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 51744
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Abp-SH3 0mM'
_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-15N HSQC' . . . 51744 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 . . 51744 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 4 4 LYS H H 1 8.568 0.00 . 1 . . . . . -1 LYS HN . 51744 1
2 . 1 . 1 4 4 LYS N N 15 123.216 0.00 . 1 . . . . . -1 LYS N . 51744 1
3 . 1 . 1 5 5 GLU H H 1 8.197 0.00 . 1 . . . . . 0 GLU HN . 51744 1
4 . 1 . 1 5 5 GLU N N 15 120.868 0.00 . 1 . . . . . 0 GLU N . 51744 1
5 . 1 . 1 6 6 ASN H H 1 8.651 0.00 . 1 . . . . . 1 ASN HN . 51744 1
6 . 1 . 1 6 6 ASN N N 15 122.366 0.00 . 1 . . . . . 1 ASN N . 51744 1
7 . 1 . 1 8 8 TRP H H 1 7.615 0.00 . 1 . . . . . 3 TRP HN . 51744 1
8 . 1 . 1 8 8 TRP HE1 H 1 10.121 0.00 . 1 . . . . . 3 TRP HE1 . 51744 1
9 . 1 . 1 8 8 TRP N N 15 116.723 0.00 . 1 . . . . . 3 TRP N . 51744 1
10 . 1 . 1 8 8 TRP NE1 N 15 130.158 0.00 . 1 . . . . . 3 TRP NE1 . 51744 1
11 . 1 . 1 9 9 ALA H H 1 10.134 0.00 . 1 . . . . . 4 ALA HN . 51744 1
12 . 1 . 1 9 9 ALA N N 15 121.705 0.00 . 1 . . . . . 4 ALA N . 51744 1
13 . 1 . 1 10 10 THR H H 1 8.265 0.00 . 1 . . . . . 5 THR HN . 51744 1
14 . 1 . 1 10 10 THR N N 15 113.288 0.00 . 1 . . . . . 5 THR N . 51744 1
15 . 1 . 1 11 11 ALA H H 1 8.906 0.00 . 1 . . . . . 6 ALA HN . 51744 1
16 . 1 . 1 11 11 ALA N N 15 127.670 0.00 . 1 . . . . . 6 ALA N . 51744 1
17 . 1 . 1 12 12 GLU H H 1 9.382 0.00 . 1 . . . . . 7 GLU HN . 51744 1
18 . 1 . 1 12 12 GLU N N 15 125.550 0.00 . 1 . . . . . 7 GLU N . 51744 1
19 . 1 . 1 13 13 TYR H H 1 7.406 0.00 . 1 . . . . . 8 TYR HN . 51744 1
20 . 1 . 1 13 13 TYR N N 15 114.210 0.00 . 1 . . . . . 8 TYR N . 51744 1
21 . 1 . 1 14 14 ASP H H 1 8.475 0.00 . 1 . . . . . 9 ASP HN . 51744 1
22 . 1 . 1 14 14 ASP N N 15 118.817 0.00 . 1 . . . . . 9 ASP N . 51744 1
23 . 1 . 1 15 15 TYR H H 1 8.233 0.00 . 1 . . . . . 10 TYR HN . 51744 1
24 . 1 . 1 15 15 TYR N N 15 121.197 0.00 . 1 . . . . . 10 TYR N . 51744 1
25 . 1 . 1 16 16 ASP H H 1 7.174 0.00 . 1 . . . . . 11 ASP HN . 51744 1
26 . 1 . 1 16 16 ASP N N 15 126.407 0.00 . 1 . . . . . 11 ASP N . 51744 1
27 . 1 . 1 17 17 ALA H H 1 7.610 0.00 . 1 . . . . . 12 ALA HN . 51744 1
28 . 1 . 1 17 17 ALA N N 15 124.215 0.00 . 1 . . . . . 12 ALA N . 51744 1
29 . 1 . 1 18 18 ALA H H 1 9.069 0.00 . 1 . . . . . 13 ALA HN . 51744 1
30 . 1 . 1 18 18 ALA N N 15 126.248 0.00 . 1 . . . . . 13 ALA N . 51744 1
31 . 1 . 1 19 19 GLU H H 1 7.026 0.00 . 1 . . . . . 14 GLU HN . 51744 1
32 . 1 . 1 19 19 GLU N N 15 114.392 0.00 . 1 . . . . . 14 GLU N . 51744 1
