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 27960
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 0.30
_Assigned_chem_shift_list.Chem_shift_15N_err 0.10
_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' . . . 27960 1
2 '2D 1H-13C HSQC aliphatic' . . . 27960 1
3 '3D HNCO' . . . 27960 1
4 '3D HNCA' . . . 27960 1
5 '3D HNCACB' . . . 27960 1
6 '3D HN(CO)CA' . . . 27960 1
7 '3D CBCA(CO)NH' . . . 27960 1
8 '3D 1H-15N TOCSY' . . . 27960 1
9 '3D CCH-TOCSY' . . . 27960 1
10 '3D HNHA' . . . 27960 1
11 '3D 1H-15N NOESY' . . . 27960 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 1 1 SUC H H 1 9.84 0.01 . 1 . . . . . 1 SUC H . 27960 1
2 . 1 . 1 1 1 SUC HA1 H 1 2.60 0.05 . 2 . . . . . 1 SUC HA . 27960 1
3 . 1 . 1 1 1 SUC HA2 H 1 2.60 0.05 . 2 . . . . . 1 SUC HA . 27960 1
4 . 1 . 1 1 1 SUC HB1 H 1 2.68 0.05 . 2 . . . . . 1 SUC HB . 27960 1
5 . 1 . 1 1 1 SUC HB2 H 1 2.68 0.05 . 2 . . . . . 1 SUC HB . 27960 1
6 . 1 . 1 1 1 SUC C C 13 180.66 0.10 . 1 . . . . . 1 SUC C . 27960 1
7 . 1 . 1 1 1 SUC CA C 13 35.66 0.30 . 1 . . . . . 1 SUC CA . 27960 1
8 . 1 . 1 1 1 SUC CB C 13 34.86 0.30 . 1 . . . . . 1 SUC CB . 27960 1
9 . 1 . 1 1 1 SUC N N 15 120.59 0.10 . 1 . . . . . 1 SUC N . 27960 1
10 . 1 . 1 2 2 CHR H H 1 8.70 0.01 . 1 . . . . . 2 CHR H . 27960 1
11 . 1 . 1 2 2 CHR H121 H 1 2.44 0.05 . 2 . . . . . 2 CHR H121 . 27960 1
12 . 1 . 1 2 2 CHR H122 H 1 2.67 0.05 . 2 . . . . . 2 CHR H122 . 27960 1
13 . 1 . 1 2 2 CHR H131 H 1 3.37 0.05 . 2 . . . . . 2 CHR H131 . 27960 1
14 . 1 . 1 2 2 CHR H132 H 1 3.68 0.05 . 2 . . . . . 2 CHR H132 . 27960 1
15 . 1 . 1 2 2 CHR H11 H 1 5.76 0.01 . 1 . . . . . 2 CHR H11 . 27960 1
16 . 1 . 1 2 2 CHR C13 C 13 37.76 0.30 . 1 . . . . . 2 CHR C13 . 27960 1
17 . 1 . 1 2 2 CHR C12 C 13 24.70 0.30 . 1 . . . . . 2 CHR C12 . 27960 1
18 . 1 . 1 2 2 CHR C11 C 13 59.40 0.30 . 1 . . . . . 2 CHR C11 . 27960 1
19 . 1 . 1 2 2 CHR N N 15 92.43 0.10 . 1 . . . . . 2 CHR N . 27960 1
20 . 1 . 1 3 3 DSN H H 1 9.96 0.01 . 1 . . . . . 3 SER H . 27960 1
21 . 1 . 1 3 3 DSN HA H 1 4.34 0.05 . 1 . . . . . 3 SER HA . 27960 1
22 . 1 . 1 3 3 DSN HB2 H 1 3.64 0.05 . 2 . . . . . 3 SER HB2 . 27960 1
23 . 1 . 1 3 3 DSN HB3 H 1 3.68 0.05 . 2 . . . . . 3 SER HB3 . 27960 1
24 . 1 . 1 3 3 DSN C C 13 176.15 0.10 . 1 . . . . . 3 SER C . 27960 1
