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 52989
_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' . . . 52989 1
2 '2D 1H-15N HSQC' . . . 52989 1
3 '2D 1H-13C HSQC aliphatic' . . . 52989 1
4 '2D 1H-13C HSQC aromatic' . . . 52989 1
5 '2D 1H-1H TOCSY' . . . 52989 1
6 '2D 1H-1H COSY' . . . 52989 1
7 '2D 1H-1H NOESY' . . . 52989 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 . . 52989 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 3.579 0.000 . 1 . . . . . 1 SER HA . 52989 1
2 . 1 . 1 1 1 SER HB2 H 1 3.817 0.000 . 2 . . . . . 1 SER HB2 . 52989 1
3 . 1 . 1 1 1 SER CA C 13 57.307 0.000 . 1 . . . . . 1 SER CA . 52989 1
4 . 1 . 1 1 1 SER CB C 13 62.502 0.000 . 1 . . . . . 1 SER CB . 52989 1
5 . 1 . 1 2 2 TRP H H 1 8.856 0.001 . 1 . . . . . 2 TRP H . 52989 1
6 . 1 . 1 2 2 TRP HA H 1 5.140 0.003 . 1 . . . . . 2 TRP HA . 52989 1
7 . 1 . 1 2 2 TRP HB2 H 1 2.991 0.001 . 2 . . . . . 2 TRP HB2 . 52989 1
8 . 1 . 1 2 2 TRP HB3 H 1 2.990 0.002 . 2 . . . . . 2 TRP HB3 . 52989 1
9 . 1 . 1 2 2 TRP HD1 H 1 7.383 0.001 . 1 . . . . . 2 TRP HD1 . 52989 1
10 . 1 . 1 2 2 TRP HE1 H 1 10.265 0.002 . 1 . . . . . 2 TRP HE1 . 52989 1
11 . 1 . 1 2 2 TRP HE3 H 1 7.327 0.001 . 1 . . . . . 2 TRP HE3 . 52989 1
12 . 1 . 1 2 2 TRP HZ2 H 1 7.411 0.008 . 1 . . . . . 2 TRP HZ2 . 52989 1
13 . 1 . 1 2 2 TRP HZ3 H 1 7.197 0.002 . 1 . . . . . 2 TRP HZ3 . 52989 1
14 . 1 . 1 2 2 TRP HH2 H 1 7.275 0.001 . 1 . . . . . 2 TRP HH2 . 52989 1
15 . 1 . 1 2 2 TRP CA C 13 57.289 0.000 . 1 . . . . . 2 TRP CA . 52989 1
16 . 1 . 1 2 2 TRP CB C 13 31.131 0.000 . 1 . . . . . 2 TRP CB . 52989 1
17 . 1 . 1 2 2 TRP CD1 C 13 127.673 0.000 . 1 . . . . . 2 TRP CD1 . 52989 1
18 . 1 . 1 2 2 TRP CE3 C 13 120.236 0.000 . 1 . . . . . 2 TRP CE3 . 52989 1
19 . 1 . 1 2 2 TRP CZ2 C 13 115.063 0.000 . 1 . . . . . 2 TRP CZ2 . 52989 1
20 . 1 . 1 2 2 TRP CZ3 C 13 122.600 0.000 . 1 . . . . . 2 TRP CZ3 . 52989 1
21 . 1 . 1 2 2 TRP CH2 C 13 124.793 0.000 . 1 . . . . . 2 TRP CH2 . 52989 1
22 . 1 . 1 2 2 TRP N N 15 123.181 0.000 . 1 . . . . . 2 TRP N . 52989 1
23 . 1 . 1 2 2 TRP NE1 N 15 129.830 0.000 . 1 . . . . . 2 TRP NE1 . 52989 1
24 . 1 . 1 3 3 THR H H 1 9.382 0.002 . 1 . . . . . 3 THR H . 52989 1
25 . 1 . 1 3 3 THR HA H 1 4.818 0.002 . 1 . . . . . 3 THR HA . 52989 1
26 . 1 . 1 3 3 THR HB H 1 3.989 0.001 . 1 . . . . . 3 THR HB . 52989 1
27 . 1 . 1 3 3 THR HG21 H 1 1.096 0.002 . 1 . . . . . 3 THR HG2 . 52989 1
