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 52990
_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' . . . 52990 1
2 '2D 1H-15N HSQC' . . . 52990 1
3 '2D 1H-13C HSQC aliphatic' . . . 52990 1
4 '2D 1H-13C HSQC aromatic' . . . 52990 1
5 '2D 1H-1H TOCSY' . . . 52990 1
6 '2D 1H-1H COSY' . . . 52990 1
7 '2D 1H-1H NOESY' . . . 52990 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 . . 52990 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 3.577 0.000 . 1 . . . . . 1 SER HA . 52990 1
2 . 1 . 1 1 1 SER HB2 H 1 3.808 0.000 . 2 . . . . . 1 SER HB2 . 52990 1
3 . 1 . 1 1 1 SER CA C 13 57.383 0.000 . 1 . . . . . 1 SER CA . 52990 1
4 . 1 . 1 1 1 SER CB C 13 62.588 0.000 . 1 . . . . . 1 SER CB . 52990 1
5 . 1 . 1 2 2 TRP H H 1 8.824 0.002 . 1 . . . . . 2 TRP H . 52990 1
6 . 1 . 1 2 2 TRP HA H 1 5.082 0.004 . 1 . . . . . 2 TRP HA . 52990 1
7 . 1 . 1 2 2 TRP HB2 H 1 2.937 0.001 . 2 . . . . . 2 TRP HB2 . 52990 1
8 . 1 . 1 2 2 TRP HB3 H 1 2.765 0.000 . 2 . . . . . 2 TRP HB3 . 52990 1
9 . 1 . 1 2 2 TRP HD1 H 1 7.380 0.002 . 1 . . . . . 2 TRP HD1 . 52990 1
10 . 1 . 1 2 2 TRP HE1 H 1 10.262 0.001 . 1 . . . . . 2 TRP HE1 . 52990 1
11 . 1 . 1 2 2 TRP HE3 H 1 7.172 0.001 . 1 . . . . . 2 TRP HE3 . 52990 1
12 . 1 . 1 2 2 TRP HZ2 H 1 7.408 0.002 . 1 . . . . . 2 TRP HZ2 . 52990 1
13 . 1 . 1 2 2 TRP HZ3 H 1 7.157 0.003 . 1 . . . . . 2 TRP HZ3 . 52990 1
14 . 1 . 1 2 2 TRP HH2 H 1 7.265 0.002 . 1 . . . . . 2 TRP HH2 . 52990 1
15 . 1 . 1 2 2 TRP CA C 13 57.244 0.000 . 1 . . . . . 2 TRP CA . 52990 1
16 . 1 . 1 2 2 TRP CB C 13 30.810 0.001 . 1 . . . . . 2 TRP CB . 52990 1
17 . 1 . 1 2 2 TRP CD1 C 13 124.976 0.000 . 1 . . . . . 2 TRP CD1 . 52990 1
18 . 1 . 1 2 2 TRP CE3 C 13 117.581 0.000 . 1 . . . . . 2 TRP CE3 . 52990 1
19 . 1 . 1 2 2 TRP CZ2 C 13 112.158 0.000 . 1 . . . . . 2 TRP CZ2 . 52990 1
20 . 1 . 1 2 2 TRP CZ3 C 13 119.714 0.181 . 1 . . . . . 2 TRP CZ3 . 52990 1
21 . 1 . 1 2 2 TRP CH2 C 13 122.108 0.000 . 1 . . . . . 2 TRP CH2 . 52990 1
22 . 1 . 1 2 2 TRP N N 15 122.965 0.000 . 1 . . . . . 2 TRP N . 52990 1
23 . 1 . 1 2 2 TRP NE1 N 15 129.738 0.000 . 1 . . . . . 2 TRP NE1 . 52990 1
24 . 1 . 1 3 3 THR H H 1 9.286 0.002 . 1 . . . . . 3 THR H . 52990 1
25 . 1 . 1 3 3 THR HA H 1 4.744 0.003 . 1 . . . . . 3 THR HA . 52990 1
26 . 1 . 1 3 3 THR HB H 1 3.990 0.003 . 1 . . . . . 3 THR HB . 52990 1
