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 52965
_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
2 '2D 1H-15N HSQC' . . . 52965 1
3 '2D 1H-13C HSQC aliphatic' . . . 52965 1
4 '2D 1H-13C HSQC aromatic' . . . 52965 1
5 '2D 1H-1H TOCSY' . . . 52965 1
6 '2D 1H-1H COSY' . . . 52965 1
7 '2D 1H-1H NOESY' . . . 52965 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 . . 52965 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 SER HA H 1 3.571 0.000 . 1 . . . . . 1 SER HA . 52965 1
2 . 1 . 1 1 1 SER HB2 H 1 3.801 0.012 . 2 . . . . . 1 SER HB2 . 52965 1
3 . 1 . 1 1 1 SER CA C 13 57.387 0.000 . 1 . . . . . 1 SER CA . 52965 1
4 . 1 . 1 1 1 SER CB C 13 62.585 0.003 . 1 . . . . . 1 SER CB . 52965 1
5 . 1 . 1 2 2 TRP H H 1 8.813 0.003 . 1 . . . . . 2 TRP H . 52965 1
6 . 1 . 1 2 2 TRP HA H 1 5.079 0.007 . 1 . . . . . 2 TRP HA . 52965 1
7 . 1 . 1 2 2 TRP HB2 H 1 2.925 0.001 . 2 . . . . . 2 TRP HB2 . 52965 1
8 . 1 . 1 2 2 TRP HB3 H 1 2.698 0.006 . 2 . . . . . 2 TRP HB3 . 52965 1
9 . 1 . 1 2 2 TRP HD1 H 1 7.384 0.003 . 1 . . . . . 2 TRP HD1 . 52965 1
10 . 1 . 1 2 2 TRP HE1 H 1 10.238 0.002 . 1 . . . . . 2 TRP HE1 . 52965 1
11 . 1 . 1 2 2 TRP HE3 H 1 7.119 0.002 . 1 . . . . . 2 TRP HE3 . 52965 1
12 . 1 . 1 2 2 TRP HZ2 H 1 7.388 0.007 . 1 . . . . . 2 TRP HZ2 . 52965 1
13 . 1 . 1 2 2 TRP HZ3 H 1 7.117 0.002 . 1 . . . . . 2 TRP HZ3 . 52965 1
14 . 1 . 1 2 2 TRP HH2 H 1 7.249 0.002 . 1 . . . . . 2 TRP HH2 . 52965 1
15 . 1 . 1 2 2 TRP CA C 13 57.183 0.000 . 1 . . . . . 2 TRP CA . 52965 1
16 . 1 . 1 2 2 TRP CB C 13 30.986 0.009 . 1 . . . . . 2 TRP CB . 52965 1
17 . 1 . 1 2 2 TRP CD1 C 13 127.586 0.000 . 1 . . . . . 2 TRP CD1 . 52965 1
18 . 1 . 1 2 2 TRP CE3 C 13 120.324 0.000 . 1 . . . . . 2 TRP CE3 . 52965 1
19 . 1 . 1 2 2 TRP CZ2 C 13 114.842 0.000 . 1 . . . . . 2 TRP CZ2 . 52965 1
20 . 1 . 1 2 2 TRP CZ3 C 13 122.579 0.000 . 1 . . . . . 2 TRP CZ3 . 52965 1
21 . 1 . 1 2 2 TRP CH2 C 13 124.734 0.000 . 1 . . . . . 2 TRP CH2 . 52965 1
22 . 1 . 1 2 2 TRP N N 15 122.990 0.000 . 1 . . . . . 2 TRP N . 52965 1
23 . 1 . 1 2 2 TRP NE1 N 15 129.692 0.000 . 1 . . . . . 2 TRP NE1 . 52965 1
24 . 1 . 1 3 3 THR H H 1 9.261 0.002 . 1 . . . . . 3 THR H . 52965 1
25 . 1 . 1 3 3 THR HA H 1 4.751 0.008 . 1 . . . . . 3 THR HA . 52965 1
26 . 1 . 1 3 3 THR HB H 1 3.987 0.000 . 1 . . . . . 3 THR HB . 52965 1
