Content for NMR-STAR saveframe, "SH3A_L_shift_list"
save_SH3A_L_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode SH3A_L_shift_list
_Assigned_chem_shift_list.Entry_ID 27819
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $all_samples_conditions
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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' . . . 27819 1
2 '3D HNCA' . . . 27819 1
3 '3D HN(CO)CA' . . . 27819 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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 6 6 VAL CA C 13 61.652 0.000 . 1 . . . . . 2 VAL CA . 27819 1
2 . 1 1 7 7 VAL H H 1 8.802 0.001 . 1 . . . . . 3 VAL H . 27819 1
3 . 1 1 7 7 VAL CA C 13 60.707 0.006 . 1 . . . . . 3 VAL CA . 27819 1
4 . 1 1 7 7 VAL N N 15 125.551 0.023 . 1 . . . . . 3 VAL N . 27819 1
5 . 1 1 8 8 TYR H H 1 8.884 0.001 . 1 . . . . . 4 TYR H . 27819 1
6 . 1 1 8 8 TYR CA C 13 57.426 0.010 . 1 . . . . . 4 TYR CA . 27819 1
7 . 1 1 8 8 TYR N N 15 123.018 0.017 . 1 . . . . . 4 TYR N . 27819 1
8 . 1 1 9 9 TYR H H 1 9.249 0.001 . 1 . . . . . 5 TYR H . 27819 1
9 . 1 1 9 9 TYR CA C 13 56.430 0.014 . 1 . . . . . 5 TYR CA . 27819 1
10 . 1 1 9 9 TYR N N 15 120.632 0.012 . 1 . . . . . 5 TYR N . 27819 1
11 . 1 1 10 10 ARG H H 1 9.469 0.001 . 1 . . . . . 6 ARG H . 27819 1
12 . 1 1 10 10 ARG CA C 13 53.468 0.021 . 1 . . . . . 6 ARG CA . 27819 1
13 . 1 1 10 10 ARG N N 15 121.789 0.022 . 1 . . . . . 6 ARG N . 27819 1
14 . 1 1 11 11 ALA H H 1 9.385 0.002 . 1 . . . . . 7 ALA H . 27819 1
15 . 1 1 11 11 ALA CA C 13 53.186 0.032 . 1 . . . . . 7 ALA CA . 27819 1
16 . 1 1 11 11 ALA N N 15 129.391 0.017 . 1 . . . . . 7 ALA N . 27819 1
17 . 1 1 12 12 LEU H H 1 9.676 0.001 . 1 . . . . . 8 LEU H . 27819 1
18 . 1 1 12 12 LEU CA C 13 55.084 0.035 . 1 . . . . . 8 LEU CA . 27819 1
19 . 1 1 12 12 LEU N N 15 123.622 0.011 . 1 . . . . . 8 LEU N . 27819 1
20 . 1 1 13 13 TYR H H 1 7.382 0.001 . 1 . . . . . 9 TYR H . 27819 1
21 . 1 1 13 13 TYR CA C 13 54.253 0.000 . 1 . . . . . 9 TYR CA . 27819 1
22 . 1 1 13 13 TYR N N 15 116.183 0.023 . 1 . . . . . 9 TYR N . 27819 1
23 . 1 1 14 14 PRO CA C 13 62.093 0.002 . 1 . . . . . 10 PRO CA . 27819 1
24 . 1 1 15 15 PHE H H 1 8.786 0.001 . 1 . . . . . 11 PHE H . 27819 1
25 . 1 1 15 15 PHE CA C 13 57.934 0.008 . 1 . . . . . 11 PHE CA . 27819 1
26 . 1 1 15 15 PHE N N 15 121.835 0.025 . 1 . . . . . 11 PHE N . 27819 1
27 . 1 1 16 16 GLU H H 1 7.589 0.001 . 1 . . . . . 12 GLU H . 27819 1
