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 25186
_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' . . . 25186 1
3 '2D DQF-COSY' . . . 25186 1
4 '2D 1H-15N HSQC' . . . 25186 1
5 '2D 1H-13C HSQC' . . . 25186 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 3.960 0.004 . . . . . A 1 GLY HA2 . 25186 1
2 . 1 1 1 1 GLY HA3 H 1 4.048 0.003 . . . . . A 1 GLY HA3 . 25186 1
3 . 1 1 1 1 GLY CA C 13 43.461 0.024 . . . . . A 1 GLY CA . 25186 1
4 . 1 1 2 2 CYS H H 1 8.825 0.003 . . . . . A 2 CYS H . 25186 1
5 . 1 1 2 2 CYS HA H 1 4.973 0.002 . . . . . A 2 CYS HA . 25186 1
6 . 1 1 2 2 CYS HB2 H 1 3.677 0.004 . . . . . A 2 CYS HB2 . 25186 1
7 . 1 1 2 2 CYS HB3 H 1 2.995 0.006 . . . . . A 2 CYS HB3 . 25186 1
8 . 1 1 2 2 CYS CA C 13 55.539 0.000 . . . . . A 2 CYS CA . 25186 1
9 . 1 1 2 2 CYS CB C 13 38.472 0.027 . . . . . A 2 CYS CB . 25186 1
10 . 1 1 2 2 CYS N N 15 116.495 0.000 . . . . . A 2 CYS N . 25186 1
11 . 1 1 3 3 ABA CA C 13 60.485 0.000 . . . . . A 3 ABA CA . 25186 1
12 . 1 1 3 3 ABA CB C 13 30.681 0.006 . . . . . A 3 ABA CB . 25186 1
13 . 1 1 3 3 ABA CG C 13 130.131 0.000 . . . . . A 3 ABA CG . 25186 1
14 . 1 1 3 3 ABA H H 1 8.499 0.001 . . . . . A 3 ABA H . 25186 1
15 . 1 1 3 3 ABA HA H 1 3.933 0.003 . . . . . A 3 ABA HA . 25186 1
16 . 1 1 3 3 ABA HB2 H 1 2.767 0.003 . . . . . A 3 ABA HB2 . 25186 1
17 . 1 1 3 3 ABA HB3 H 1 2.482 0.004 . . . . . A 3 ABA HB3 . 25186 1
18 . 1 1 3 3 ABA HG1 H 1 5.747 0.003 . . . . . A 3 ABA HG1 . 25186 1
19 . 1 1 3 3 ABA HG2 H 1 5.747 0.003 . . . . . A 3 ABA HG2 . 25186 1
20 . 1 1 3 3 ABA HG3 H 1 5.747 0.003 . . . . . A 3 ABA HG3 . 25186 1
21 . 1 1 3 3 ABA N N 15 115.801 0.000 . . . . . A 3 ABA N . 25186 1
22 . 1 1 4 4 SER H H 1 8.228 0.002 . . . . . A 4 SER H . 25186 1
23 . 1 1 4 4 SER HA H 1 4.445 0.004 . . . . . A 4 SER HA . 25186 1
24 . 1 1 4 4 SER HB2 H 1 3.940 0.006 . . . . . A 4 SER HB2 . 25186 1
25 . 1 1 4 4 SER HB3 H 1 4.032 0.007 . . . . . A 4 SER HB3 . 25186 1
26 . 1 1 4 4 SER CA C 13 59.074 0.000 . . . . . A 4 SER CA . 25186 1
27 . 1 1 4 4 SER CB C 13 63.111 0.019 . . . . . A 4 SER CB . 25186 1
28 . 1 1 4 4 SER N N 15 112.878 0.000 . . . . . A 4 SER N . 25186 1
29 . 1 1 5 5 ASP H H 1 8.296 0.002 . . . . . A 5 ASP H . 25186 1
