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 52987
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'chemical shift assignments'
_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 '1D 1H' . . . 52987 1
2 '2D 1H-15N HSQC' . . . 52987 1
3 '2D 1H-13C HSQC aliphatic' . . . 52987 1
4 '2D 1H-13C HSQC aromatic' . . . 52987 1
5 '2D 1H-1H TOCSY' . . . 52987 1
6 '2D 1H-1H COSY' . . . 52987 1
7 '2D 1H-1H NOESY' . . . 52987 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 . . 52987 1
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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 SER HA H 1 3.561 0.000 . 1 . . . . . 1 SER HA . 52987 1
2 . 1 . 1 1 1 SER HB2 H 1 3.807 0.000 . 2 . . . . . 1 SER HB2 . 52987 1
3 . 1 . 1 1 1 SER CA C 13 54.581 0.000 . 1 . . . . . 1 SER CA . 52987 1
4 . 1 . 1 1 1 SER CB C 13 59.732 0.000 . 1 . . . . . 1 SER CB . 52987 1
5 . 1 . 1 2 2 TRP H H 1 8.855 0.001 . 1 . . . . . 2 TRP H . 52987 1
6 . 1 . 1 2 2 TRP HA H 1 5.182 0.009 . 1 . . . . . 2 TRP HA . 52987 1
7 . 1 . 1 2 2 TRP HB2 H 1 3.009 0.006 . 2 . . . . . 2 TRP HB2 . 52987 1
8 . 1 . 1 2 2 TRP HB3 H 1 2.966 0.003 . 2 . . . . . 2 TRP HB3 . 52987 1
9 . 1 . 1 2 2 TRP HD1 H 1 7.373 0.003 . 1 . . . . . 2 TRP HD1 . 52987 1
10 . 1 . 1 2 2 TRP HE1 H 1 10.278 0.002 . 1 . . . . . 2 TRP HE1 . 52987 1
11 . 1 . 1 2 2 TRP HE3 H 1 7.385 0.002 . 1 . . . . . 2 TRP HE3 . 52987 1
12 . 1 . 1 2 2 TRP HZ2 H 1 7.423 0.002 . 1 . . . . . 2 TRP HZ2 . 52987 1
13 . 1 . 1 2 2 TRP HZ3 H 1 7.199 0.002 . 1 . . . . . 2 TRP HZ3 . 52987 1
14 . 1 . 1 2 2 TRP HH2 H 1 7.277 0.003 . 1 . . . . . 2 TRP HH2 . 52987 1
15 . 1 . 1 2 2 TRP CA C 13 54.427 0.000 . 1 . . . . . 2 TRP CA . 52987 1
16 . 1 . 1 2 2 TRP CB C 13 28.387 0.008 . 1 . . . . . 2 TRP CB . 52987 1
17 . 1 . 1 2 2 TRP CD1 C 13 125.021 0.000 . 1 . . . . . 2 TRP CD1 . 52987 1
18 . 1 . 1 2 2 TRP CE3 C 13 117.434 0.000 . 1 . . . . . 2 TRP CE3 . 52987 1
19 . 1 . 1 2 2 TRP CZ2 C 13 112.384 0.000 . 1 . . . . . 2 TRP CZ2 . 52987 1
20 . 1 . 1 2 2 TRP CZ3 C 13 119.860 0.000 . 1 . . . . . 2 TRP CZ3 . 52987 1
21 . 1 . 1 2 2 TRP CH2 C 13 122.059 0.000 . 1 . . . . . 2 TRP CH2 . 52987 1
22 . 1 . 1 2 2 TRP N N 15 122.931 0.000 . 1 . . . . . 2 TRP N . 52987 1
23 . 1 . 1 2 2 TRP NE1 N 15 129.798 0.000 . 1 . . . . . 2 TRP NE1 . 52987 1
24 . 1 . 1 3 3 THR H H 1 9.471 0.004 . 1 . . . . . 3 THR H . 52987 1
25 . 1 . 1 3 3 THR HA H 1 4.892 0.005 . 1 . . . . . 3 THR HA . 52987 1