28 . 1 1 16 16 GLU CA C 13 54.254 0.020 . 1 . . . . . 12 GLU CA . 27819 1
29 . 1 1 16 16 GLU N N 15 127.187 0.021 . 1 . . . . . 12 GLU N . 27819 1
30 . 1 1 17 17 SER H H 1 8.174 0.004 . 1 . . . . . 13 SER H . 27819 1
31 . 1 1 17 17 SER CA C 13 59.078 0.031 . 1 . . . . . 13 SER CA . 27819 1
32 . 1 1 17 17 SER N N 15 117.443 0.020 . 1 . . . . . 13 SER N . 27819 1
33 . 1 1 18 18 ARG H H 1 8.843 0.003 . 1 . . . . . 14 ARG H . 27819 1
34 . 1 1 18 18 ARG CA C 13 55.623 0.018 . 1 . . . . . 14 ARG CA . 27819 1
35 . 1 1 18 18 ARG N N 15 124.369 0.074 . 1 . . . . . 14 ARG N . 27819 1
36 . 1 1 19 19 SER H H 1 7.793 0.002 . 1 . . . . . 15 SER H . 27819 1
37 . 1 1 19 19 SER CA C 13 56.847 0.000 . 1 . . . . . 15 SER CA . 27819 1
38 . 1 1 19 19 SER N N 15 111.790 0.013 . 1 . . . . . 15 SER N . 27819 1
39 . 1 1 20 20 HIS CA C 13 58.873 0.038 . 1 . . . . . 16 HIS CA . 27819 1
40 . 1 1 21 21 ASP H H 1 7.815 0.002 . 1 . . . . . 17 ASP H . 27819 1
41 . 1 1 21 21 ASP CA C 13 52.765 0.011 . 1 . . . . . 17 ASP CA . 27819 1
42 . 1 1 21 21 ASP N N 15 116.286 0.022 . 1 . . . . . 17 ASP N . 27819 1
43 . 1 1 22 22 GLU H H 1 7.672 0.002 . 1 . . . . . 18 GLU H . 27819 1
44 . 1 1 22 22 GLU CA C 13 54.773 0.014 . 1 . . . . . 18 GLU CA . 27819 1
45 . 1 1 22 22 GLU N N 15 118.822 0.013 . 1 . . . . . 18 GLU N . 27819 1
46 . 1 1 23 23 ILE H H 1 8.475 0.003 . 1 . . . . . 19 ILE H . 27819 1
47 . 1 1 23 23 ILE CA C 13 59.793 0.001 . 1 . . . . . 19 ILE CA . 27819 1
48 . 1 1 23 23 ILE N N 15 116.443 0.021 . 1 . . . . . 19 ILE N . 27819 1
49 . 1 1 24 24 THR H H 1 7.924 0.001 . 1 . . . . . 20 THR H . 27819 1
50 . 1 1 24 24 THR CA C 13 61.881 0.014 . 1 . . . . . 20 THR CA . 27819 1
51 . 1 1 24 24 THR N N 15 118.252 0.011 . 1 . . . . . 20 THR N . 27819 1
52 . 1 1 25 25 ILE H H 1 9.189 0.001 . 1 . . . . . 21 ILE H . 27819 1
53 . 1 1 25 25 ILE CA C 13 59.346 0.005 . 1 . . . . . 21 ILE CA . 27819 1
54 . 1 1 25 25 ILE N N 15 119.548 0.011 . 1 . . . . . 21 ILE N . 27819 1
55 . 1 1 26 26 GLN H H 1 9.302 0.001 . 1 . . . . . 22 GLN H . 27819 1
56 . 1 1 26 26 GLN CA C 13 52.103 0.000 . 1 . . . . . 22 GLN CA . 27819 1
57 . 1 1 26 26 GLN N N 15 122.602 0.004 . 1 . . . . . 22 GLN N . 27819 1
58 . 1 1 27 27 PRO CA C 13 64.039 0.012 . 1 . . . . . 23 PRO CA . 27819 1
59 . 1 1 28 28 GLY H H 1 8.882 0.001 . 1 . . . . . 24 GLY H . 27819 1
60 . 1 1 28 28 GLY CA C 13 44.909 0.034 . 1 . . . . . 24 GLY CA . 27819 1
61 . 1 1 28 28 GLY N N 15 113.548 0.018 . 1 . . . . . 24 GLY N . 27819 1
