Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 25174
_Assigned_chem_shift_list.ID 1
_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 $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
2 '2D 1H-1H TOCSY' . . . 25174 1
3 '2D 1H-15N HSQC' . . . 25174 1
4 '2D 1H-13C HSQC' . . . 25174 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.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 1 1 GLY HA2 H 1 3.931 0.006 . . . . . A 1 GLY HA2 . 25174 1
2 . 1 1 1 1 GLY HA3 H 1 3.962 0.004 . . . . . A 1 GLY HA3 . 25174 1
3 . 1 1 1 1 GLY CA C 13 43.363 0.000 . . . . . A 1 GLY CA . 25174 1
4 . 1 1 2 2 ABA CA C 13 56.334 0.000 . . . . . A 2 ABA CA . 25174 1
5 . 1 1 2 2 ABA CB C 13 31.669 0.032 . . . . . A 2 ABA CB . 25174 1
6 . 1 1 2 2 ABA CG C 13 129.248 0.000 . . . . . A 2 ABA CG . 25174 1
7 . 1 1 2 2 ABA H H 1 8.767 0.002 . . . . . A 2 ABA H . 25174 1
8 . 1 1 2 2 ABA HA H 1 4.667 0.003 . . . . . A 2 ABA HA . 25174 1
9 . 1 1 2 2 ABA HB2 H 1 2.602 0.004 . . . . . A 2 ABA HB2 . 25174 1
10 . 1 1 2 2 ABA HB3 H 1 2.728 0.005 . . . . . A 2 ABA HB3 . 25174 1
11 . 1 1 2 2 ABA HG1 H 1 5.634 0.003 . . . . . A 2 ABA HG1 . 25174 1
12 . 1 1 2 2 ABA HG2 H 1 5.634 0.003 . . . . . A 2 ABA HG2 . 25174 1
13 . 1 1 2 2 ABA HG3 H 1 5.634 0.003 . . . . . A 2 ABA HG3 . 25174 1
14 . 1 1 2 2 ABA N N 15 119.007 0.000 . . . . . A 2 ABA N . 25174 1
15 . 1 1 3 3 CYS H H 1 8.158 0.002 . . . . . A 3 CYS H . 25174 1
16 . 1 1 3 3 CYS HA H 1 4.452 0.003 . . . . . A 3 CYS HA . 25174 1
17 . 1 1 3 3 CYS HB2 H 1 3.380 0.003 . . . . . A 3 CYS HB2 . 25174 1
18 . 1 1 3 3 CYS HB3 H 1 2.986 0.002 . . . . . A 3 CYS HB3 . 25174 1
19 . 1 1 3 3 CYS CA C 13 56.965 0.000 . . . . . A 3 CYS CA . 25174 1
20 . 1 1 3 3 CYS CB C 13 41.372 0.043 . . . . . A 3 CYS CB . 25174 1
21 . 1 1 3 3 CYS N N 15 115.656 0.000 . . . . . A 3 CYS N . 25174 1
22 . 1 1 4 4 SER H H 1 8.554 0.004 . . . . . A 4 SER H . 25174 1
23 . 1 1 4 4 SER HA H 1 4.369 0.000 . . . . . A 4 SER HA . 25174 1
24 . 1 1 4 4 SER HB2 H 1 3.980 0.004 . . . . . A 4 SER HB2 . 25174 1
25 . 1 1 4 4 SER CA C 13 58.608 0.000 . . . . . A 4 SER CA . 25174 1
26 . 1 1 4 4 SER CB C 13 62.908 0.000 . . . . . A 4 SER CB . 25174 1