33 . 1 . 1 20 20 ASP H H 1 8.985 0.00 . 1 . . . . . 15 ASP HN . 51744 1
34 . 1 . 1 20 20 ASP N N 15 120.017 0.00 . 1 . . . . . 15 ASP N . 51744 1
35 . 1 . 1 21 21 ASN H H 1 7.893 0.00 . 1 . . . . . 16 ASN HN . 51744 1
36 . 1 . 1 21 21 ASN HD21 H 1 6.960 0.00 . 2 . . . . . 16 ASN HD21 . 51744 1
37 . 1 . 1 21 21 ASN N N 15 114.598 0.00 . 1 . . . . . 16 ASN N . 51744 1
38 . 1 . 1 21 21 ASN ND2 N 15 109.641 0.00 . 1 . . . . . 16 ASN ND2 . 51744 1
39 . 1 . 1 22 22 GLU H H 1 7.534 0.00 . 1 . . . . . 17 GLU HN . 51744 1
40 . 1 . 1 22 22 GLU N N 15 118.898 0.00 . 1 . . . . . 17 GLU N . 51744 1
41 . 1 . 1 23 23 LEU H H 1 8.789 0.00 . 1 . . . . . 18 LEU HN . 51744 1
42 . 1 . 1 23 23 LEU N N 15 122.882 0.00 . 1 . . . . . 18 LEU N . 51744 1
43 . 1 . 1 24 24 THR H H 1 7.336 0.00 . 1 . . . . . 19 THR HN . 51744 1
44 . 1 . 1 24 24 THR N N 15 114.808 0.00 . 1 . . . . . 19 THR N . 51744 1
45 . 1 . 1 25 25 PHE H H 1 9.022 0.00 . 1 . . . . . 20 PHE HN . 51744 1
46 . 1 . 1 25 25 PHE N N 15 120.742 0.00 . 1 . . . . . 20 PHE N . 51744 1
47 . 1 . 1 26 26 VAL H H 1 9.216 0.00 . 1 . . . . . 21 VAL HN . 51744 1
48 . 1 . 1 26 26 VAL N N 15 116.940 0.00 . 1 . . . . . 21 VAL N . 51744 1
49 . 1 . 1 27 27 GLU H H 1 8.769 0.00 . 1 . . . . . 22 GLU HN . 51744 1
50 . 1 . 1 27 27 GLU N N 15 120.902 0.00 . 1 . . . . . 22 GLU N . 51744 1
51 . 1 . 1 28 28 ASN H H 1 8.915 0.00 . 1 . . . . . 23 ASN HN . 51744 1
52 . 1 . 1 28 28 ASN HD21 H 1 7.248 0.00 . 2 . . . . . 23 ASN HD21 . 51744 1
53 . 1 . 1 28 28 ASN N N 15 117.611 0.00 . 1 . . . . . 23 ASN N . 51744 1
54 . 1 . 1 28 28 ASN ND2 N 15 113.763 0.00 . 1 . . . . . 23 ASN ND2 . 51744 1
55 . 1 . 1 29 29 ASP H H 1 8.621 0.00 . 1 . . . . . 24 ASP HN . 51744 1
56 . 1 . 1 29 29 ASP N N 15 122.840 0.00 . 1 . . . . . 24 ASP N . 51744 1
57 . 1 . 1 30 30 LYS H H 1 8.154 0.00 . 1 . . . . . 25 LYS HN . 51744 1
58 . 1 . 1 30 30 LYS N N 15 120.305 0.00 . 1 . . . . . 25 LYS N . 51744 1
59 . 1 . 1 31 31 ILE H H 1 9.272 0.00 . 1 . . . . . 26 ILE HN . 51744 1
60 . 1 . 1 31 31 ILE N N 15 130.918 0.00 . 1 . . . . . 26 ILE N . 51744 1
61 . 1 . 1 32 32 ILE H H 1 9.827 0.00 . 1 . . . . . 27 ILE HN . 51744 1
62 . 1 . 1 32 32 ILE N N 15 119.311 0.00 . 1 . . . . . 27 ILE N . 51744 1
63 . 1 . 1 33 33 ASN H H 1 9.207 0.00 . 1 . . . . . 28 ASN HN . 51744 1
64 . 1 . 1 33 33 ASN HD21 H 1 7.278 0.00 . 2 . . . . . 28 ASN HD21 . 51744 1
65 . 1 . 1 33 33 ASN N N 15 115.949 0.00 . 1 . . . . . 28 ASN N . 51744 1
66 . 1 . 1 33 33 ASN ND2 N 15 115.528 0.00 . 1 . . . . . 28 ASN ND2 . 51744 1
67 . 1 . 1 34 34 ILE H H 1 7.877 0.00 . 1 . . . . . 29 ILE HN . 51744 1
68 . 1 . 1 34 34 ILE N N 15 116.599 0.00 . 1 . . . . . 29 ILE N . 51744 1