30 . 1 1 5 5 ASP HA H 1 5.091 0.002 . . . . . A 5 ASP HA . 25186 1
31 . 1 1 5 5 ASP HB2 H 1 3.188 0.003 . . . . . A 5 ASP HB2 . 25186 1
32 . 1 1 5 5 ASP HB3 H 1 2.674 0.003 . . . . . A 5 ASP HB3 . 25186 1
33 . 1 1 5 5 ASP CA C 13 50.787 0.000 . . . . . A 5 ASP CA . 25186 1
34 . 1 1 5 5 ASP CB C 13 42.222 0.019 . . . . . A 5 ASP CB . 25186 1
35 . 1 1 5 5 ASP N N 15 124.617 0.000 . . . . . A 5 ASP N . 25186 1
36 . 1 1 6 6 PRO HA H 1 4.357 0.003 . . . . . A 6 PRO HA . 25186 1
37 . 1 1 6 6 PRO HB2 H 1 2.411 0.004 . . . . . A 6 PRO HB2 . 25186 1
38 . 1 1 6 6 PRO HB3 H 1 1.976 0.004 . . . . . A 6 PRO HB3 . 25186 1
39 . 1 1 6 6 PRO HG2 H 1 2.056 0.009 . . . . . A 6 PRO HG2 . 25186 1
40 . 1 1 6 6 PRO HD2 H 1 3.975 0.004 . . . . . A 6 PRO HD2 . 25186 1
41 . 1 1 6 6 PRO CA C 13 64.675 0.000 . . . . . A 6 PRO CA . 25186 1
42 . 1 1 6 6 PRO CB C 13 32.325 0.001 . . . . . A 6 PRO CB . 25186 1
43 . 1 1 6 6 PRO CG C 13 27.376 0.000 . . . . . A 6 PRO CG . 25186 1
44 . 1 1 6 6 PRO CD C 13 51.230 0.000 . . . . . A 6 PRO CD . 25186 1
45 . 1 1 7 7 ARG H H 1 8.528 0.001 . . . . . A 7 ARG H . 25186 1
46 . 1 1 7 7 ARG HA H 1 4.254 0.004 . . . . . A 7 ARG HA . 25186 1
47 . 1 1 7 7 ARG HB2 H 1 1.962 0.005 . . . . . A 7 ARG HB2 . 25186 1
48 . 1 1 7 7 ARG HB3 H 1 1.766 0.004 . . . . . A 7 ARG HB3 . 25186 1
49 . 1 1 7 7 ARG HG2 H 1 1.637 0.004 . . . . . A 7 ARG HG2 . 25186 1
50 . 1 1 7 7 ARG HD2 H 1 3.187 0.002 . . . . . A 7 ARG HD2 . 25186 1
51 . 1 1 7 7 ARG HD3 H 1 3.216 0.002 . . . . . A 7 ARG HD3 . 25186 1
52 . 1 1 7 7 ARG HE H 1 7.465 0.001 . . . . . A 7 ARG HE . 25186 1
53 . 1 1 7 7 ARG CA C 13 56.622 0.000 . . . . . A 7 ARG CA . 25186 1
54 . 1 1 7 7 ARG CB C 13 29.731 0.002 . . . . . A 7 ARG CB . 25186 1
55 . 1 1 7 7 ARG CG C 13 27.242 0.000 . . . . . A 7 ARG CG . 25186 1
56 . 1 1 7 7 ARG CD C 13 43.264 0.001 . . . . . A 7 ARG CD . 25186 1
57 . 1 1 7 7 ARG N N 15 116.037 0.000 . . . . . A 7 ARG N . 25186 1
58 . 1 1 8 8 CYS H H 1 7.957 0.003 . . . . . A 8 CYS H . 25186 1
59 . 1 1 8 8 CYS HA H 1 4.363 0.003 . . . . . A 8 CYS HA . 25186 1
60 . 1 1 8 8 CYS HB2 H 1 3.596 0.004 . . . . . A 8 CYS HB2 . 25186 1
61 . 1 1 8 8 CYS HB3 H 1 2.917 0.006 . . . . . A 8 CYS HB3 . 25186 1
62 . 1 1 8 8 CYS CA C 13 55.565 0.000 . . . . . A 8 CYS CA . 25186 1