27 . 1 1 4 4 SER N N 15 114.552 0.000 . . . . . A 4 SER N . 25174 1
28 . 1 1 5 5 ASP H H 1 7.937 0.002 . . . . . A 5 ASP H . 25174 1
29 . 1 1 5 5 ASP HA H 1 5.096 0.002 . . . . . A 5 ASP HA . 25174 1
30 . 1 1 5 5 ASP HB2 H 1 3.083 0.007 . . . . . A 5 ASP HB2 . 25174 1
31 . 1 1 5 5 ASP HB3 H 1 2.788 0.009 . . . . . A 5 ASP HB3 . 25174 1
32 . 1 1 5 5 ASP CA C 13 50.787 0.000 . . . . . A 5 ASP CA . 25174 1
33 . 1 1 5 5 ASP CB C 13 40.748 0.001 . . . . . A 5 ASP CB . 25174 1
34 . 1 1 5 5 ASP N N 15 121.374 0.000 . . . . . A 5 ASP N . 25174 1
35 . 1 1 6 6 PRO HA H 1 4.320 0.007 . . . . . A 6 PRO HA . 25174 1
36 . 1 1 6 6 PRO HB2 H 1 2.398 0.002 . . . . . A 6 PRO HB2 . 25174 1
37 . 1 1 6 6 PRO HB3 H 1 1.964 0.007 . . . . . A 6 PRO HB3 . 25174 1
38 . 1 1 6 6 PRO HG2 H 1 2.035 0.010 . . . . . A 6 PRO HG2 . 25174 1
39 . 1 1 6 6 PRO HG3 H 1 2.064 0.005 . . . . . A 6 PRO HG3 . 25174 1
40 . 1 1 6 6 PRO HD2 H 1 3.921 0.005 . . . . . A 6 PRO HD2 . 25174 1
41 . 1 1 6 6 PRO CA C 13 64.894 0.000 . . . . . A 6 PRO CA . 25174 1
42 . 1 1 6 6 PRO CB C 13 32.316 0.006 . . . . . A 6 PRO CB . 25174 1
43 . 1 1 6 6 PRO CG C 13 27.454 0.000 . . . . . A 6 PRO CG . 25174 1
44 . 1 1 6 6 PRO CD C 13 51.163 0.000 . . . . . A 6 PRO CD . 25174 1
45 . 1 1 7 7 ARG H H 1 8.115 0.002 . . . . . A 7 ARG H . 25174 1
46 . 1 1 7 7 ARG HA H 1 4.217 0.002 . . . . . A 7 ARG HA . 25174 1
47 . 1 1 7 7 ARG HB2 H 1 1.891 0.003 . . . . . A 7 ARG HB2 . 25174 1
48 . 1 1 7 7 ARG HB3 H 1 1.779 0.005 . . . . . A 7 ARG HB3 . 25174 1
49 . 1 1 7 7 ARG HG2 H 1 1.644 0.002 . . . . . A 7 ARG HG2 . 25174 1
50 . 1 1 7 7 ARG HD2 H 1 3.214 0.002 . . . . . A 7 ARG HD2 . 25174 1
51 . 1 1 7 7 ARG HE H 1 7.418 0.002 . . . . . A 7 ARG HE . 25174 1
52 . 1 1 7 7 ARG CA C 13 56.607 0.052 . . . . . A 7 ARG CA . 25174 1
53 . 1 1 7 7 ARG CB C 13 30.225 0.000 . . . . . A 7 ARG CB . 25174 1
54 . 1 1 7 7 ARG CG C 13 27.295 0.000 . . . . . A 7 ARG CG . 25174 1
55 . 1 1 7 7 ARG N N 15 115.647 0.000 . . . . . A 7 ARG N . 25174 1
56 . 1 1 8 8 ABA CA C 13 56.058 0.056 . . . . . A 8 ABA CA . 25174 1
57 . 1 1 8 8 ABA CB C 13 32.389 0.000 . . . . . A 8 ABA CB . 25174 1
58 . 1 1 8 8 ABA CG C 13 131.485 0.000 . . . . . A 8 ABA CG . 25174 1