28 . 1 . 1 3 3 THR HG22 H 1 1.096 0.002 . 1 . . . . . 3 THR HG2 . 52989 1
29 . 1 . 1 3 3 THR HG23 H 1 1.096 0.002 . 1 . . . . . 3 THR HG2 . 52989 1
30 . 1 . 1 3 3 THR CB C 13 71.550 0.000 . 1 . . . . . 3 THR CB . 52989 1
31 . 1 . 1 3 3 THR CG2 C 13 20.897 0.000 . 1 . . . . . 3 THR CG2 . 52989 1
32 . 1 . 1 3 3 THR N N 15 118.463 0.000 . 1 . . . . . 3 THR N . 52989 1
33 . 1 . 1 4 4 FTR H H 1 8.670 0.001 . 1 . . . . . 4 FTR H . 52989 1
34 . 1 . 1 4 4 FTR HA H 1 4.648 0.003 . 1 . . . . . 4 FTR HA . 52989 1
35 . 1 . 1 4 4 FTR HB2 H 1 2.851 0.001 . 2 . . . . . 4 FTR HB2 . 52989 1
36 . 1 . 1 4 4 FTR HB3 H 1 1.947 0.001 . 2 . . . . . 4 FTR HB3 . 52989 1
37 . 1 . 1 4 4 FTR HD1 H 1 6.931 0.003 . 1 . . . . . 4 FTR HD1 . 52989 1
38 . 1 . 1 4 4 FTR HE1 H 1 10.013 0.000 . 1 . . . . . 4 FTR HE1 . 52989 1
39 . 1 . 1 4 4 FTR HE3 H 1 5.614 0.003 . 1 . . . . . 4 FTR HE3 . 52989 1
40 . 1 . 1 4 4 FTR HZ2 H 1 7.211 0.001 . 1 . . . . . 4 FTR HZ2 . 52989 1
41 . 1 . 1 4 4 FTR HH2 H 1 6.774 0.002 . 1 . . . . . 4 FTR HH2 . 52989 1
42 . 1 . 1 4 4 FTR CA C 13 56.279 0.000 . 1 . . . . . 4 FTR CA . 52989 1
43 . 1 . 1 4 4 FTR CB C 13 28.637 0.012 . 1 . . . . . 4 FTR CB . 52989 1
44 . 1 . 1 4 4 FTR CD1 C 13 129.480 0.000 . 1 . . . . . 4 FTR CD1 . 52989 1
45 . 1 . 1 4 4 FTR CE3 C 13 104.881 0.000 . 1 . . . . . 4 FTR CE3 . 52989 1
46 . 1 . 1 4 4 FTR CZ2 C 13 114.831 0.000 . 1 . . . . . 4 FTR CZ2 . 52989 1
47 . 1 . 1 4 4 FTR CH2 C 13 112.928 0.000 . 1 . . . . . 4 FTR CH2 . 52989 1
48 . 1 . 1 4 4 FTR N N 15 128.616 0.000 . 1 . . . . . 4 FTR N . 52989 1
49 . 1 . 1 4 4 FTR NE1 N 15 128.755 0.000 . 1 . . . . . 4 FTR NE1 . 52989 1
50 . 1 . 1 5 5 GLU H H 1 8.518 0.001 . 1 . . . . . 5 GLU H . 52989 1
51 . 1 . 1 5 5 GLU HA H 1 4.340 0.001 . 1 . . . . . 5 GLU HA . 52989 1
52 . 1 . 1 5 5 GLU HB2 H 1 1.942 0.002 . 2 . . . . . 5 GLU HB2 . 52989 1
53 . 1 . 1 5 5 GLU HB3 H 1 1.793 0.002 . 2 . . . . . 5 GLU HB3 . 52989 1
54 . 1 . 1 5 5 GLU HG2 H 1 2.253 0.003 . 2 . . . . . 5 GLU HG2 . 52989 1
55 . 1 . 1 5 5 GLU HG3 H 1 2.213 0.003 . 2 . . . . . 5 GLU HG3 . 52989 1
56 . 1 . 1 5 5 GLU CA C 13 54.999 0.000 . 1 . . . . . 5 GLU CA . 52989 1
57 . 1 . 1 5 5 GLU CB C 13 31.014 0.002 . 1 . . . . . 5 GLU CB . 52989 1
58 . 1 . 1 5 5 GLU CG C 13 33.079 0.000 . 1 . . . . . 5 GLU CG . 52989 1
59 . 1 . 1 5 5 GLU N N 15 126.119 0.000 . 1 . . . . . 5 GLU N . 52989 1
60 . 1 . 1 6 6 ASN H H 1 9.111 0.000 . 1 . . . . . 6 ASN H . 52989 1
61 . 1 . 1 6 6 ASN HA H 1 4.188 0.001 . 1 . . . . . 6 ASN HA . 52989 1