63 . 1 1 8 8 CYS CB C 13 40.575 0.015 . . . . . A 8 CYS CB . 25186 1
64 . 1 1 8 8 CYS N N 15 120.399 0.000 . . . . . A 8 CYS N . 25186 1
65 . 1 1 9 9 ARG H H 1 8.552 0.002 . . . . . A 9 ARG H . 25186 1
66 . 1 1 9 9 ARG HA H 1 4.075 0.003 . . . . . A 9 ARG HA . 25186 1
67 . 1 1 9 9 ARG HB2 H 1 1.718 0.006 . . . . . A 9 ARG HB2 . 25186 1
68 . 1 1 9 9 ARG HG2 H 1 1.475 0.006 . . . . . A 9 ARG HG2 . 25186 1
69 . 1 1 9 9 ARG HD2 H 1 3.141 0.004 . . . . . A 9 ARG HD2 . 25186 1
70 . 1 1 9 9 ARG HE H 1 7.140 0.001 . . . . . A 9 ARG HE . 25186 1
71 . 1 1 9 9 ARG CA C 13 57.743 0.000 . . . . . A 9 ARG CA . 25186 1
72 . 1 1 9 9 ARG CB C 13 29.921 0.000 . . . . . A 9 ARG CB . 25186 1
73 . 1 1 9 9 ARG CG C 13 26.992 0.000 . . . . . A 9 ARG CG . 25186 1
74 . 1 1 9 9 ARG CD C 13 43.120 0.000 . . . . . A 9 ARG CD . 25186 1
75 . 1 1 9 9 ARG N N 15 125.480 0.000 . . . . . A 9 ARG N . 25186 1
76 . 1 1 10 10 TYR H H 1 7.339 0.004 . . . . . A 10 TYR H . 25186 1
77 . 1 1 10 10 TYR HA H 1 4.771 0.003 . . . . . A 10 TYR HA . 25186 1
78 . 1 1 10 10 TYR HB2 H 1 2.946 0.003 . . . . . A 10 TYR HB2 . 25186 1
79 . 1 1 10 10 TYR HB3 H 1 3.023 0.004 . . . . . A 10 TYR HB3 . 25186 1
80 . 1 1 10 10 TYR HD1 H 1 7.035 0.006 . . . . . A 10 TYR HD1 . 25186 1
81 . 1 1 10 10 TYR HD2 H 1 7.035 0.006 . . . . . A 10 TYR HD2 . 25186 1
82 . 1 1 10 10 TYR HE1 H 1 6.844 0.003 . . . . . A 10 TYR HE1 . 25186 1
83 . 1 1 10 10 TYR HE2 H 1 6.844 0.003 . . . . . A 10 TYR HE2 . 25186 1
84 . 1 1 10 10 TYR CA C 13 55.783 0.000 . . . . . A 10 TYR CA . 25186 1
85 . 1 1 10 10 TYR CB C 13 39.367 0.004 . . . . . A 10 TYR CB . 25186 1
86 . 1 1 10 10 TYR CD1 C 13 133.583 0.000 . . . . . A 10 TYR CD1 . 25186 1
87 . 1 1 10 10 TYR CD2 C 13 133.583 0.000 . . . . . A 10 TYR CD2 . 25186 1
88 . 1 1 10 10 TYR CE1 C 13 118.074 0.000 . . . . . A 10 TYR CE1 . 25186 1
89 . 1 1 10 10 TYR CE2 C 13 118.074 0.000 . . . . . A 10 TYR CE2 . 25186 1
90 . 1 1 10 10 TYR N N 15 117.831 0.000 . . . . . A 10 TYR N . 25186 1
91 . 1 1 11 11 ARG H H 1 8.214 0.005 . . . . . A 11 ARG H . 25186 1
92 . 1 1 11 11 ARG HA H 1 4.376 0.003 . . . . . A 11 ARG HA . 25186 1
93 . 1 1 11 11 ARG HB2 H 1 1.833 0.006 . . . . . A 11 ARG HB2 . 25186 1
94 . 1 1 11 11 ARG HB3 H 1 1.742 0.006 . . . . . A 11 ARG HB3 . 25186 1