25 . 1 . 1 3 3 DSN CA C 13 60.96 0.30 . 1 . . . . . 3 SER CA . 27960 1
26 . 1 . 1 3 3 DSN CB C 13 63.66 0.30 . 1 . . . . . 3 SER CB . 27960 1
27 . 1 . 1 3 3 DSN N N 15 118.97 0.08 . 1 . . . . . 3 SER N . 27960 1
28 . 1 . 1 4 4 ARG H H 1 8.67 0.01 . 1 . . . . . 4 ARG H . 27960 1
29 . 1 . 1 4 4 ARG HA H 1 4.50 0.05 . 1 . . . . . 4 ARG HA . 27960 1
30 . 1 . 1 4 4 ARG HB2 H 1 1.94 0.05 . 2 . . . . . 4 ARG HB2 . 27960 1
31 . 1 . 1 4 4 ARG HB3 H 1 1.94 0.05 . 2 . . . . . 4 ARG HB3 . 27960 1
32 . 1 . 1 4 4 ARG HG2 H 1 0.93 0.05 . 2 . . . . . 4 ARG HG2 . 27960 1
33 . 1 . 1 4 4 ARG HG3 H 1 1.18 0.05 . 2 . . . . . 4 ARG HG3 . 27960 1
34 . 1 . 1 4 4 ARG HD2 H 1 2.29 0.05 . 2 . . . . . 4 ARG HD2 . 27960 1
35 . 1 . 1 4 4 ARG HD3 H 1 2.77 0.05 . 2 . . . . . 4 ARG HD3 . 27960 1
36 . 1 . 1 4 4 ARG HE H 1 6.62 0.05 . 1 . . . . . 4 ARG HE . 27960 1
37 . 1 . 1 4 4 ARG C C 13 176.40 0.10 . 1 . . . . . 4 ARG C . 27960 1
38 . 1 . 1 4 4 ARG CA C 13 56.06 0.30 . 1 . . . . . 4 ARG CA . 27960 1
39 . 1 . 1 4 4 ARG CB C 13 30.36 0.30 . 1 . . . . . 4 ARG CB . 27960 1
40 . 1 . 1 4 4 ARG CG C 13 27.23 0.30 . 1 . . . . . 4 ARG CG . 27960 1
41 . 1 . 1 4 4 ARG CD C 13 43.40 0.30 . 1 . . . . . 4 ARG CD . 27960 1
42 . 1 . 1 4 4 ARG N N 15 121.30 0.10 . 1 . . . . . 4 ARG N . 27960 1
43 . 1 . 1 4 4 ARG NE N 15 84.79 0.10 . 1 . . . . . 4 ARG NE . 27960 1
44 . 1 . 1 5 5 DSN H H 1 8.46 0.01 . 1 . . . . . 5 SER H . 27960 1
45 . 1 . 1 5 5 DSN HA H 1 4.29 0.05 . 1 . . . . . 5 SER HA . 27960 1
46 . 1 . 1 5 5 DSN HB2 H 1 3.75 0.05 . 2 . . . . . 5 SER HB2 . 27960 1
47 . 1 . 1 5 5 DSN HB3 H 1 3.82 0.05 . 2 . . . . . 5 SER HB3 . 27960 1
48 . 1 . 1 5 5 DSN C C 13 174.93 0.10 . 1 . . . . . 5 SER C . 27960 1
49 . 1 . 1 5 5 DSN CA C 13 61.01 0.30 . 1 . . . . . 5 SER CA . 27960 1
50 . 1 . 1 5 5 DSN CB C 13 63.62 0.30 . 1 . . . . . 5 SER CB . 27960 1
51 . 1 . 1 5 5 DSN N N 15 116.25 0.10 . 1 . . . . . 5 SER N . 27960 1
52 . 1 . 1 6 6 FOH H H 1 8.41 0.01 . 1 . . . . . 6 FOH H . 27960 1
53 . 1 . 1 6 6 FOH HA H 1 4.50 0.05 . 1 . . . . . 6 FOH HA . 27960 1
54 . 1 . 1 6 6 FOH HB2 H 1 1.73 0.05 . 2 . . . . . 6 FOH HB2 . 27960 1
55 . 1 . 1 6 6 FOH HB3 H 1 1.81 0.05 . 2 . . . . . 6 FOH HB3 . 27960 1
56 . 1 . 1 6 6 FOH HG2 H 1 1.54 0.05 . 2 . . . . . 6 FOH HG2 . 27960 1
57 . 1 . 1 6 6 FOH HG3 H 1 1.77 0.05 . 2 . . . . . 6 FOH HG3 . 27960 1