26 . 1 . 1 3 3 THR HB H 1 4.011 0.000 . 1 . . . . . 3 THR HB . 52987 1
27 . 1 . 1 3 3 THR HG21 H 1 1.119 0.002 . 1 . . . . . 3 THR HG2 . 52987 1
28 . 1 . 1 3 3 THR HG22 H 1 1.119 0.002 . 1 . . . . . 3 THR HG2 . 52987 1
29 . 1 . 1 3 3 THR HG23 H 1 1.119 0.002 . 1 . . . . . 3 THR HG2 . 52987 1
30 . 1 . 1 3 3 THR CA C 13 58.129 0.000 . 1 . . . . . 3 THR CA . 52987 1
31 . 1 . 1 3 3 THR CB C 13 68.959 0.000 . 1 . . . . . 3 THR CB . 52987 1
32 . 1 . 1 3 3 THR CG2 C 13 18.178 0.000 . 1 . . . . . 3 THR CG2 . 52987 1
33 . 1 . 1 3 3 THR N N 15 118.470 0.000 . 1 . . . . . 3 THR N . 52987 1
34 . 1 . 1 4 4 F7W H H 1 8.853 0.003 . 1 . . . . . 4 F7W H . 52987 1
35 . 1 . 1 4 4 F7W HA H 1 4.660 0.003 . 1 . . . . . 4 F7W HA . 52987 1
36 . 1 . 1 4 4 F7W HB2 H 1 2.986 0.002 . 2 . . . . . 4 F7W HB2 . 52987 1
37 . 1 . 1 4 4 F7W HB3 H 1 2.190 0.002 . 2 . . . . . 4 F7W HB3 . 52987 1
38 . 1 . 1 4 4 F7W HD1 H 1 6.954 0.003 . 1 . . . . . 4 F7W HD1 . 52987 1
39 . 1 . 1 4 4 F7W HE1 H 1 10.362 0.001 . 1 . . . . . 4 F7W HE1 . 52987 1
40 . 1 . 1 4 4 F7W HE3 H 1 5.460 0.003 . 1 . . . . . 4 F7W HE3 . 52987 1
41 . 1 . 1 4 4 F7W HZ3 H 1 6.434 0.003 . 1 . . . . . 4 F7W HZ3 . 52987 1
42 . 1 . 1 4 4 F7W HH2 H 1 6.689 0.002 . 1 . . . . . 4 F7W HH2 . 52987 1
43 . 1 . 1 4 4 F7W CB C 13 25.990 0.000 . 1 . . . . . 4 F7W CB . 52987 1
44 . 1 . 1 4 4 F7W CD1 C 13 125.285 0.000 . 1 . . . . . 4 F7W CD1 . 52987 1
45 . 1 . 1 4 4 F7W CE3 C 13 117.520 0.000 . 1 . . . . . 4 F7W CE3 . 52987 1
46 . 1 . 1 4 4 F7W CZ3 C 13 119.236 0.000 . 1 . . . . . 4 F7W CZ3 . 52987 1
47 . 1 . 1 4 4 F7W CH2 C 13 106.815 0.000 . 1 . . . . . 4 F7W CH2 . 52987 1
48 . 1 . 1 4 4 F7W N N 15 128.613 0.000 . 1 . . . . . 4 F7W N . 52987 1
49 . 1 . 1 4 4 F7W NE1 N 15 122.689 0.000 . 1 . . . . . 4 F7W NE1 . 52987 1
50 . 1 . 1 5 5 GLU H H 1 8.497 0.002 . 1 . . . . . 5 GLU H . 52987 1
51 . 1 . 1 5 5 GLU HA H 1 4.426 0.004 . 1 . . . . . 5 GLU HA . 52987 1
52 . 1 . 1 5 5 GLU HB2 H 1 1.957 0.001 . 2 . . . . . 5 GLU HB2 . 52987 1
53 . 1 . 1 5 5 GLU HB3 H 1 1.810 0.002 . 2 . . . . . 5 GLU HB3 . 52987 1
54 . 1 . 1 5 5 GLU HG2 H 1 2.269 0.002 . 2 . . . . . 5 GLU HG2 . 52987 1
55 . 1 . 1 5 5 GLU HG3 H 1 2.231 0.003 . 2 . . . . . 5 GLU HG3 . 52987 1
56 . 1 . 1 5 5 GLU CA C 13 52.221 0.000 . 1 . . . . . 5 GLU CA . 52987 1
57 . 1 . 1 5 5 GLU CB C 13 28.508 0.001 . 1 . . . . . 5 GLU CB . 52987 1
58 . 1 . 1 5 5 GLU CG C 13 30.538 0.001 . 1 . . . . . 5 GLU CG . 52987 1