69 . 1 . 1 35 35 GLU H H 1 9.227 0.00 . 1 . . . . . 30 GLU HN . 51744 1
70 . 1 . 1 35 35 GLU N N 15 125.847 0.00 . 1 . . . . . 30 GLU N . 51744 1
71 . 1 . 1 36 36 PHE H H 1 8.511 0.00 . 1 . . . . . 31 PHE HN . 51744 1
72 . 1 . 1 36 36 PHE N N 15 126.498 0.00 . 1 . . . . . 31 PHE N . 51744 1
73 . 1 . 1 37 37 VAL H H 1 7.611 0.00 . 1 . . . . . 32 VAL HN . 51744 1
74 . 1 . 1 37 37 VAL N N 15 124.284 0.00 . 1 . . . . . 32 VAL N . 51744 1
75 . 1 . 1 38 38 ASP H H 1 8.624 0.00 . 1 . . . . . 33 ASP HN . 51744 1
76 . 1 . 1 38 38 ASP N N 15 118.914 0.00 . 1 . . . . . 33 ASP N . 51744 1
77 . 1 . 1 39 39 ASP H H 1 8.286 0.00 . 1 . . . . . 34 ASP HN . 51744 1
78 . 1 . 1 39 39 ASP N N 15 115.131 0.00 . 1 . . . . . 34 ASP N . 51744 1
79 . 1 . 1 40 40 ASP H H 1 8.769 0.00 . 1 . . . . . 35 ASP HN . 51744 1
80 . 1 . 1 40 40 ASP N N 15 117.763 0.00 . 1 . . . . . 35 ASP N . 51744 1
81 . 1 . 1 41 41 TRP H H 1 8.139 0.00 . 1 . . . . . 36 TRP HN . 51744 1
82 . 1 . 1 41 41 TRP HE1 H 1 9.973 0.00 . 1 . . . . . 36 TRP HE1 . 51744 1
83 . 1 . 1 41 41 TRP N N 15 123.297 0.00 . 1 . . . . . 36 TRP N . 51744 1
84 . 1 . 1 41 41 TRP NE1 N 15 128.435 0.00 . 1 . . . . . 36 TRP NE1 . 51744 1
85 . 1 . 1 42 42 TRP H H 1 8.258 0.00 . 1 . . . . . 37 TRP HN . 51744 1
86 . 1 . 1 42 42 TRP HE1 H 1 9.625 0.00 . 1 . . . . . 37 TRP HE1 . 51744 1
87 . 1 . 1 42 42 TRP N N 15 121.746 0.00 . 1 . . . . . 37 TRP N . 51744 1
88 . 1 . 1 42 42 TRP NE1 N 15 128.374 0.00 . 1 . . . . . 37 TRP NE1 . 51744 1
89 . 1 . 1 43 43 LEU H H 1 8.664 0.00 . 1 . . . . . 38 LEU HN . 51744 1
90 . 1 . 1 43 43 LEU N N 15 121.371 0.00 . 1 . . . . . 38 LEU N . 51744 1
91 . 1 . 1 44 44 GLY H H 1 8.750 0.00 . 1 . . . . . 39 GLY HN . 51744 1
92 . 1 . 1 44 44 GLY N N 15 109.259 0.00 . 1 . . . . . 39 GLY N . 51744 1
93 . 1 . 1 45 45 GLU H H 1 8.552 0.00 . 1 . . . . . 40 GLU HN . 51744 1
94 . 1 . 1 45 45 GLU N N 15 120.021 0.00 . 1 . . . . . 40 GLU N . 51744 1
95 . 1 . 1 46 46 LEU H H 1 9.522 0.00 . 1 . . . . . 41 LEU HN . 51744 1
96 . 1 . 1 46 46 LEU N N 15 126.425 0.00 . 1 . . . . . 41 LEU N . 51744 1
97 . 1 . 1 47 47 GLU H H 1 8.160 0.00 . 1 . . . . . 42 GLU HN . 51744 1
98 . 1 . 1 47 47 GLU N N 15 129.542 0.00 . 1 . . . . . 42 GLU N . 51744 1
99 . 1 . 1 48 48 LYS H H 1 9.256 0.00 . 1 . . . . . 43 LYS HN . 51744 1
100 . 1 . 1 48 48 LYS N N 15 113.808 0.00 . 1 . . . . . 43 LYS N . 51744 1
101 . 1 . 1 49 49 ASP H H 1 6.790 0.00 . 1 . . . . . 44 ASP HN . 51744 1
102 . 1 . 1 49 49 ASP N N 15 114.499 0.00 . 1 . . . . . 44 ASP N . 51744 1
103 . 1 . 1 50 50 GLY H H 1 8.392 0.00 . 1 . . . . . 45 GLY HN . 51744 1