58 . 1 . 1 6 6 FOH HD2 H 1 3.60 0.05 . 2 . . . . . 6 FOH HD2 . 27960 1
59 . 1 . 1 6 6 FOH HD3 H 1 3.60 0.05 . 2 . . . . . 6 FOH HD3 . 27960 1
60 . 1 . 1 6 6 FOH C C 13 175.99 0.10 . 1 . . . . . 6 FOH C . 27960 1
61 . 1 . 1 6 6 FOH CA C 13 56.17 0.30 . 1 . . . . . 6 FOH CA . 27960 1
62 . 1 . 1 6 6 FOH CB C 13 30.59 0.30 . 1 . . . . . 6 FOH CB . 27960 1
63 . 1 . 1 6 6 FOH CG C 13 25.27 0.30 . 1 . . . . . 6 FOH CG . 27960 1
64 . 1 . 1 6 6 FOH CD C 13 52.50 0.30 . 1 . . . . . 6 FOH CD . 27960 1
65 . 1 . 1 6 6 FOH N N 15 121.66 0.10 . 1 . . . . . 6 FOH N . 27960 1
66 . 1 . 1 7 7 LYS H H 1 8.41 0.01 . 1 . . . . . 7 LYS H . 27960 1
67 . 1 . 1 7 7 LYS HA H 1 4.28 0.05 . 1 . . . . . 7 LYS HA . 27960 1
68 . 1 . 1 7 7 LYS HB2 H 1 1.76 0.05 . 2 . . . . . 7 LYS HB2 . 27960 1
69 . 1 . 1 7 7 LYS HB3 H 1 1.76 0.05 . 2 . . . . . 7 LYS HB3 . 27960 1
70 . 1 . 1 7 7 LYS HG2 H 1 1.17 0.05 . 2 . . . . . 7 LYS HG2 . 27960 1
71 . 1 . 1 7 7 LYS HG3 H 1 1.30 0.05 . 2 . . . . . 7 LYS HG3 . 27960 1
72 . 1 . 1 7 7 LYS HD2 H 1 1.51 0.05 . 2 . . . . . 7 LYS HD2 . 27960 1
73 . 1 . 1 7 7 LYS HD3 H 1 1.51 0.05 . 2 . . . . . 7 LYS HD3 . 27960 1
74 . 1 . 1 7 7 LYS HE2 H 1 3.12 0.05 . 2 . . . . . 7 LYS HE2 . 27960 1
75 . 1 . 1 7 7 LYS HE3 H 1 3.37 0.05 . 2 . . . . . 7 LYS HE3 . 27960 1
76 . 1 . 1 7 7 LYS HZ1 H 1 8.07 0.01 . 1 . . . . . 7 LYS HZ . 27960 1
77 . 1 . 1 7 7 LYS HZ2 H 1 8.07 0.01 . 1 . . . . . 7 LYS HZ . 27960 1
78 . 1 . 1 7 7 LYS HZ3 H 1 8.07 0.01 . 1 . . . . . 7 LYS HZ . 27960 1
79 . 1 . 1 7 7 LYS C C 13 176.62 0.10 . 1 . . . . . 7 LYS C . 27960 1
80 . 1 . 1 7 7 LYS CA C 13 56.47 0.30 . 1 . . . . . 7 LYS CA . 27960 1
81 . 1 . 1 7 7 LYS CB C 13 33.42 0.30 . 1 . . . . . 7 LYS CB . 27960 1
82 . 1 . 1 7 7 LYS CG C 13 24.33 0.30 . 1 . . . . . 7 LYS CG . 27960 1
83 . 1 . 1 7 7 LYS CD C 13 30.19 0.30 . 1 . . . . . 7 LYS CD . 27960 1
84 . 1 . 1 7 7 LYS CE C 13 42.21 0.30 . 1 . . . . . 7 LYS CE . 27960 1
85 . 1 . 1 7 7 LYS N N 15 123.96 0.10 . 1 . . . . . 7 LYS N . 27960 1
86 . 1 . 1 7 7 LYS NZ N 15 121.93 0.10 . 1 . . . . . 7 LYS NZ . 27960 1
87 . 1 . 1 8 8 FOH H H 1 8.79 0.01 . 1 . . . . . 8 FOH H . 27960 1
88 . 1 . 1 8 8 FOH HA H 1 4.30 0.05 . 2 . . . . . 8 FOH HA . 27960 1
89 . 1 . 1 8 8 FOH HB2 H 1 1.82 0.05 . 2 . . . . . 8 FOH HB2 . 27960 1
90 . 1 . 1 8 8 FOH HB3 H 1 1.90 0.05 . 2 . . . . . 8 FOH HB3 . 27960 1