59 . 1 . 1 5 5 GLU N N 15 126.694 0.000 . 1 . . . . . 5 GLU N . 52987 1
60 . 1 . 1 6 6 ASN H H 1 9.200 0.001 . 1 . . . . . 6 ASN H . 52987 1
61 . 1 . 1 6 6 ASN HA H 1 4.212 0.001 . 1 . . . . . 6 ASN HA . 52987 1
62 . 1 . 1 6 6 ASN HB2 H 1 2.918 0.001 . 2 . . . . . 6 ASN HB2 . 52987 1
63 . 1 . 1 6 6 ASN HB3 H 1 2.649 0.003 . 2 . . . . . 6 ASN HB3 . 52987 1
64 . 1 . 1 6 6 ASN HD21 H 1 7.583 0.000 . 2 . . . . . 6 ASN HD21 . 52987 1
65 . 1 . 1 6 6 ASN HD22 H 1 6.890 0.000 . 2 . . . . . 6 ASN HD22 . 52987 1
66 . 1 . 1 6 6 ASN CA C 13 51.342 0.000 . 1 . . . . . 6 ASN CA . 52987 1
67 . 1 . 1 6 6 ASN CB C 13 34.746 0.004 . 1 . . . . . 6 ASN CB . 52987 1
68 . 1 . 1 6 6 ASN N N 15 122.805 0.000 . 1 . . . . . 6 ASN N . 52987 1
69 . 1 . 1 6 6 ASN ND2 N 15 113.214 0.010 . 1 . . . . . 6 ASN ND2 . 52987 1
70 . 1 . 1 7 7 GLY H H 1 7.795 0.002 . 1 . . . . . 7 GLY H . 52987 1
71 . 1 . 1 7 7 GLY HA2 H 1 3.860 0.004 . 2 . . . . . 7 GLY HA2 . 52987 1
72 . 1 . 1 7 7 GLY HA3 H 1 3.303 0.006 . 2 . . . . . 7 GLY HA3 . 52987 1
73 . 1 . 1 7 7 GLY CA C 13 42.752 0.002 . 1 . . . . . 7 GLY CA . 52987 1
74 . 1 . 1 7 7 GLY N N 15 101.801 0.000 . 1 . . . . . 7 GLY N . 52987 1
75 . 1 . 1 8 8 LYS H H 1 6.916 0.001 . 1 . . . . . 8 LYS H . 52987 1
76 . 1 . 1 8 8 LYS HA H 1 4.181 0.001 . 1 . . . . . 8 LYS HA . 52987 1
77 . 1 . 1 8 8 LYS HB2 H 1 1.692 0.002 . 2 . . . . . 8 LYS HB2 . 52987 1
78 . 1 . 1 8 8 LYS HB3 H 1 1.623 0.002 . 2 . . . . . 8 LYS HB3 . 52987 1
79 . 1 . 1 8 8 LYS HG2 H 1 1.259 0.002 . 2 . . . . . 8 LYS HG2 . 52987 1
80 . 1 . 1 8 8 LYS HG3 H 1 1.188 0.002 . 2 . . . . . 8 LYS HG3 . 52987 1
81 . 1 . 1 8 8 LYS HD2 H 1 1.642 0.001 . 2 . . . . . 8 LYS HD2 . 52987 1
82 . 1 . 1 8 8 LYS HE2 H 1 3.003 0.002 . 2 . . . . . 8 LYS HE2 . 52987 1
83 . 1 . 1 8 8 LYS CA C 13 51.856 0.000 . 1 . . . . . 8 LYS CA . 52987 1
84 . 1 . 1 8 8 LYS CB C 13 32.719 0.001 . 1 . . . . . 8 LYS CB . 52987 1
85 . 1 . 1 8 8 LYS CG C 13 20.686 0.011 . 1 . . . . . 8 LYS CG . 52987 1
86 . 1 . 1 8 8 LYS CD C 13 26.463 0.000 . 1 . . . . . 8 LYS CD . 52987 1
87 . 1 . 1 8 8 LYS CE C 13 39.525 0.000 . 1 . . . . . 8 LYS CE . 52987 1
88 . 1 . 1 8 8 LYS N N 15 117.278 0.000 . 1 . . . . . 8 LYS N . 52987 1
89 . 1 . 1 9 9 TRP H H 1 8.584 0.001 . 1 . . . . . 9 TRP H . 52987 1
90 . 1 . 1 9 9 TRP HA H 1 5.070 0.002 . 1 . . . . . 9 TRP HA . 52987 1
91 . 1 . 1 9 9 TRP HB2 H 1 3.249 0.002 . 2 . . . . . 9 TRP HB2 . 52987 1