27 . 1 . 1 3 3 THR HG21 H 1 1.064 0.002 . 1 . . . . . 3 THR HG2 . 52965 1
28 . 1 . 1 3 3 THR HG22 H 1 1.064 0.002 . 1 . . . . . 3 THR HG2 . 52965 1
29 . 1 . 1 3 3 THR HG23 H 1 1.064 0.002 . 1 . . . . . 3 THR HG2 . 52965 1
30 . 1 . 1 3 3 THR CB C 13 71.590 0.000 . 1 . . . . . 3 THR CB . 52965 1
31 . 1 . 1 3 3 THR CG2 C 13 20.689 0.000 . 1 . . . . . 3 THR CG2 . 52965 1
32 . 1 . 1 3 3 THR N N 15 118.046 0.000 . 1 . . . . . 3 THR N . 52965 1
33 . 1 . 1 4 4 4FW H H 1 8.674 0.002 . 1 . . . . . 4 4FW H . 52965 1
34 . 1 . 1 4 4 4FW HA H 1 4.819 0.001 . 1 . . . . . 4 4FW HA . 52965 1
35 . 1 . 1 4 4 4FW HB2 H 1 3.053 0.001 . 2 . . . . . 4 4FW HB2 . 52965 1
36 . 1 . 1 4 4 4FW HB3 H 1 2.383 0.002 . 2 . . . . . 4 4FW HB3 . 52965 1
37 . 1 . 1 4 4 4FW HD1 H 1 7.016 0.001 . 1 . . . . . 4 4FW HD1 . 52965 1
38 . 1 . 1 4 4 4FW HE1 H 1 9.953 0.002 . 1 . . . . . 4 4FW HE1 . 52965 1
39 . 1 . 1 4 4 4FW HE3 H 1 6.127 0.003 . 1 . . . . . 4 4FW HE3 . 52965 1
40 . 1 . 1 4 4 4FW HZ2 H 1 7.212 0.003 . 1 . . . . . 4 4FW HZ2 . 52965 1
41 . 1 . 1 4 4 4FW HZ3 H 1 6.695 0.006 . 1 . . . . . 4 4FW HZ3 . 52965 1
42 . 1 . 1 4 4 4FW HH2 H 1 7.000 0.003 . 1 . . . . . 4 4FW HH2 . 52965 1
43 . 1 . 1 4 4 4FW CB C 13 29.119 0.003 . 1 . . . . . 4 4FW CB . 52965 1
44 . 1 . 1 4 4 4FW CE3 C 13 119.943 0.000 . 1 . . . . . 4 4FW CE3 . 52965 1
45 . 1 . 1 4 4 4FW CZ2 C 13 114.125 0.000 . 1 . . . . . 4 4FW CZ2 . 52965 1
46 . 1 . 1 4 4 4FW CZ3 C 13 121.812 0.000 . 1 . . . . . 4 4FW CZ3 . 52965 1
47 . 1 . 1 4 4 4FW CH2 C 13 124.690 0.000 . 1 . . . . . 4 4FW CH2 . 52965 1
48 . 1 . 1 4 4 4FW N N 15 127.256 0.000 . 1 . . . . . 4 4FW N . 52965 1
49 . 1 . 1 4 4 4FW NE1 N 15 128.693 0.000 . 1 . . . . . 4 4FW NE1 . 52965 1
50 . 1 . 1 5 5 GLU H H 1 8.625 0.002 . 1 . . . . . 5 GLU H . 52965 1
51 . 1 . 1 5 5 GLU HA H 1 4.432 0.002 . 1 . . . . . 5 GLU HA . 52965 1
52 . 1 . 1 5 5 GLU HB2 H 1 1.952 0.002 . 2 . . . . . 5 GLU HB2 . 52965 1
53 . 1 . 1 5 5 GLU HB3 H 1 1.789 0.003 . 2 . . . . . 5 GLU HB3 . 52965 1
54 . 1 . 1 5 5 GLU HG2 H 1 2.196 0.000 . 2 . . . . . 5 GLU HG2 . 52965 1
55 . 1 . 1 5 5 GLU HG3 H 1 2.144 0.001 . 2 . . . . . 5 GLU HG3 . 52965 1
56 . 1 . 1 5 5 GLU CA C 13 55.304 0.000 . 1 . . . . . 5 GLU CA . 52965 1
57 . 1 . 1 5 5 GLU CB C 13 31.640 0.004 . 1 . . . . . 5 GLU CB . 52965 1