27 . 1 . 1 3 3 THR HG21 H 1 1.073 0.001 . 1 . . . . . 3 THR HG2 . 52990 1
28 . 1 . 1 3 3 THR HG22 H 1 1.073 0.001 . 1 . . . . . 3 THR HG2 . 52990 1
29 . 1 . 1 3 3 THR HG23 H 1 1.073 0.001 . 1 . . . . . 3 THR HG2 . 52990 1
30 . 1 . 1 3 3 THR CB C 13 71.613 0.000 . 1 . . . . . 3 THR CB . 52990 1
31 . 1 . 1 3 3 THR CG2 C 13 20.646 0.000 . 1 . . . . . 3 THR CG2 . 52990 1
32 . 1 . 1 3 3 THR N N 15 118.106 0.000 . 1 . . . . . 3 THR N . 52990 1
33 . 1 . 1 4 4 TRP H H 1 8.692 0.001 . 1 . . . . . 4 TRP H . 52990 1
34 . 1 . 1 4 4 TRP HA H 1 4.749 0.007 . 1 . . . . . 4 TRP HA . 52990 1
35 . 1 . 1 4 4 TRP HB2 H 1 3.035 0.000 . 2 . . . . . 4 TRP HB2 . 52990 1
36 . 1 . 1 4 4 TRP HB3 H 1 2.368 0.001 . 2 . . . . . 4 TRP HB3 . 52990 1
37 . 1 . 1 4 4 TRP HD1 H 1 6.994 0.001 . 1 . . . . . 4 TRP HD1 . 52990 1
38 . 1 . 1 4 4 TRP HE1 H 1 9.940 0.001 . 1 . . . . . 4 TRP HE1 . 52990 1
39 . 1 . 1 4 4 TRP HE3 H 1 6.054 0.002 . 1 . . . . . 4 TRP HE3 . 52990 1
40 . 1 . 1 4 4 TRP HZ2 H 1 7.217 0.002 . 1 . . . . . 4 TRP HZ2 . 52990 1
41 . 1 . 1 4 4 TRP HZ3 H 1 6.656 0.001 . 1 . . . . . 4 TRP HZ3 . 52990 1
42 . 1 . 1 4 4 TRP HH2 H 1 6.997 0.002 . 1 . . . . . 4 TRP HH2 . 52990 1
43 . 1 . 1 4 4 TRP CB C 13 29.081 0.003 . 1 . . . . . 4 TRP CB . 52990 1
44 . 1 . 1 4 4 TRP CD1 C 13 124.702 0.000 . 1 . . . . . 4 TRP CD1 . 52990 1
45 . 1 . 1 4 4 TRP CE3 C 13 117.095 0.000 . 1 . . . . . 4 TRP CE3 . 52990 1
46 . 1 . 1 4 4 TRP CZ2 C 13 111.322 0.000 . 1 . . . . . 4 TRP CZ2 . 52990 1
47 . 1 . 1 4 4 TRP CZ3 C 13 119.070 0.000 . 1 . . . . . 4 TRP CZ3 . 52990 1
48 . 1 . 1 4 4 TRP CH2 C 13 122.045 0.000 . 1 . . . . . 4 TRP CH2 . 52990 1
49 . 1 . 1 4 4 TRP N N 15 127.674 0.000 . 1 . . . . . 4 TRP N . 52990 1
50 . 1 . 1 4 4 TRP NE1 N 15 128.617 0.000 . 1 . . . . . 4 TRP NE1 . 52990 1
51 . 1 . 1 5 5 GLU H H 1 8.605 0.002 . 1 . . . . . 5 GLU H . 52990 1
52 . 1 . 1 5 5 GLU HA H 1 4.440 0.001 . 1 . . . . . 5 GLU HA . 52990 1
53 . 1 . 1 5 5 GLU HB2 H 1 1.964 0.001 . 2 . . . . . 5 GLU HB2 . 52990 1
54 . 1 . 1 5 5 GLU HB3 H 1 1.807 0.002 . 2 . . . . . 5 GLU HB3 . 52990 1
55 . 1 . 1 5 5 GLU HG2 H 1 2.266 0.006 . 2 . . . . . 5 GLU HG2 . 52990 1
56 . 1 . 1 5 5 GLU HG3 H 1 2.213 0.005 . 2 . . . . . 5 GLU HG3 . 52990 1
57 . 1 . 1 5 5 GLU CA C 13 55.124 0.000 . 1 . . . . . 5 GLU CA . 52990 1