92 . 1 . 1 9 9 TRP HB3 H 1 2.924 0.002 . 2 . . . . . 9 TRP HB3 . 52987 1
93 . 1 . 1 9 9 TRP HD1 H 1 7.246 0.002 . 1 . . . . . 9 TRP HD1 . 52987 1
94 . 1 . 1 9 9 TRP HE1 H 1 9.908 0.001 . 1 . . . . . 9 TRP HE1 . 52987 1
95 . 1 . 1 9 9 TRP HE3 H 1 7.204 0.001 . 1 . . . . . 9 TRP HE3 . 52987 1
96 . 1 . 1 9 9 TRP HZ2 H 1 7.286 0.002 . 1 . . . . . 9 TRP HZ2 . 52987 1
97 . 1 . 1 9 9 TRP HZ3 H 1 7.064 0.003 . 1 . . . . . 9 TRP HZ3 . 52987 1
98 . 1 . 1 9 9 TRP HH2 H 1 7.194 0.003 . 1 . . . . . 9 TRP HH2 . 52987 1
99 . 1 . 1 9 9 TRP CA C 13 54.620 0.000 . 1 . . . . . 9 TRP CA . 52987 1
100 . 1 . 1 9 9 TRP CB C 13 27.136 0.004 . 1 . . . . . 9 TRP CB . 52987 1
101 . 1 . 1 9 9 TRP CD1 C 13 125.195 0.000 . 1 . . . . . 9 TRP CD1 . 52987 1
102 . 1 . 1 9 9 TRP CE3 C 13 117.267 0.000 . 1 . . . . . 9 TRP CE3 . 52987 1
103 . 1 . 1 9 9 TRP CZ2 C 13 112.514 0.000 . 1 . . . . . 9 TRP CZ2 . 52987 1
104 . 1 . 1 9 9 TRP CZ3 C 13 119.299 0.000 . 1 . . . . . 9 TRP CZ3 . 52987 1
105 . 1 . 1 9 9 TRP CH2 C 13 121.910 0.000 . 1 . . . . . 9 TRP CH2 . 52987 1
106 . 1 . 1 9 9 TRP N N 15 123.928 0.000 . 1 . . . . . 9 TRP N . 52987 1
107 . 1 . 1 9 9 TRP NE1 N 15 129.368 0.000 . 1 . . . . . 9 TRP NE1 . 52987 1
108 . 1 . 1 10 10 THR H H 1 9.758 0.002 . 1 . . . . . 10 THR H . 52987 1
109 . 1 . 1 10 10 THR HA H 1 4.867 0.005 . 1 . . . . . 10 THR HA . 52987 1
110 . 1 . 1 10 10 THR HB H 1 4.029 0.002 . 1 . . . . . 10 THR HB . 52987 1
111 . 1 . 1 10 10 THR HG21 H 1 1.183 0.002 . 1 . . . . . 10 THR HG2 . 52987 1
112 . 1 . 1 10 10 THR HG22 H 1 1.183 0.002 . 1 . . . . . 10 THR HG2 . 52987 1
113 . 1 . 1 10 10 THR HG23 H 1 1.183 0.002 . 1 . . . . . 10 THR HG2 . 52987 1
114 . 1 . 1 10 10 THR CA C 13 59.218 0.000 . 1 . . . . . 10 THR CA . 52987 1
115 . 1 . 1 10 10 THR CB C 13 69.157 0.000 . 1 . . . . . 10 THR CB . 52987 1
116 . 1 . 1 10 10 THR CG2 C 13 18.049 0.000 . 1 . . . . . 10 THR CG2 . 52987 1
117 . 1 . 1 10 10 THR N N 15 122.076 0.000 . 1 . . . . . 10 THR N . 52987 1
118 . 1 . 1 11 11 TRP H H 1 8.996 0.001 . 1 . . . . . 11 TRP H . 52987 1
119 . 1 . 1 11 11 TRP HA H 1 4.241 0.002 . 1 . . . . . 11 TRP HA . 52987 1
120 . 1 . 1 11 11 TRP HB2 H 1 2.760 0.001 . 2 . . . . . 11 TRP HB2 . 52987 1
121 . 1 . 1 11 11 TRP HB3 H 1 2.099 0.003 . 2 . . . . . 11 TRP HB3 . 52987 1
122 . 1 . 1 11 11 TRP HD1 H 1 6.814 0.002 . 1 . . . . . 11 TRP HD1 . 52987 1
123 . 1 . 1 11 11 TRP HE1 H 1 10.001 0.001 . 1 . . . . . 11 TRP HE1 . 52987 1