91 . 1 . 1 8 8 FOH HG2 H 1 1.76 0.05 . 2 . . . . . 8 FOH HG2 . 27960 1
92 . 1 . 1 8 8 FOH HG3 H 1 1.86 0.05 . 2 . . . . . 8 FOH HG3 . 27960 1
93 . 1 . 1 8 8 FOH HD2 H 1 3.60 0.05 . 2 . . . . . 8 FOH HD2 . 27960 1
94 . 1 . 1 8 8 FOH HD3 H 1 3.60 0.05 . 2 . . . . . 8 FOH HD3 . 27960 1
95 . 1 . 1 8 8 FOH C C 13 177.56 0.10 . 1 . . . . . 8 FOH C . 27960 1
96 . 1 . 1 8 8 FOH CA C 13 57.39 0.30 . 1 . . . . . 8 FOH CA . 27960 1
97 . 1 . 1 8 8 FOH CB C 13 30.40 0.30 . 1 . . . . . 8 FOH CB . 27960 1
98 . 1 . 1 8 8 FOH CG C 13 25.04 0.30 . 1 . . . . . 8 FOH CG . 27960 1
99 . 1 . 1 8 8 FOH CD C 13 48.90 0.30 . 1 . . . . . 8 FOH CD . 27960 1
100 . 1 . 1 8 8 FOH N N 15 124.79 0.10 . 1 . . . . . 8 FOH N . 27960 1
101 . 1 . 1 9 9 THR H H 1 8.33 0.01 . 1 . . . . . 9 THR H . 27960 1
102 . 1 . 1 9 9 THR HA H 1 4.19 0.05 . 1 . . . . . 9 THR HA . 27960 1
103 . 1 . 1 9 9 THR HB H 1 4.44 0.05 . 1 . . . . . 9 THR HB . 27960 1
104 . 1 . 1 9 9 THR HG21 H 1 1.22 0.05 . 1 . . . . . 9 THR HG1 . 27960 1
105 . 1 . 1 9 9 THR HG22 H 1 1.22 0.05 . 1 . . . . . 9 THR HG1 . 27960 1
106 . 1 . 1 9 9 THR HG23 H 1 1.22 0.05 . 1 . . . . . 9 THR HG1 . 27960 1
107 . 1 . 1 9 9 THR C C 13 175.15 0.10 . 1 . . . . . 9 THR C . 27960 1
108 . 1 . 1 9 9 THR CA C 13 61.94 0.30 . 1 . . . . . 9 THR CA . 27960 1
109 . 1 . 1 9 9 THR CB C 13 69.44 0.30 . 1 . . . . . 9 THR CB . 27960 1
110 . 1 . 1 9 9 THR CG2 C 13 22.09 0.30 . 1 . . . . . 9 THR CG2 . 27960 1
111 . 1 . 1 9 9 THR N N 15 112.04 0.10 . 1 . . . . . 9 THR N . 27960 1
112 . 1 . 1 10 10 THR H H 1 8.53 0.01 . 1 . . . . . 10 THR H . 27960 1
113 . 1 . 1 10 10 THR HA H 1 4.09 0.05 . 1 . . . . . 10 THR HA . 27960 1
114 . 1 . 1 10 10 THR HB H 1 4.37 0.05 . 1 . . . . . 10 THR HB . 27960 1
115 . 1 . 1 10 10 THR HG21 H 1 1.22 0.05 . 1 . . . . . 10 THR HG1 . 27960 1
116 . 1 . 1 10 10 THR HG22 H 1 1.22 0.05 . 1 . . . . . 10 THR HG1 . 27960 1
117 . 1 . 1 10 10 THR HG23 H 1 1.22 0.05 . 1 . . . . . 10 THR HG1 . 27960 1
118 . 1 . 1 10 10 THR C C 13 174.64 0.10 . 1 . . . . . 10 THR C . 27960 1
119 . 1 . 1 10 10 THR CA C 13 62.60 0.30 . 1 . . . . . 10 THR CA . 27960 1
120 . 1 . 1 10 10 THR CB C 13 69.06 0.30 . 1 . . . . . 10 THR CB . 27960 1
121 . 1 . 1 10 10 THR CG2 C 13 22.09 0.30 . 1 . . . . . 10 THR CG2 . 27960 1
122 . 1 . 1 10 10 THR N N 15 114.64 0.10 . 1 . . . . . 10 THR N . 27960 1
stop_
save_