 40 40 LEU N N 15 . 2 2 40 40 LEU H H 1 24.84 0.42 . . . . . . . . . . 51066 2
30 . 2 2 41 41 VAL N N 15 . 2 2 41 41 VAL H H 1 28.13 0.4 . . . . . . . . . . 51066 2
31 . 2 2 42 42 ARG N N 15 . 2 2 42 42 ARG H H 1 27.18 0.62 . . . . . . . . . . 51066 2
32 . 2 2 43 43 LYS N N 15 . 2 2 43 43 LYS H H 1 26.41 0.31 . . . . . . . . . . 51066 2
33 . 2 2 44 44 ASP N N 15 . 2 2 44 44 ASP H H 1 24.89 0.55 . . . . . . . . . . 51066 2
34 . 2 2 45 45 LEU N N 15 . 2 2 45 45 LEU H H 1 26.56 0.87 . . . . . . . . . . 51066 2
35 . 2 2 46 46 GLN N N 15 . 2 2 46 46 GLN H H 1 25.34 0.19 . . . . . . . . . . 51066 2
36 . 2 2 47 47 ASN N N 15 . 2 2 47 47 ASN H H 1 29.3 2.47 . . . . . . . . . . 51066 2
37 . 2 2 48 48 PHE N N 15 . 2 2 48 48 PHE H H 1 22.85 0.71 . . . . . . . . . . 51066 2
38 . 2 2 49 49 LEU N N 15 . 2 2 49 49 LEU H H 1 25.3 0.23 . . . . . . . . . . 51066 2
39 . 2 2 50 50 LYS N N 15 . 2 2 50 50 LYS H H 1 24.83 0.41 . . . . . . . . . . 51066 2
40 . 2 2 51 51 LYS N N 15 . 2 2 51 51 LYS H H 1 27.73 0.53 . . . . . . . . . . 51066 2
41 . 2 2 52 52 GLU N N 15 . 2 2 52 52 GLU H H 1 25.62 0.47 . . . . . . . . . . 51066 2
42 . 2 2 53 53 ASN N N 15 . 2 2 53 53 ASN H H 1 26.36 0.76 . . . . . . . . . . 51066 2
43 . 2 2 54 54 LYS N N 15 . 2 2 54 54 LYS H H 1 27.44 0.28 . . . . . . . . . . 51066 2
44 . 2 2 55 55 ASN N N 15 . 2 2 55 55 ASN H H 1 24.19 0.35 . . . . . . . . . . 51066 2
45 . 2 2 56 56 GLU N N 15 . 2 2 56 56 GLU H H 1 23.47 1.4 . . . . . . . . . . 51066 2
46 . 2 2 57 57 LYS N N 15 . 2 2 57 57 LYS H H 1 25.89 0.18 . . . . . . . . . . 51066 2
47 . 2 2 58 58 VAL N N 15 . 2 2 58 58 VAL H H 1 24.61 0.42 . . . . . . . . . . 51066 2
48 . 2 2 59 59 ILE N N 15 . 2 2 59 59 ILE H H 1 26.11 0.37 . . . . . . . . . . 51066 2
49 . 2 2 60 60 GLU N N 15 . 2 2 60 60 GLU H H 1 30.83 0.77 . . . . . . . . . . 51066 2
50 . 2 2 61 61 HIS N N 15 . 2 2 61 61 HIS H H 1 26.86 0.4 . . . . . . . . . . 51066 2
51 . 2 2 62 62 ILE N N 15 . 2 2 62 62 ILE H H 1 26.72 0.64 . . . . . . . . . . 51066 2
52 . 2 2 63 63 MET N N 15 . 2 2 63 63 MET H H 1 27.59 0.69 . . . . . . . . . . 51066 2
53 . 2 2 64 64 GLU N N 15 . 2 2 64 64 GLU H H 1 26.32 0.28 . . . . . . . . . . 51066 2
54 . 2 2 65 65 ASP N N 15 . 2 2 65 65 ASP H H 1 26.85 0.56 . . . . . . . . . . 51066 2
55 . 2 2 66 66 LEU N N 15 . 2 2 66 66 LEU H H 1 27.29 0.8 . . . . . . . . . . 51066 2
56 . 2 2 67 67 ASP N N 15 . 2 2 67 67 ASP H H 1 26.61 0.65 . . . . . . . . . . 51066 2
57 . 2 2 68 68 THR N N 15 . 2 2 68 68 THR H H 1 25.71 0.37 . . . . . . . . . . 51066 2
58 . 2 2 69 69 ASN N N 15 . 2 2 69 69 ASN H H 1 24.98 0.27 . . . . . . . . . . 51066 2
59 . 2 2 70 70 ALA N N 15 . 2 2 70 70 ALA H H 1 25.49 0.45 . . . . . . . . . . 51066 2
60 . 2 2 71 71 ASP N N 15 . 2 2 71 71 ASP H H 1 26.6 0.83 . . . . . . . . . . 51066 2
61 . 2 2 72 72 LYS N N 15 . 2 2 72 72 LYS H H 1 28.41 0.48 . . . . . . . . . . 51066 2
62 . 2 2 73 73 GLN N N 15 . 2 2 73 73 GLN H H 1 25.48 0.52 . . . . . . . . . . 51066 2
63 . 2 2 74 74 LEU N N 15 . 2 2 74 74 LEU H H 1 21.33 1.95 . . . . . . . . . . 51066 2