59 . 1 1 8 8 ABA H H 1 7.776 0.002 . . . . . A 8 ABA H . 25174 1
60 . 1 1 8 8 ABA HA H 1 4.275 0.005 . . . . . A 8 ABA HA . 25174 1
61 . 1 1 8 8 ABA HB2 H 1 2.593 0.008 . . . . . A 8 ABA HB2 . 25174 1
62 . 1 1 8 8 ABA HG1 H 1 5.626 0.003 . . . . . A 8 ABA HG1 . 25174 1
63 . 1 1 8 8 ABA HG2 H 1 5.626 0.003 . . . . . A 8 ABA HG2 . 25174 1
64 . 1 1 8 8 ABA HG3 H 1 5.626 0.003 . . . . . A 8 ABA HG3 . 25174 1
65 . 1 1 8 8 ABA N N 15 121.042 0.000 . . . . . A 8 ABA N . 25174 1
66 . 1 1 9 9 ARG H H 1 8.293 0.002 . . . . . A 9 ARG H . 25174 1
67 . 1 1 9 9 ARG HA H 1 4.127 0.004 . . . . . A 9 ARG HA . 25174 1
68 . 1 1 9 9 ARG HB2 H 1 1.718 0.003 . . . . . A 9 ARG HB2 . 25174 1
69 . 1 1 9 9 ARG HB3 H 1 1.671 0.002 . . . . . A 9 ARG HB3 . 25174 1
70 . 1 1 9 9 ARG HG2 H 1 1.479 0.004 . . . . . A 9 ARG HG2 . 25174 1
71 . 1 1 9 9 ARG HD2 H 1 3.112 0.002 . . . . . A 9 ARG HD2 . 25174 1
72 . 1 1 9 9 ARG HE H 1 7.083 0.002 . . . . . A 9 ARG HE . 25174 1
73 . 1 1 9 9 ARG CA C 13 57.118 0.004 . . . . . A 9 ARG CA . 25174 1
74 . 1 1 9 9 ARG CB C 13 29.696 0.014 . . . . . A 9 ARG CB . 25174 1
75 . 1 1 9 9 ARG CG C 13 26.892 0.000 . . . . . A 9 ARG CG . 25174 1
76 . 1 1 9 9 ARG N N 15 122.240 0.000 . . . . . A 9 ARG N . 25174 1
77 . 1 1 10 10 TYR H H 1 7.412 0.002 . . . . . A 10 TYR H . 25174 1
78 . 1 1 10 10 TYR HA H 1 4.623 0.003 . . . . . A 10 TYR HA . 25174 1
79 . 1 1 10 10 TYR HB2 H 1 3.112 0.005 . . . . . A 10 TYR HB2 . 25174 1
80 . 1 1 10 10 TYR HB3 H 1 2.928 0.007 . . . . . A 10 TYR HB3 . 25174 1
81 . 1 1 10 10 TYR HD1 H 1 7.125 0.003 . . . . . A 10 TYR HD1 . 25174 1
82 . 1 1 10 10 TYR HD2 H 1 7.125 0.003 . . . . . A 10 TYR HD2 . 25174 1
83 . 1 1 10 10 TYR HE1 H 1 6.870 0.003 . . . . . A 10 TYR HE1 . 25174 1
84 . 1 1 10 10 TYR HE2 H 1 6.870 0.003 . . . . . A 10 TYR HE2 . 25174 1
85 . 1 1 10 10 TYR CA C 13 56.261 0.000 . . . . . A 10 TYR CA . 25174 1
86 . 1 1 10 10 TYR CB C 13 38.916 0.032 . . . . . A 10 TYR CB . 25174 1
87 . 1 1 10 10 TYR CD1 C 13 133.463 0.000 . . . . . A 10 TYR CD1 . 25174 1
88 . 1 1 10 10 TYR CD2 C 13 133.463 0.000 . . . . . A 10 TYR CD2 . 25174 1
89 . 1 1 10 10 TYR CE1 C 13 118.203 0.000 . . . . . A 10 TYR CE1 . 25174 1
90 . 1 1 10 10 TYR CE2 C 13 118.203 0.000 . . . . . A 10 TYR CE2 . 25174 1