58 . 1 . 1 5 5 GLU CG C 13 34.570 0.003 . 1 . . . . . 5 GLU CG . 52965 1
59 . 1 . 1 5 5 GLU N N 15 126.443 0.000 . 1 . . . . . 5 GLU N . 52965 1
60 . 1 . 1 6 6 ASN H H 1 9.233 0.001 . 1 . . . . . 6 ASN H . 52965 1
61 . 1 . 1 6 6 ASN HA H 1 4.232 0.002 . 1 . . . . . 6 ASN HA . 52965 1
62 . 1 . 1 6 6 ASN HB2 H 1 2.954 0.001 . 2 . . . . . 6 ASN HB2 . 52965 1
63 . 1 . 1 6 6 ASN HB3 H 1 2.663 0.003 . 2 . . . . . 6 ASN HB3 . 52965 1
64 . 1 . 1 6 6 ASN HD21 H 1 7.594 0.000 . 2 . . . . . 6 ASN HD21 . 52965 1
65 . 1 . 1 6 6 ASN HD22 H 1 6.895 0.000 . 2 . . . . . 6 ASN HD22 . 52965 1
66 . 1 . 1 6 6 ASN CA C 13 54.179 0.000 . 1 . . . . . 6 ASN CA . 52965 1
67 . 1 . 1 6 6 ASN CB C 13 37.552 0.000 . 1 . . . . . 6 ASN CB . 52965 1
68 . 1 . 1 6 6 ASN N N 15 123.673 0.000 . 1 . . . . . 6 ASN N . 52965 1
69 . 1 . 1 6 6 ASN ND2 N 15 113.293 0.001 . 1 . . . . . 6 ASN ND2 . 52965 1
70 . 1 . 1 7 7 GLY H H 1 7.874 0.001 . 1 . . . . . 7 GLY H . 52965 1
71 . 1 . 1 7 7 GLY HA2 H 1 3.919 0.004 . 2 . . . . . 7 GLY HA2 . 52965 1
72 . 1 . 1 7 7 GLY HA3 H 1 3.347 0.004 . 2 . . . . . 7 GLY HA3 . 52965 1
73 . 1 . 1 7 7 GLY CA C 13 45.810 0.001 . 1 . . . . . 7 GLY CA . 52965 1
74 . 1 . 1 7 7 GLY N N 15 102.278 0.000 . 1 . . . . . 7 GLY N . 52965 1
75 . 1 . 1 8 8 LYS H H 1 7.155 0.002 . 1 . . . . . 8 LYS H . 52965 1
76 . 1 . 1 8 8 LYS HA H 1 4.436 0.004 . 1 . . . . . 8 LYS HA . 52965 1
77 . 1 . 1 8 8 LYS HB2 H 1 1.751 0.004 . 2 . . . . . 8 LYS HB2 . 52965 1
78 . 1 . 1 8 8 LYS HB3 H 1 1.692 0.000 . 2 . . . . . 8 LYS HB3 . 52965 1
79 . 1 . 1 8 8 LYS HG3 H 1 1.295 0.000 . 2 . . . . . 8 LYS HG3 . 52965 1
80 . 1 . 1 8 8 LYS HD2 H 1 1.683 0.007 . 2 . . . . . 8 LYS HD2 . 52965 1
81 . 1 . 1 8 8 LYS HE2 H 1 3.026 0.005 . 2 . . . . . 8 LYS HE2 . 52965 1
82 . 1 . 1 8 8 LYS CA C 13 54.752 0.000 . 1 . . . . . 8 LYS CA . 52965 1
83 . 1 . 1 8 8 LYS CB C 13 35.365 0.005 . 1 . . . . . 8 LYS CB . 52965 1
84 . 1 . 1 8 8 LYS CG C 13 23.739 0.000 . 1 . . . . . 8 LYS CG . 52965 1
85 . 1 . 1 8 8 LYS CD C 13 29.089 0.000 . 1 . . . . . 8 LYS CD . 52965 1
86 . 1 . 1 8 8 LYS CE C 13 42.283 0.000 . 1 . . . . . 8 LYS CE . 52965 1
87 . 1 . 1 8 8 LYS N N 15 118.140 0.000 . 1 . . . . . 8 LYS N . 52965 1
88 . 1 . 1 9 9 TRP H H 1 8.674 0.001 . 1 . . . . . 9 TRP H . 52965 1
89 . 1 . 1 9 9 TRP HA H 1 4.946 0.001 . 1 . . . . . 9 TRP HA . 52965 1