64 . 2 2 75 75 SER N N 15 . 2 2 75 75 SER H H 1 26.33 1.41 . . . . . . . . . . 51066 2
65 . 2 2 76 76 PHE N N 15 . 2 2 76 76 PHE H H 1 29.59 1.01 . . . . . . . . . . 51066 2
66 . 2 2 77 77 GLU N N 15 . 2 2 77 77 GLU H H 1 26.16 1.02 . . . . . . . . . . 51066 2
67 . 2 2 78 78 GLU N N 15 . 2 2 78 78 GLU H H 1 28.08 0.51 . . . . . . . . . . 51066 2
68 . 2 2 79 79 PHE N N 15 . 2 2 79 79 PHE H H 1 27.55 0.77 . . . . . . . . . . 51066 2
69 . 2 2 80 80 ILE N N 15 . 2 2 80 80 ILE H H 1 28.87 0.55 . . . . . . . . . . 51066 2
70 . 2 2 81 81 MET N N 15 . 2 2 81 81 MET H H 1 36 0.96 . . . . . . . . . . 51066 2
71 . 2 2 82 82 LEU N N 15 . 2 2 82 82 LEU H H 1 32.78 2.33 . . . . . . . . . . 51066 2
72 . 2 2 83 83 MET N N 15 . 2 2 83 83 MET H H 1 26.07 1.75 . . . . . . . . . . 51066 2
73 . 2 2 84 84 ALA N N 15 . 2 2 84 84 ALA H H 1 44.13 3.02 . . . . . . . . . . 51066 2
74 . 2 2 85 85 ARG N N 15 . 2 2 85 85 ARG H H 1 31.92 0.83 . . . . . . . . . . 51066 2
75 . 2 2 86 86 LEU N N 15 . 2 2 86 86 LEU H H 1 27.73 0.52 . . . . . . . . . . 51066 2
76 . 2 2 88 88 TRP N N 15 . 2 2 88 88 TRP H H 1 28.98 1.16 . . . . . . . . . . 51066 2
77 . 2 2 89 89 ALA N N 15 . 2 2 89 89 ALA H H 1 33.01 1.21 . . . . . . . . . . 51066 2
78 . 2 2 90 90 SER N N 15 . 2 2 90 90 SER H H 1 24.92 1.15 . . . . . . . . . . 51066 2
79 . 2 2 91 91 HIS N N 15 . 2 2 91 91 HIS H H 1 24.53 1.27 . . . . . . . . . . 51066 2
80 . 2 2 92 92 GLU N N 15 . 2 2 92 92 GLU H H 1 32.79 0.91 . . . . . . . . . . 51066 2
81 . 2 2 93 93 LYS N N 15 . 2 2 93 93 LYS H H 1 27.16 0.91 . . . . . . . . . . 51066 2
82 . 2 2 94 94 MET N N 15 . 2 2 94 94 MET H H 1 25.32 0.51 . . . . . . . . . . 51066 2
83 . 2 2 95 95 HIS N N 15 . 2 2 95 95 HIS H H 1 24.6 1.02 . . . . . . . . . . 51066 2
84 . 2 2 96 96 GLU N N 15 . 2 2 96 96 GLU H H 1 14.42 0.39 . . . . . . . . . . 51066 2
85 . 2 2 97 97 GLY N N 15 . 2 2 97 97 GLY H H 1 11.2 0.24 . . . . . . . . . . 51066 2
86 . 2 2 98 98 ASP N N 15 . 2 2 98 98 ASP H H 1 9.61 0.2 . . . . . . . . . . 51066 2
87 . 2 2 99 99 GLU N N 15 . 2 2 99 99 GLU H H 1 7.33 0.14 . . . . . . . . . . 51066 2
88 . 2 2 100 100 GLY N N 15 . 2 2 100 100 GLY H H 1 6.47 0.18 . . . . . . . . . . 51066 2
89 . 2 2 102 102 GLY N N 15 . 2 2 102 102 GLY H H 1 5.17 0.3 . . . . . . . . . . 51066 2
90 . 2 2 103 103 HIS N N 15 . 2 2 103 103 HIS H H 1 7.97 0.26 . . . . . . . . . . 51066 2
91 . 2 2 104 104 HIS N N 15 . 2 2 104 104 HIS H H 1 6.63 0.4 . . . . . . . . . . 51066 2
92 . 2 2 105 105 HIS N N 15 . 2 2 105 105 HIS H H 1 5.43 0.54 . . . . . . . . . . 51066 2
93 . 2 2 108 108 GLY N N 15 . 2 2 108 108 GLY H H 1 5.76 0.21 . . . . . . . . . . 51066 2
94 . 2 2 109 109 LEU N N 15 . 2 2 109 109 LEU H H 1 4.79 0.13 . . . . . . . . . . 51066 2
95 . 2 2 110 110 GLY N N 15 . 2 2 110 110 GLY H H 1 5.55 0.21 . . . . . . . . . . 51066 2
96 . 2 2 111 111 GLU N N 15 . 2 2 111 111 GLU H H 1 3.67 0.16 . . . . . . . . . . 51066 2
97 . 2 2 112 112 GLY N N 15 . 2 2 112 112 GLY H H 1 3.83 0.25 . . . . . . . . . . 51066 2
98 . 2 2 113 113 THR N N 15 . 2 2 113 113 THR H H 1 2 0.18 . . . . . . . . . . 51066 2
stop_
save_