62 . 1 . 1 6 6 ASN HB2 H 1 2.914 0.000 . 2 . . . . . 6 ASN HB2 . 52989 1
63 . 1 . 1 6 6 ASN HB3 H 1 2.632 0.003 . 2 . . . . . 6 ASN HB3 . 52989 1
64 . 1 . 1 6 6 ASN HD21 H 1 7.567 0.000 . 2 . . . . . 6 ASN HD21 . 52989 1
65 . 1 . 1 6 6 ASN HD22 H 1 6.877 0.000 . 2 . . . . . 6 ASN HD22 . 52989 1
66 . 1 . 1 6 6 ASN CA C 13 54.080 0.000 . 1 . . . . . 6 ASN CA . 52989 1
67 . 1 . 1 6 6 ASN CB C 13 37.552 0.003 . 1 . . . . . 6 ASN CB . 52989 1
68 . 1 . 1 6 6 ASN N N 15 122.517 0.000 . 1 . . . . . 6 ASN N . 52989 1
69 . 1 . 1 6 6 ASN ND2 N 15 113.102 0.003 . 1 . . . . . 6 ASN ND2 . 52989 1
70 . 1 . 1 7 7 GLY H H 1 7.709 0.001 . 1 . . . . . 7 GLY H . 52989 1
71 . 1 . 1 7 7 GLY HA2 H 1 3.839 0.001 . 2 . . . . . 7 GLY HA2 . 52989 1
72 . 1 . 1 7 7 GLY HA3 H 1 3.193 0.001 . 2 . . . . . 7 GLY HA3 . 52989 1
73 . 1 . 1 7 7 GLY CA C 13 45.764 0.001 . 1 . . . . . 7 GLY CA . 52989 1
74 . 1 . 1 7 7 GLY N N 15 102.294 0.000 . 1 . . . . . 7 GLY N . 52989 1
75 . 1 . 1 8 8 LYS H H 1 7.071 0.002 . 1 . . . . . 8 LYS H . 52989 1
76 . 1 . 1 8 8 LYS HA H 1 4.515 0.002 . 1 . . . . . 8 LYS HA . 52989 1
77 . 1 . 1 8 8 LYS HB2 H 1 1.753 0.002 . 2 . . . . . 8 LYS HB2 . 52989 1
78 . 1 . 1 8 8 LYS HB3 H 1 1.676 0.001 . 2 . . . . . 8 LYS HB3 . 52989 1
79 . 1 . 1 8 8 LYS HG2 H 1 1.313 0.006 . 2 . . . . . 8 LYS HG2 . 52989 1
80 . 1 . 1 8 8 LYS HG3 H 1 1.275 0.002 . 2 . . . . . 8 LYS HG3 . 52989 1
81 . 1 . 1 8 8 LYS HD2 H 1 1.674 0.003 . 2 . . . . . 8 LYS HD2 . 52989 1
82 . 1 . 1 8 8 LYS HE2 H 1 3.014 0.001 . 2 . . . . . 8 LYS HE2 . 52989 1
83 . 1 . 1 8 8 LYS CA C 13 54.590 0.000 . 1 . . . . . 8 LYS CA . 52989 1
84 . 1 . 1 8 8 LYS CB C 13 35.733 0.002 . 1 . . . . . 8 LYS CB . 52989 1
85 . 1 . 1 8 8 LYS CG C 13 23.795 0.007 . 1 . . . . . 8 LYS CG . 52989 1
86 . 1 . 1 8 8 LYS CD C 13 29.197 0.000 . 1 . . . . . 8 LYS CD . 52989 1
87 . 1 . 1 8 8 LYS CE C 13 42.281 0.000 . 1 . . . . . 8 LYS CE . 52989 1
88 . 1 . 1 8 8 LYS N N 15 117.831 0.000 . 1 . . . . . 8 LYS N . 52989 1
89 . 1 . 1 9 9 TRP H H 1 8.774 0.001 . 1 . . . . . 9 TRP H . 52989 1
90 . 1 . 1 9 9 TRP HA H 1 5.139 0.003 . 1 . . . . . 9 TRP HA . 52989 1
91 . 1 . 1 9 9 TRP HB2 H 1 3.230 0.001 . 2 . . . . . 9 TRP HB2 . 52989 1
92 . 1 . 1 9 9 TRP HB3 H 1 2.931 0.002 . 2 . . . . . 9 TRP HB3 . 52989 1
93 . 1 . 1 9 9 TRP HD1 H 1 7.195 0.002 . 1 . . . . . 9 TRP HD1 . 52989 1
94 . 1 . 1 9 9 TRP HE1 H 1 9.808 0.001 . 1 . . . . . 9 TRP HE1 . 52989 1