58 . 1 . 1 5 5 GLU CB C 13 31.083 0.005 . 1 . . . . . 5 GLU CB . 52990 1
59 . 1 . 1 5 5 GLU CG C 13 33.434 0.001 . 1 . . . . . 5 GLU CG . 52990 1
60 . 1 . 1 5 5 GLU N N 15 126.182 0.000 . 1 . . . . . 5 GLU N . 52990 1
61 . 1 . 1 6 6 ASN H H 1 9.208 0.001 . 1 . . . . . 6 ASN H . 52990 1
62 . 1 . 1 6 6 ASN HA H 1 4.224 0.001 . 1 . . . . . 6 ASN HA . 52990 1
63 . 1 . 1 6 6 ASN HB2 H 1 2.944 0.001 . 2 . . . . . 6 ASN HB2 . 52990 1
64 . 1 . 1 6 6 ASN HB3 H 1 2.656 0.001 . 2 . . . . . 6 ASN HB3 . 52990 1
65 . 1 . 1 6 6 ASN HD21 H 1 7.588 0.000 . 2 . . . . . 6 ASN HD21 . 52990 1
66 . 1 . 1 6 6 ASN HD22 H 1 6.893 0.000 . 2 . . . . . 6 ASN HD22 . 52990 1
67 . 1 . 1 6 6 ASN CA C 13 54.192 0.000 . 1 . . . . . 6 ASN CA . 52990 1
68 . 1 . 1 6 6 ASN CB C 13 37.537 0.005 . 1 . . . . . 6 ASN CB . 52990 1
69 . 1 . 1 6 6 ASN N N 15 123.347 0.000 . 1 . . . . . 6 ASN N . 52990 1
70 . 1 . 1 6 6 ASN ND2 N 15 113.156 0.003 . 1 . . . . . 6 ASN ND2 . 52990 1
71 . 1 . 1 7 7 GLY H H 1 7.807 0.001 . 1 . . . . . 7 GLY H . 52990 1
72 . 1 . 1 7 7 GLY HA2 H 1 3.907 0.005 . 2 . . . . . 7 GLY HA2 . 52990 1
73 . 1 . 1 7 7 GLY HA3 H 1 3.333 0.000 . 2 . . . . . 7 GLY HA3 . 52990 1
74 . 1 . 1 7 7 GLY CA C 13 45.811 0.001 . 1 . . . . . 7 GLY CA . 52990 1
75 . 1 . 1 7 7 GLY N N 15 102.240 0.000 . 1 . . . . . 7 GLY N . 52990 1
76 . 1 . 1 8 8 LYS H H 1 7.112 0.001 . 1 . . . . . 8 LYS H . 52990 1
77 . 1 . 1 8 8 LYS HA H 1 4.414 0.003 . 1 . . . . . 8 LYS HA . 52990 1
78 . 1 . 1 8 8 LYS HB2 H 1 1.741 0.001 . 2 . . . . . 8 LYS HB2 . 52990 1
79 . 1 . 1 8 8 LYS HB3 H 1 1.680 0.001 . 2 . . . . . 8 LYS HB3 . 52990 1
80 . 1 . 1 8 8 LYS HG3 H 1 1.291 0.001 . 2 . . . . . 8 LYS HG3 . 52990 1
81 . 1 . 1 8 8 LYS HD2 H 1 1.668 0.008 . 2 . . . . . 8 LYS HD2 . 52990 1
82 . 1 . 1 8 8 LYS HE2 H 1 3.021 0.001 . 2 . . . . . 8 LYS HE2 . 52990 1
83 . 1 . 1 8 8 LYS CA C 13 54.710 0.000 . 1 . . . . . 8 LYS CA . 52990 1
84 . 1 . 1 8 8 LYS CB C 13 35.383 0.004 . 1 . . . . . 8 LYS CB . 52990 1
85 . 1 . 1 8 8 LYS CG C 13 23.725 0.000 . 1 . . . . . 8 LYS CG . 52990 1
86 . 1 . 1 8 8 LYS CD C 13 29.075 0.000 . 1 . . . . . 8 LYS CD . 52990 1
87 . 1 . 1 8 8 LYS CE C 13 42.277 0.000 . 1 . . . . . 8 LYS CE . 52990 1
88 . 1 . 1 8 8 LYS N N 15 117.955 0.000 . 1 . . . . . 8 LYS N . 52990 1
89 . 1 . 1 9 9 F7W H H 1 8.724 0.001 . 1 . . . . . 9 F7W H . 52990 1