91 . 1 1 10 10 TYR N N 15 118.230 0.000 . . . . . A 10 TYR N . 25174 1
92 . 1 1 11 11 ARG H H 1 8.268 0.002 . . . . . A 11 ARG H . 25174 1
93 . 1 1 11 11 ARG HA H 1 4.264 0.002 . . . . . A 11 ARG HA . 25174 1
94 . 1 1 11 11 ARG HB2 H 1 1.778 0.004 . . . . . A 11 ARG HB2 . 25174 1
95 . 1 1 11 11 ARG HB3 H 1 1.811 0.002 . . . . . A 11 ARG HB3 . 25174 1
96 . 1 1 11 11 ARG HG2 H 1 1.559 0.003 . . . . . A 11 ARG HG2 . 25174 1
97 . 1 1 11 11 ARG HD2 H 1 3.181 0.002 . . . . . A 11 ARG HD2 . 25174 1
98 . 1 1 11 11 ARG HE H 1 7.160 0.002 . . . . . A 11 ARG HE . 25174 1
99 . 1 1 11 11 ARG CA C 13 56.149 0.000 . . . . . A 11 ARG CA . 25174 1
100 . 1 1 11 11 ARG CB C 13 30.598 0.000 . . . . . A 11 ARG CB . 25174 1
101 . 1 1 11 11 ARG CG C 13 27.128 0.000 . . . . . A 11 ARG CG . 25174 1
102 . 1 1 11 11 ARG N N 15 120.334 0.000 . . . . . A 11 ARG N . 25174 1
103 . 1 1 12 12 CYS H H 1 8.514 0.002 . . . . . A 12 CYS H . 25174 1
104 . 1 1 12 12 CYS HA H 1 4.613 0.002 . . . . . A 12 CYS HA . 25174 1
105 . 1 1 12 12 CYS HB2 H 1 3.196 0.004 . . . . . A 12 CYS HB2 . 25174 1
106 . 1 1 12 12 CYS HB3 H 1 3.109 0.005 . . . . . A 12 CYS HB3 . 25174 1
107 . 1 1 12 12 CYS CA C 13 56.492 0.000 . . . . . A 12 CYS CA . 25174 1
108 . 1 1 12 12 CYS CB C 13 43.258 0.015 . . . . . A 12 CYS CB . 25174 1
109 . 1 1 12 12 CYS N N 15 121.083 0.000 . . . . . A 12 CYS N . 25174 1
110 . 1 1 13 13 ARG H H 1 8.181 0.002 . . . . . A 13 ARG H . 25174 1
111 . 1 1 13 13 ARG HA H 1 4.271 0.000 . . . . . A 13 ARG HA . 25174 1
112 . 1 1 13 13 ARG HB2 H 1 1.895 0.003 . . . . . A 13 ARG HB2 . 25174 1
113 . 1 1 13 13 ARG HB3 H 1 1.767 0.003 . . . . . A 13 ARG HB3 . 25174 1
114 . 1 1 13 13 ARG HG2 H 1 1.623 0.007 . . . . . A 13 ARG HG2 . 25174 1
115 . 1 1 13 13 ARG HD2 H 1 3.198 0.002 . . . . . A 13 ARG HD2 . 25174 1
116 . 1 1 13 13 ARG HE H 1 7.182 0.002 . . . . . A 13 ARG HE . 25174 1
117 . 1 1 13 13 ARG CA C 13 57.404 1.232 . . . . . A 13 ARG CA . 25174 1
118 . 1 1 13 13 ARG CB C 13 30.970 0.009 . . . . . A 13 ARG CB . 25174 1
119 . 1 1 13 13 ARG CG C 13 27.242 0.000 . . . . . A 13 ARG CG . 25174 1
120 . 1 1 13 13 ARG N N 15 126.012 0.000 . . . . . A 13 ARG N . 25174 1
stop_
save_