124 . 1 . 1 11 11 TRP HE3 H 1 5.329 0.003 . 1 . . . . . 11 TRP HE3 . 52987 1
125 . 1 . 1 11 11 TRP HZ2 H 1 7.387 0.003 . 1 . . . . . 11 TRP HZ2 . 52987 1
126 . 1 . 1 11 11 TRP HZ3 H 1 6.559 0.002 . 1 . . . . . 11 TRP HZ3 . 52987 1
127 . 1 . 1 11 11 TRP HH2 H 1 7.091 0.002 . 1 . . . . . 11 TRP HH2 . 52987 1
128 . 1 . 1 11 11 TRP CA C 13 54.304 0.000 . 1 . . . . . 11 TRP CA . 52987 1
129 . 1 . 1 11 11 TRP CB C 13 25.970 0.002 . 1 . . . . . 11 TRP CB . 52987 1
130 . 1 . 1 11 11 TRP CD1 C 13 125.094 0.000 . 1 . . . . . 11 TRP CD1 . 52987 1
131 . 1 . 1 11 11 TRP CE3 C 13 118.076 0.000 . 1 . . . . . 11 TRP CE3 . 52987 1
132 . 1 . 1 11 11 TRP CZ2 C 13 111.999 0.000 . 1 . . . . . 11 TRP CZ2 . 52987 1
133 . 1 . 1 11 11 TRP CZ3 C 13 117.755 0.000 . 1 . . . . . 11 TRP CZ3 . 52987 1
134 . 1 . 1 11 11 TRP CH2 C 13 121.242 0.000 . 1 . . . . . 11 TRP CH2 . 52987 1
135 . 1 . 1 11 11 TRP N N 15 129.299 0.000 . 1 . . . . . 11 TRP N . 52987 1
136 . 1 . 1 11 11 TRP NE1 N 15 129.940 0.000 . 1 . . . . . 11 TRP NE1 . 52987 1
137 . 1 . 1 12 12 LYS H H 1 7.614 0.001 . 1 . . . . . 12 LYS H . 52987 1
138 . 1 . 1 12 12 LYS HA H 1 4.146 0.002 . 1 . . . . . 12 LYS HA . 52987 1
139 . 1 . 1 12 12 LYS HB2 H 1 1.465 0.000 . 2 . . . . . 12 LYS HB2 . 52987 1
140 . 1 . 1 12 12 LYS HB3 H 1 1.344 0.002 . 2 . . . . . 12 LYS HB3 . 52987 1
141 . 1 . 1 12 12 LYS HG2 H 1 1.200 0.003 . 2 . . . . . 12 LYS HG2 . 52987 1
142 . 1 . 1 12 12 LYS HG3 H 1 1.121 0.002 . 2 . . . . . 12 LYS HG3 . 52987 1
143 . 1 . 1 12 12 LYS HD2 H 1 1.513 0.002 . 2 . . . . . 12 LYS HD2 . 52987 1
144 . 1 . 1 12 12 LYS HE2 H 1 2.829 0.003 . 2 . . . . . 12 LYS HE2 . 52987 1
145 . 1 . 1 12 12 LYS CA C 13 51.600 0.000 . 1 . . . . . 12 LYS CA . 52987 1
146 . 1 . 1 12 12 LYS CB C 13 30.904 0.003 . 1 . . . . . 12 LYS CB . 52987 1
147 . 1 . 1 12 12 LYS CG C 13 21.698 0.006 . 1 . . . . . 12 LYS CG . 52987 1
148 . 1 . 1 12 12 LYS CD C 13 26.117 0.000 . 1 . . . . . 12 LYS CD . 52987 1
149 . 1 . 1 12 12 LYS CE C 13 39.296 0.000 . 1 . . . . . 12 LYS CE . 52987 1
150 . 1 . 1 12 12 LYS N N 15 128.714 0.000 . 1 . . . . . 12 LYS N . 52987 1
151 . 1 . 1 13 13 NH2 HN1 H 1 7.363 0.000 . 2 . . . . . 13 NH2 H1 . 52987 1
152 . 1 . 1 13 13 NH2 HN2 H 1 6.675 0.000 . 2 . . . . . 13 NH2 H2 . 52987 1
153 . 1 . 1 13 13 NH2 N N 15 109.976 0.008 . 1 . . . . . 13 NH2 N . 52987 1
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