90 . 1 . 1 9 9 F7W HA H 1 4.976 0.002 . 1 . . . . . 9 F7W HA . 52990 1
91 . 1 . 1 9 9 F7W HB2 H 1 3.166 0.001 . 2 . . . . . 9 F7W HB2 . 52990 1
92 . 1 . 1 9 9 F7W HB3 H 1 2.749 0.004 . 2 . . . . . 9 F7W HB3 . 52990 1
93 . 1 . 1 9 9 F7W HD1 H 1 7.110 0.001 . 1 . . . . . 9 F7W HD1 . 52990 1
94 . 1 . 1 9 9 F7W HE1 H 1 10.153 0.001 . 1 . . . . . 9 F7W HE1 . 52990 1
95 . 1 . 1 9 9 F7W HE3 H 1 6.650 0.002 . 1 . . . . . 9 F7W HE3 . 52990 1
96 . 1 . 1 9 9 F7W HZ3 H 1 6.883 0.001 . 1 . . . . . 9 F7W HZ3 . 52990 1
97 . 1 . 1 9 9 F7W HH2 H 1 6.878 0.000 . 1 . . . . . 9 F7W HH2 . 52990 1
98 . 1 . 1 9 9 F7W CA C 13 57.244 0.000 . 1 . . . . . 9 F7W CA . 52990 1
99 . 1 . 1 9 9 F7W CB C 13 29.586 0.007 . 1 . . . . . 9 F7W CB . 52990 1
100 . 1 . 1 9 9 F7W CD1 C 13 126.010 0.000 . 1 . . . . . 9 F7W CD1 . 52990 1
101 . 1 . 1 9 9 F7W CE3 C 13 113.375 0.000 . 1 . . . . . 9 F7W CE3 . 52990 1
102 . 1 . 1 9 9 F7W CH2 C 13 106.536 0.000 . 1 . . . . . 9 F7W CH2 . 52990 1
103 . 1 . 1 9 9 F7W N N 15 125.462 0.000 . 1 . . . . . 9 F7W N . 52990 1
104 . 1 . 1 9 9 F7W NE1 N 15 123.697 0.000 . 1 . . . . . 9 F7W NE1 . 52990 1
105 . 1 . 1 10 10 THR H H 1 9.607 0.003 . 1 . . . . . 10 THR H . 52990 1
106 . 1 . 1 10 10 THR HA H 1 4.829 0.001 . 1 . . . . . 10 THR HA . 52990 1
107 . 1 . 1 10 10 THR HB H 1 3.977 0.000 . 1 . . . . . 10 THR HB . 52990 1
108 . 1 . 1 10 10 THR HG21 H 1 1.157 0.001 . 1 . . . . . 10 THR HG2 . 52990 1
109 . 1 . 1 10 10 THR HG22 H 1 1.157 0.001 . 1 . . . . . 10 THR HG2 . 52990 1
110 . 1 . 1 10 10 THR HG23 H 1 1.157 0.001 . 1 . . . . . 10 THR HG2 . 52990 1
111 . 1 . 1 10 10 THR CB C 13 72.106 0.000 . 1 . . . . . 10 THR CB . 52990 1
112 . 1 . 1 10 10 THR CG2 C 13 20.643 0.000 . 1 . . . . . 10 THR CG2 . 52990 1
113 . 1 . 1 10 10 THR N N 15 122.589 0.000 . 1 . . . . . 10 THR N . 52990 1
114 . 1 . 1 11 11 TRP H H 1 8.875 0.001 . 1 . . . . . 11 TRP H . 52990 1
115 . 1 . 1 11 11 TRP HA H 1 4.163 0.001 . 1 . . . . . 11 TRP HA . 52990 1
116 . 1 . 1 11 11 TRP HB2 H 1 2.707 0.000 . 2 . . . . . 11 TRP HB2 . 52990 1
117 . 1 . 1 11 11 TRP HB3 H 1 1.983 0.002 . 2 . . . . . 11 TRP HB3 . 52990 1
118 . 1 . 1 11 11 TRP HD1 H 1 6.780 0.002 . 1 . . . . . 11 TRP HD1 . 52990 1
119 . 1 . 1 11 11 TRP HE1 H 1 9.986 0.001 . 1 . . . . . 11 TRP HE1 . 52990 1
120 . 1 . 1 11 11 TRP HE3 H 1 5.359 0.003 . 1 . . . . . 11 TRP HE3 . 52990 1