62 . 1 1 29 29 ASP H H 1 8.385 0.003 . 1 . . . . . 25 ASP H . 27819 1
63 . 1 1 29 29 ASP CA C 13 56.081 0.022 . 1 . . . . . 25 ASP CA . 27819 1
64 . 1 1 29 29 ASP N N 15 122.080 0.034 . 1 . . . . . 25 ASP N . 27819 1
65 . 1 1 30 30 ILE H H 1 8.264 0.002 . 1 . . . . . 26 ILE H . 27819 1
66 . 1 1 30 30 ILE CA C 13 59.107 0.027 . 1 . . . . . 26 ILE CA . 27819 1
67 . 1 1 30 30 ILE N N 15 121.082 0.053 . 1 . . . . . 26 ILE N . 27819 1
68 . 1 1 31 31 VAL H H 1 9.557 0.002 . 1 . . . . . 27 VAL H . 27819 1
69 . 1 1 31 31 VAL CA C 13 61.475 0.027 . 1 . . . . . 27 VAL CA . 27819 1
70 . 1 1 31 31 VAL N N 15 129.016 0.010 . 1 . . . . . 27 VAL N . 27819 1
71 . 1 1 32 32 MET H H 1 8.302 0.002 . 1 . . . . . 28 MET H . 27819 1
72 . 1 1 32 32 MET CA C 13 55.794 0.011 . 1 . . . . . 28 MET CA . 27819 1
73 . 1 1 32 32 MET N N 15 126.436 0.049 . 1 . . . . . 28 MET N . 27819 1
74 . 1 1 33 33 VAL H H 1 9.274 0.001 . 1 . . . . . 29 VAL H . 27819 1
75 . 1 1 33 33 VAL CA C 13 62.343 0.017 . 1 . . . . . 29 VAL CA . 27819 1
76 . 1 1 33 33 VAL N N 15 129.168 0.015 . 1 . . . . . 29 VAL N . 27819 1
77 . 1 1 34 34 LYS H H 1 8.489 0.003 . 1 . . . . . 30 LYS H . 27819 1
78 . 1 1 34 34 LYS CA C 13 55.681 0.003 . 1 . . . . . 30 LYS CA . 27819 1
79 . 1 1 34 34 LYS N N 15 127.061 0.076 . 1 . . . . . 30 LYS N . 27819 1
80 . 1 1 35 35 GLY H H 1 8.479 0.001 . 1 . . . . . 31 GLY H . 27819 1
81 . 1 1 35 35 GLY CA C 13 45.914 0.014 . 1 . . . . . 31 GLY CA . 27819 1
82 . 1 1 35 35 GLY N N 15 110.425 0.004 . 1 . . . . . 31 GLY N . 27819 1
83 . 1 1 36 36 GLU H H 1 8.638 0.001 . 1 . . . . . 32 GLU H . 27819 1
84 . 1 1 36 36 GLU CA C 13 56.983 0.000 . 1 . . . . . 32 GLU CA . 27819 1
85 . 1 1 36 36 GLU N N 15 120.097 0.035 . 1 . . . . . 32 GLU N . 27819 1
86 . 1 1 37 37 TRP CA C 13 57.463 0.004 . 1 . . . . . 33 TRP CA . 27819 1
87 . 1 1 38 38 VAL H H 1 7.811 0.001 . 1 . . . . . 34 VAL H . 27819 1
88 . 1 1 38 38 VAL CA C 13 62.559 0.041 . 1 . . . . . 34 VAL CA . 27819 1
89 . 1 1 38 38 VAL N N 15 120.824 0.017 . 1 . . . . . 34 VAL N . 27819 1
90 . 1 1 39 39 ASP H H 1 8.263 0.002 . 1 . . . . . 35 ASP H . 27819 1
91 . 1 1 39 39 ASP CA C 13 54.244 0.002 . 1 . . . . . 35 ASP CA . 27819 1
92 . 1 1 39 39 ASP N N 15 123.724 0.028 . 1 . . . . . 35 ASP N . 27819 1
93 . 1 1 40 40 GLU H H 1 8.601 0.001 . 1 . . . . . 36 GLU H . 27819 1
94 . 1 1 40 40 GLU CA C 13 57.493 0.035 . 1 . . . . . 36 GLU CA . 27819 1
95 . 1 1 40 40 GLU N N 15 122.841 0.021 . 1 . . . . . 36 GLU N . 27819 1