95 . 1 1 11 11 ARG HG2 H 1 1.602 0.004 . . . . . A 11 ARG HG2 . 25186 1
96 . 1 1 11 11 ARG HD2 H 1 3.190 0.002 . . . . . A 11 ARG HD2 . 25186 1
97 . 1 1 11 11 ARG HE H 1 7.161 0.001 . . . . . A 11 ARG HE . 25186 1
98 . 1 1 11 11 ARG CA C 13 54.956 0.000 . . . . . A 11 ARG CA . 25186 1
99 . 1 1 11 11 ARG CB C 13 31.236 0.005 . . . . . A 11 ARG CB . 25186 1
100 . 1 1 11 11 ARG CG C 13 27.036 0.000 . . . . . A 11 ARG CG . 25186 1
101 . 1 1 11 11 ARG CD C 13 43.166 0.000 . . . . . A 11 ARG CD . 25186 1
102 . 1 1 11 11 ARG N N 15 119.777 0.000 . . . . . A 11 ARG N . 25186 1
103 . 1 1 12 12 ABA CA C 13 55.538 0.000 . . . . . A 12 ABA CA . 25186 1
104 . 1 1 12 12 ABA CB C 13 32.440 0.007 . . . . . A 12 ABA CB . 25186 1
105 . 1 1 12 12 ABA CG C 13 129.999 0.000 . . . . . A 12 ABA CG . 25186 1
106 . 1 1 12 12 ABA H H 1 8.375 0.005 . . . . . A 12 ABA H . 25186 1
107 . 1 1 12 12 ABA HA H 1 4.625 0.003 . . . . . A 12 ABA HA . 25186 1
108 . 1 1 12 12 ABA HB2 H 1 2.651 0.002 . . . . . A 12 ABA HB2 . 25186 1
109 . 1 1 12 12 ABA HB3 H 1 2.618 0.004 . . . . . A 12 ABA HB3 . 25186 1
110 . 1 1 12 12 ABA HG1 H 1 5.519 0.004 . . . . . A 12 ABA HG1 . 25186 1
111 . 1 1 12 12 ABA HG2 H 1 5.519 0.004 . . . . . A 12 ABA HG2 . 25186 1
112 . 1 1 12 12 ABA HG3 H 1 5.519 0.004 . . . . . A 12 ABA HG3 . 25186 1
113 . 1 1 12 12 ABA N N 15 122.339 0.000 . . . . . A 12 ABA N . 25186 1
114 . 1 1 13 13 ARG H H 1 8.079 0.005 . . . . . A 13 ARG H . 25186 1
115 . 1 1 13 13 ARG HA H 1 4.248 0.004 . . . . . A 13 ARG HA . 25186 1
116 . 1 1 13 13 ARG HB2 H 1 1.880 0.006 . . . . . A 13 ARG HB2 . 25186 1
117 . 1 1 13 13 ARG HB3 H 1 1.760 0.004 . . . . . A 13 ARG HB3 . 25186 1
118 . 1 1 13 13 ARG HG2 H 1 1.616 0.005 . . . . . A 13 ARG HG2 . 25186 1
119 . 1 1 13 13 ARG HD2 H 1 3.207 0.005 . . . . . A 13 ARG HD2 . 25186 1
120 . 1 1 13 13 ARG HE H 1 7.205 0.001 . . . . . A 13 ARG HE . 25186 1
121 . 1 1 13 13 ARG CA C 13 56.099 0.000 . . . . . A 13 ARG CA . 25186 1
122 . 1 1 13 13 ARG CB C 13 31.102 0.000 . . . . . A 13 ARG CB . 25186 1
123 . 1 1 13 13 ARG CG C 13 27.171 0.000 . . . . . A 13 ARG CG . 25186 1
124 . 1 1 13 13 ARG CD C 13 43.171 0.000 . . . . . A 13 ARG CD . 25186 1
125 . 1 1 13 13 ARG N N 15 125.129 0.000 . . . . . A 13 ARG N . 25186 1
stop_
save_