90 . 1 . 1 9 9 TRP HB2 H 1 3.128 0.003 . 2 . . . . . 9 TRP HB2 . 52965 1
91 . 1 . 1 9 9 TRP HB3 H 1 2.686 0.006 . 2 . . . . . 9 TRP HB3 . 52965 1
92 . 1 . 1 9 9 TRP HD1 H 1 7.017 0.002 . 1 . . . . . 9 TRP HD1 . 52965 1
93 . 1 . 1 9 9 TRP HE1 H 1 9.654 0.002 . 1 . . . . . 9 TRP HE1 . 52965 1
94 . 1 . 1 9 9 TRP HE3 H 1 6.706 0.002 . 1 . . . . . 9 TRP HE3 . 52965 1
95 . 1 . 1 9 9 TRP HZ2 H 1 6.877 0.002 . 1 . . . . . 9 TRP HZ2 . 52965 1
96 . 1 . 1 9 9 TRP HZ3 H 1 6.709 0.000 . 1 . . . . . 9 TRP HZ3 . 52965 1
97 . 1 . 1 9 9 TRP CA C 13 57.237 0.000 . 1 . . . . . 9 TRP CA . 52965 1
98 . 1 . 1 9 9 TRP CB C 13 29.572 0.014 . 1 . . . . . 9 TRP CB . 52965 1
99 . 1 . 1 9 9 TRP CE3 C 13 120.869 0.000 . 1 . . . . . 9 TRP CE3 . 52965 1
100 . 1 . 1 9 9 TRP CZ2 C 13 101.043 0.000 . 1 . . . . . 9 TRP CZ2 . 52965 1
101 . 1 . 1 9 9 TRP CZ3 C 13 110.029 0.000 . 1 . . . . . 9 TRP CZ3 . 52965 1
102 . 1 . 1 9 9 TRP N N 15 125.688 0.000 . 1 . . . . . 9 TRP N . 52965 1
103 . 1 . 1 9 9 TRP NE1 N 15 130.363 0.000 . 1 . . . . . 9 TRP NE1 . 52965 1
104 . 1 . 1 10 10 THR H H 1 9.574 0.003 . 1 . . . . . 10 THR H . 52965 1
105 . 1 . 1 10 10 THR HA H 1 4.811 0.005 . 1 . . . . . 10 THR HA . 52965 1
106 . 1 . 1 10 10 THR HB H 1 3.960 0.003 . 1 . . . . . 10 THR HB . 52965 1
107 . 1 . 1 10 10 THR HG21 H 1 1.142 0.002 . 1 . . . . . 10 THR HG2 . 52965 1
108 . 1 . 1 10 10 THR HG22 H 1 1.142 0.002 . 1 . . . . . 10 THR HG2 . 52965 1
109 . 1 . 1 10 10 THR HG23 H 1 1.142 0.002 . 1 . . . . . 10 THR HG2 . 52965 1
110 . 1 . 1 10 10 THR CB C 13 72.067 0.000 . 1 . . . . . 10 THR CB . 52965 1
111 . 1 . 1 10 10 THR CG2 C 13 20.662 0.000 . 1 . . . . . 10 THR CG2 . 52965 1
112 . 1 . 1 10 10 THR N N 15 122.646 0.000 . 1 . . . . . 10 THR N . 52965 1
113 . 1 . 1 11 11 TRP H H 1 8.820 0.002 . 1 . . . . . 11 TRP H . 52965 1
114 . 1 . 1 11 11 TRP HA H 1 4.161 0.004 . 1 . . . . . 11 TRP HA . 52965 1
115 . 1 . 1 11 11 TRP HB2 H 1 2.696 0.004 . 2 . . . . . 11 TRP HB2 . 52965 1
116 . 1 . 1 11 11 TRP HB3 H 1 1.943 0.002 . 2 . . . . . 11 TRP HB3 . 52965 1
117 . 1 . 1 11 11 TRP HD1 H 1 6.770 0.003 . 1 . . . . . 11 TRP HD1 . 52965 1
118 . 1 . 1 11 11 TRP HE1 H 1 9.982 0.002 . 1 . . . . . 11 TRP HE1 . 52965 1
119 . 1 . 1 11 11 TRP HE3 H 1 5.364 0.003 . 1 . . . . . 11 TRP HE3 . 52965 1
120 . 1 . 1 11 11 TRP HZ2 H 1 7.379 0.001 . 1 . . . . . 11 TRP HZ2 . 52965 1