121 . 1 . 1 11 11 TRP HZ2 H 1 7.381 0.002 . 1 . . . . . 11 TRP HZ2 . 52990 1
122 . 1 . 1 11 11 TRP HZ3 H 1 6.607 0.001 . 1 . . . . . 11 TRP HZ3 . 52990 1
123 . 1 . 1 11 11 TRP HH2 H 1 7.094 0.002 . 1 . . . . . 11 TRP HH2 . 52990 1
124 . 1 . 1 11 11 TRP CA C 13 57.041 0.000 . 1 . . . . . 11 TRP CA . 52990 1
125 . 1 . 1 11 11 TRP CB C 13 28.513 0.002 . 1 . . . . . 11 TRP CB . 52990 1
126 . 1 . 1 11 11 TRP CD1 C 13 125.163 0.000 . 1 . . . . . 11 TRP CD1 . 52990 1
127 . 1 . 1 11 11 TRP CE3 C 13 118.139 0.000 . 1 . . . . . 11 TRP CE3 . 52990 1
128 . 1 . 1 11 11 TRP CZ2 C 13 111.978 0.000 . 1 . . . . . 11 TRP CZ2 . 52990 1
129 . 1 . 1 11 11 TRP CZ3 C 13 117.801 0.000 . 1 . . . . . 11 TRP CZ3 . 52990 1
130 . 1 . 1 11 11 TRP CH2 C 13 121.342 0.000 . 1 . . . . . 11 TRP CH2 . 52990 1
131 . 1 . 1 11 11 TRP N N 15 128.973 0.000 . 1 . . . . . 11 TRP N . 52990 1
132 . 1 . 1 11 11 TRP NE1 N 15 129.916 0.000 . 1 . . . . . 11 TRP NE1 . 52990 1
133 . 1 . 1 12 12 LYS H H 1 7.576 0.001 . 1 . . . . . 12 LYS H . 52990 1
134 . 1 . 1 12 12 LYS HA H 1 4.103 0.015 . 1 . . . . . 12 LYS HA . 52990 1
135 . 1 . 1 12 12 LYS HB2 H 1 1.444 0.001 . 2 . . . . . 12 LYS HB2 . 52990 1
136 . 1 . 1 12 12 LYS HB3 H 1 1.317 0.000 . 2 . . . . . 12 LYS HB3 . 52990 1
137 . 1 . 1 12 12 LYS HG2 H 1 1.176 0.000 . 2 . . . . . 12 LYS HG2 . 52990 1
138 . 1 . 1 12 12 LYS HG3 H 1 1.098 0.000 . 2 . . . . . 12 LYS HG3 . 52990 1
139 . 1 . 1 12 12 LYS HD2 H 1 1.488 0.004 . 2 . . . . . 12 LYS HD2 . 52990 1
140 . 1 . 1 12 12 LYS HE2 H 1 2.814 0.000 . 2 . . . . . 12 LYS HE2 . 52990 1
141 . 1 . 1 12 12 LYS CA C 13 54.353 0.000 . 1 . . . . . 12 LYS CA . 52990 1
142 . 1 . 1 12 12 LYS CB C 13 33.549 0.004 . 1 . . . . . 12 LYS CB . 52990 1
143 . 1 . 1 12 12 LYS CG C 13 24.331 0.003 . 1 . . . . . 12 LYS CG . 52990 1
144 . 1 . 1 12 12 LYS CD C 13 28.754 0.000 . 1 . . . . . 12 LYS CD . 52990 1
145 . 1 . 1 12 12 LYS CE C 13 41.985 0.000 . 1 . . . . . 12 LYS CE . 52990 1
146 . 1 . 1 12 12 LYS N N 15 128.626 0.000 . 1 . . . . . 12 LYS N . 52990 1
147 . 1 . 1 13 13 NH2 HN1 H 1 7.317 0.000 . 2 . . . . . 13 NH2 H1 . 52990 1
148 . 1 . 1 13 13 NH2 HN2 H 1 6.643 0.000 . 2 . . . . . 13 NH2 H2 . 52990 1
149 . 1 . 1 13 13 NH2 N N 15 109.830 0.009 . 1 . . . . . 13 NH2 N . 52990 1
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