96 . 1 1 41 41 SER H H 1 8.443 0.003 . 1 . . . . . 37 SER H . 27819 1
97 . 1 1 41 41 SER CA C 13 59.492 0.000 . 1 . . . . . 37 SER CA . 27819 1
98 . 1 1 41 41 SER N N 15 115.877 0.046 . 1 . . . . . 37 SER N . 27819 1
99 . 1 1 42 42 GLN CA C 13 56.089 0.009 . 1 . . . . . 38 GLN CA . 27819 1
100 . 1 1 43 43 THR H H 1 8.130 0.001 . 1 . . . . . 39 THR H . 27819 1
101 . 1 1 43 43 THR CA C 13 62.100 0.008 . 1 . . . . . 39 THR CA . 27819 1
102 . 1 1 43 43 THR N N 15 113.223 0.010 . 1 . . . . . 39 THR N . 27819 1
103 . 1 1 44 44 GLY H H 1 8.308 0.001 . 1 . . . . . 40 GLY H . 27819 1
104 . 1 1 44 44 GLY CA C 13 45.023 0.000 . 1 . . . . . 40 GLY CA . 27819 1
105 . 1 1 44 44 GLY N N 15 111.295 0.015 . 1 . . . . . 40 GLY N . 27819 1
106 . 1 1 46 46 PRO CA C 13 63.382 0.004 . 1 . . . . . 42 PRO CA . 27819 1
107 . 1 1 47 47 GLY H H 1 8.476 0.001 . 1 . . . . . 43 GLY H . 27819 1
108 . 1 1 47 47 GLY CA C 13 45.816 0.000 . 1 . . . . . 43 GLY CA . 27819 1
109 . 1 1 47 47 GLY N N 15 108.432 0.010 . 1 . . . . . 43 GLY N . 27819 1
110 . 1 1 49 49 LEU CA C 13 52.814 0.009 . 1 . . . . . 45 LEU CA . 27819 1
111 . 1 1 50 50 GLY H H 1 7.758 0.001 . 1 . . . . . 46 GLY H . 27819 1
112 . 1 1 50 50 GLY CA C 13 44.501 0.035 . 1 . . . . . 46 GLY CA . 27819 1
113 . 1 1 50 50 GLY N N 15 108.341 0.032 . 1 . . . . . 46 GLY N . 27819 1
114 . 1 1 51 51 GLY H H 1 8.902 0.004 . 1 . . . . . 47 GLY H . 27819 1
115 . 1 1 51 51 GLY CA C 13 45.122 0.027 . 1 . . . . . 47 GLY CA . 27819 1
116 . 1 1 51 51 GLY N N 15 110.779 0.028 . 1 . . . . . 47 GLY N . 27819 1
117 . 1 1 52 52 GLU H H 1 8.706 0.002 . 1 . . . . . 48 GLU H . 27819 1
118 . 1 1 52 52 GLU CA C 13 54.631 0.000 . 1 . . . . . 48 GLU CA . 27819 1
119 . 1 1 52 52 GLU N N 15 119.062 0.018 . 1 . . . . . 48 GLU N . 27819 1
120 . 1 1 53 53 LEU H H 1 9.065 0.000 . 1 . . . . . 49 LEU H . 27819 1
121 . 1 1 53 53 LEU CA C 13 54.825 0.039 . 1 . . . . . 49 LEU CA . 27819 1
122 . 1 1 53 53 LEU N N 15 127.800 0.015 . 1 . . . . . 49 LEU N . 27819 1
123 . 1 1 54 54 LYS H H 1 9.828 0.001 . 1 . . . . . 50 LYS H . 27819 1
124 . 1 1 54 54 LYS CA C 13 57.526 0.012 . 1 . . . . . 50 LYS CA . 27819 1
125 . 1 1 54 54 LYS N N 15 128.084 0.014 . 1 . . . . . 50 LYS N . 27819 1
126 . 1 1 55 55 GLY H H 1 8.890 0.001 . 1 . . . . . 51 GLY H . 27819 1
127 . 1 1 55 55 GLY CA C 13 45.518 0.009 . 1 . . . . . 51 GLY CA . 27819 1
128 . 1 1 55 55 GLY N N 15 104.636 0.007 . 1 . . . . . 51 GLY N . 27819 1
129 . 1 1 56 56 LYS H H 1 7.917 0.001 . 1 . . . . . 52 LYS H . 27819 1