104 . 1 . 1 50 50 GLY N N 15 109.914 0.00 . 1 . . . . . 45 GLY N . 51744 1
105 . 1 . 1 51 51 SER H H 1 8.677 0.00 . 1 . . . . . 46 SER HN . 51744 1
106 . 1 . 1 51 51 SER N N 15 118.504 0.00 . 1 . . . . . 46 SER N . 51744 1
107 . 1 . 1 52 52 LYS H H 1 8.379 0.00 . 1 . . . . . 47 LYS HN . 51744 1
108 . 1 . 1 52 52 LYS N N 15 119.707 0.00 . 1 . . . . . 47 LYS N . 51744 1
109 . 1 . 1 53 53 GLY H H 1 8.685 0.00 . 1 . . . . . 48 GLY HN . 51744 1
110 . 1 . 1 53 53 GLY N N 15 109.060 0.00 . 1 . . . . . 48 GLY N . 51744 1
111 . 1 . 1 54 54 LEU H H 1 8.805 0.00 . 1 . . . . . 49 LEU HN . 51744 1
112 . 1 . 1 54 54 LEU N N 15 120.726 0.00 . 1 . . . . . 49 LEU N . 51744 1
113 . 1 . 1 55 55 PHE H H 1 9.245 0.00 . 1 . . . . . 50 PHE HN . 51744 1
114 . 1 . 1 55 55 PHE N N 15 115.373 0.00 . 1 . . . . . 50 PHE N . 51744 1
115 . 1 . 1 57 57 SER H H 1 7.615 0.00 . 1 . . . . . 52 SER HN . 51744 1
116 . 1 . 1 57 57 SER N N 15 122.096 0.00 . 1 . . . . . 52 SER N . 51744 1
117 . 1 . 1 58 58 ASN H H 1 8.031 0.00 . 1 . . . . . 53 ASN HN . 51744 1
118 . 1 . 1 58 58 ASN HD21 H 1 6.953 0.00 . 2 . . . . . 53 ASN HD21 . 51744 1
119 . 1 . 1 58 58 ASN N N 15 115.548 0.00 . 1 . . . . . 53 ASN N . 51744 1
120 . 1 . 1 58 58 ASN ND2 N 15 111.293 0.00 . 1 . . . . . 53 ASN ND2 . 51744 1
121 . 1 . 1 59 59 TYR H H 1 7.811 0.00 . 1 . . . . . 54 TYR HN . 51744 1
122 . 1 . 1 59 59 TYR N N 15 119.268 0.00 . 1 . . . . . 54 TYR N . 51744 1
123 . 1 . 1 60 60 VAL H H 1 7.383 0.00 . 1 . . . . . 55 VAL HN . 51744 1
124 . 1 . 1 60 60 VAL N N 15 109.128 0.00 . 1 . . . . . 55 VAL N . 51744 1
125 . 1 . 1 61 61 SER H H 1 8.591 0.00 . 1 . . . . . 56 SER HN . 51744 1
126 . 1 . 1 61 61 SER N N 15 114.039 0.00 . 1 . . . . . 56 SER N . 51744 1
127 . 1 . 1 62 62 LEU H H 1 9.244 0.00 . 1 . . . . . 57 LEU HN . 51744 1
128 . 1 . 1 62 62 LEU N N 15 129.340 0.00 . 1 . . . . . 57 LEU N . 51744 1
129 . 1 . 1 63 63 GLY H H 1 8.409 0.00 . 1 . . . . . 58 GLY HN . 51744 1
130 . 1 . 1 63 63 GLY N N 15 110.620 0.00 . 1 . . . . . 58 GLY N . 51744 1
131 . 1 . 1 64 64 ASN H H 1 7.900 0.00 . 1 . . . . . 59 ASN HN . 51744 1
132 . 1 . 1 64 64 ASN HD21 H 1 7.223 0.00 . 2 . . . . . 59 ASN HD21 . 51744 1
133 . 1 . 1 64 64 ASN N N 15 117.959 0.00 . 1 . . . . . 59 ASN N . 51744 1
134 . 1 . 1 64 64 ASN ND2 N 15 112.304 0.00 . 1 . . . . . 59 ASN ND2 . 51744 1
135 . 1 . 1 65 65 LEU H H 1 8.148 0.00 . 1 . . . . . 60 LEU HN . 51744 1
136 . 1 . 1 65 65 LEU N N 15 122.601 0.00 . 1 . . . . . 60 LEU N . 51744 1
137 . 1 . 1 66 66 GLU H H 1 8.458 0.00 . 1 . . . . . 61 GLU HN . 51744 1
138 . 1 . 1 66 66 GLU N N 15 120.667 0.00 . 1 . . . . . 61 GLU N . 51744 1
stop_
save_