121 . 1 . 1 11 11 TRP HZ3 H 1 6.615 0.003 . 1 . . . . . 11 TRP HZ3 . 52965 1
122 . 1 . 1 11 11 TRP HH2 H 1 7.093 0.003 . 1 . . . . . 11 TRP HH2 . 52965 1
123 . 1 . 1 11 11 TRP CA C 13 56.943 0.000 . 1 . . . . . 11 TRP CA . 52965 1
124 . 1 . 1 11 11 TRP CB C 13 28.485 0.012 . 1 . . . . . 11 TRP CB . 52965 1
125 . 1 . 1 11 11 TRP CD1 C 13 127.797 0.000 . 1 . . . . . 11 TRP CD1 . 52965 1
126 . 1 . 1 11 11 TRP CE3 C 13 120.806 0.000 . 1 . . . . . 11 TRP CE3 . 52965 1
127 . 1 . 1 11 11 TRP CZ2 C 13 114.786 0.000 . 1 . . . . . 11 TRP CZ2 . 52965 1
128 . 1 . 1 11 11 TRP CZ3 C 13 120.537 0.000 . 1 . . . . . 11 TRP CZ3 . 52965 1
129 . 1 . 1 11 11 TRP CH2 C 13 124.003 0.000 . 1 . . . . . 11 TRP CH2 . 52965 1
130 . 1 . 1 11 11 TRP N N 15 128.821 0.000 . 1 . . . . . 11 TRP N . 52965 1
131 . 1 . 1 11 11 TRP NE1 N 15 129.919 0.000 . 1 . . . . . 11 TRP NE1 . 52965 1
132 . 1 . 1 12 12 LYS H H 1 7.568 0.002 . 1 . . . . . 12 LYS H . 52965 1
133 . 1 . 1 12 12 LYS HA H 1 4.129 0.006 . 1 . . . . . 12 LYS HA . 52965 1
134 . 1 . 1 12 12 LYS HB2 H 1 1.458 0.012 . 2 . . . . . 12 LYS HB2 . 52965 1
135 . 1 . 1 12 12 LYS HB3 H 1 1.319 0.000 . 2 . . . . . 12 LYS HB3 . 52965 1
136 . 1 . 1 12 12 LYS HG2 H 1 1.180 0.005 . 2 . . . . . 12 LYS HG2 . 52965 1
137 . 1 . 1 12 12 LYS HG3 H 1 1.099 0.002 . 2 . . . . . 12 LYS HG3 . 52965 1
138 . 1 . 1 12 12 LYS HD2 H 1 1.405 0.080 . 2 . . . . . 12 LYS HD2 . 52965 1
139 . 1 . 1 12 12 LYS HE2 H 1 2.816 0.003 . 2 . . . . . 12 LYS HE2 . 52965 1
140 . 1 . 1 12 12 LYS HE3 H 1 2.772 0.000 . 2 . . . . . 12 LYS HE3 . 52965 1
141 . 1 . 1 12 12 LYS CA C 13 54.188 0.000 . 1 . . . . . 12 LYS CA . 52965 1
142 . 1 . 1 12 12 LYS CB C 13 33.450 0.002 . 1 . . . . . 12 LYS CB . 52965 1
143 . 1 . 1 12 12 LYS CG C 13 24.318 0.002 . 1 . . . . . 12 LYS CG . 52965 1
144 . 1 . 1 12 12 LYS CD C 13 28.632 0.000 . 1 . . . . . 12 LYS CD . 52965 1
145 . 1 . 1 12 12 LYS CE C 13 41.963 0.001 . 1 . . . . . 12 LYS CE . 52965 1
146 . 1 . 1 12 12 LYS N N 15 128.397 0.000 . 1 . . . . . 12 LYS N . 52965 1
147 . 1 . 1 13 13 NH2 HN1 H 1 7.295 0.000 . 2 . . . . . 13 NH2 H1 . 52965 1
148 . 1 . 1 13 13 NH2 HN2 H 1 6.623 0.000 . 2 . . . . . 13 NH2 H2 . 52965 1
149 . 1 . 1 13 13 NH2 N N 15 109.553 0.006 . 1 . . . . . 13 NH2 N . 52965 1
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