130 . 1 1 56 56 LYS CA C 13 54.806 0.014 . 1 . . . . . 52 LYS CA . 27819 1
131 . 1 1 56 56 LYS N N 15 122.235 0.012 . 1 . . . . . 52 LYS N . 27819 1
132 . 1 1 57 57 THR H H 1 8.298 0.001 . 1 . . . . . 53 THR H . 27819 1
133 . 1 1 57 57 THR CA C 13 59.866 0.009 . 1 . . . . . 53 THR CA . 27819 1
134 . 1 1 57 57 THR N N 15 116.027 0.007 . 1 . . . . . 53 THR N . 27819 1
135 . 1 1 58 58 GLY H H 1 8.696 0.001 . 1 . . . . . 54 GLY H . 27819 1
136 . 1 1 58 58 GLY CA C 13 45.261 0.044 . 1 . . . . . 54 GLY CA . 27819 1
137 . 1 1 58 58 GLY N N 15 111.744 0.013 . 1 . . . . . 54 GLY N . 27819 1
138 . 1 1 59 59 TRP H H 1 9.324 0.002 . 1 . . . . . 55 TRP H . 27819 1
139 . 1 1 59 59 TRP CA C 13 56.991 0.021 . 1 . . . . . 55 TRP CA . 27819 1
140 . 1 1 59 59 TRP N N 15 120.430 0.060 . 1 . . . . . 55 TRP N . 27819 1
141 . 1 1 60 60 PHE H H 1 9.613 0.001 . 1 . . . . . 56 PHE H . 27819 1
142 . 1 1 60 60 PHE CA C 13 54.712 0.000 . 1 . . . . . 56 PHE CA . 27819 1
143 . 1 1 60 60 PHE N N 15 118.413 0.034 . 1 . . . . . 56 PHE N . 27819 1
144 . 1 1 62 62 ALA CA C 13 54.706 0.016 . 1 . . . . . 58 ALA CA . 27819 1
145 . 1 1 63 63 ASN H H 1 8.377 0.002 . 1 . . . . . 59 ASN H . 27819 1
146 . 1 1 63 63 ASN CA C 13 53.332 0.017 . 1 . . . . . 59 ASN CA . 27819 1
147 . 1 1 63 63 ASN N N 15 109.045 0.029 . 1 . . . . . 59 ASN N . 27819 1
148 . 1 1 64 64 TYR H H 1 7.909 0.001 . 1 . . . . . 60 TYR H . 27819 1
149 . 1 1 64 64 TYR CA C 13 57.519 0.017 . 1 . . . . . 60 TYR CA . 27819 1
150 . 1 1 64 64 TYR N N 15 120.974 0.040 . 1 . . . . . 60 TYR N . 27819 1
151 . 1 1 65 65 ALA H H 1 8.040 0.001 . 1 . . . . . 61 ALA H . 27819 1
152 . 1 1 65 65 ALA CA C 13 50.943 0.011 . 1 . . . . . 61 ALA CA . 27819 1
153 . 1 1 65 65 ALA N N 15 122.801 0.031 . 1 . . . . . 61 ALA N . 27819 1
154 . 1 1 66 66 GLU H H 1 8.765 0.001 . 1 . . . . . 62 GLU H . 27819 1
155 . 1 1 66 66 GLU CA C 13 53.495 0.008 . 1 . . . . . 62 GLU CA . 27819 1
156 . 1 1 66 66 GLU N N 15 116.576 0.006 . 1 . . . . . 62 GLU N . 27819 1
157 . 1 1 67 67 LYS H H 1 8.784 0.001 . 1 . . . . . 63 LYS H . 27819 1
158 . 1 1 67 67 LYS CA C 13 57.054 0.033 . 1 . . . . . 63 LYS CA . 27819 1
159 . 1 1 67 67 LYS N N 15 127.169 0.029 . 1 . . . . . 63 LYS N . 27819 1
160 . 1 1 68 68 ILE H H 1 8.624 0.003 . 1 . . . . . 64 ILE H . 27819 1
161 . 1 1 68 68 ILE CA C 13 58.974 0.000 . 1 . . . . . 64 ILE CA . 27819 1
162 . 1 1 68 68 ILE N N 15 127.882 0.020 . 1 . . . . . 64 ILE N . 27819 1
stop_
save_