95 . 1 . 1 9 9 TRP HE3 H 1 7.096 0.001 . 1 . . . . . 9 TRP HE3 . 52989 1
96 . 1 . 1 9 9 TRP HZ2 H 1 7.222 0.006 . 1 . . . . . 9 TRP HZ2 . 52989 1
97 . 1 . 1 9 9 TRP HZ3 H 1 7.004 0.001 . 1 . . . . . 9 TRP HZ3 . 52989 1
98 . 1 . 1 9 9 TRP HH2 H 1 7.156 0.002 . 1 . . . . . 9 TRP HH2 . 52989 1
99 . 1 . 1 9 9 TRP CA C 13 57.289 0.000 . 1 . . . . . 9 TRP CA . 52989 1
100 . 1 . 1 9 9 TRP CB C 13 29.825 0.001 . 1 . . . . . 9 TRP CB . 52989 1
101 . 1 . 1 9 9 TRP CD1 C 13 128.550 0.000 . 1 . . . . . 9 TRP CD1 . 52989 1
102 . 1 . 1 9 9 TRP CE3 C 13 120.033 0.000 . 1 . . . . . 9 TRP CE3 . 52989 1
103 . 1 . 1 9 9 TRP CZ2 C 13 114.966 0.000 . 1 . . . . . 9 TRP CZ2 . 52989 1
104 . 1 . 1 9 9 TRP CZ3 C 13 121.952 0.000 . 1 . . . . . 9 TRP CZ3 . 52989 1
105 . 1 . 1 9 9 TRP CH2 C 13 124.500 0.000 . 1 . . . . . 9 TRP CH2 . 52989 1
106 . 1 . 1 9 9 TRP N N 15 124.368 0.000 . 1 . . . . . 9 TRP N . 52989 1
107 . 1 . 1 9 9 TRP NE1 N 15 129.397 0.000 . 1 . . . . . 9 TRP NE1 . 52989 1
108 . 1 . 1 10 10 THR H H 1 9.628 0.002 . 1 . . . . . 10 THR H . 52989 1
109 . 1 . 1 10 10 THR HA H 1 4.869 0.005 . 1 . . . . . 10 THR HA . 52989 1
110 . 1 . 1 10 10 THR HB H 1 4.024 0.000 . 1 . . . . . 10 THR HB . 52989 1
111 . 1 . 1 10 10 THR HG21 H 1 1.183 0.001 . 1 . . . . . 10 THR HG2 . 52989 1
112 . 1 . 1 10 10 THR HG22 H 1 1.183 0.001 . 1 . . . . . 10 THR HG2 . 52989 1
113 . 1 . 1 10 10 THR HG23 H 1 1.183 0.001 . 1 . . . . . 10 THR HG2 . 52989 1
114 . 1 . 1 10 10 THR CA C 13 61.900 0.000 . 1 . . . . . 10 THR CA . 52989 1
115 . 1 . 1 10 10 THR CB C 13 71.888 0.000 . 1 . . . . . 10 THR CB . 52989 1
116 . 1 . 1 10 10 THR CG2 C 13 20.911 0.000 . 1 . . . . . 10 THR CG2 . 52989 1
117 . 1 . 1 10 10 THR N N 15 121.704 0.000 . 1 . . . . . 10 THR N . 52989 1
118 . 1 . 1 11 11 TRP H H 1 8.908 0.001 . 1 . . . . . 11 TRP H . 52989 1
119 . 1 . 1 11 11 TRP HA H 1 4.227 0.003 . 1 . . . . . 11 TRP HA . 52989 1
120 . 1 . 1 11 11 TRP HB2 H 1 2.746 0.001 . 2 . . . . . 11 TRP HB2 . 52989 1
121 . 1 . 1 11 11 TRP HB3 H 1 2.059 0.001 . 2 . . . . . 11 TRP HB3 . 52989 1
122 . 1 . 1 11 11 TRP HD1 H 1 6.804 0.002 . 1 . . . . . 11 TRP HD1 . 52989 1
123 . 1 . 1 11 11 TRP HE1 H 1 9.999 0.000 . 1 . . . . . 11 TRP HE1 . 52989 1
124 . 1 . 1 11 11 TRP HE3 H 1 5.415 0.003 . 1 . . . . . 11 TRP HE3 . 52989 1
125 . 1 . 1 11 11 TRP HZ2 H 1 7.388 0.002 . 1 . . . . . 11 TRP HZ2 . 52989 1
126 . 1 . 1 11 11 TRP HZ3 H 1 6.615 0.001 . 1 . . . . . 11 TRP HZ3 . 52989 1
127 . 1 . 1 11 11 TRP HH2 H 1 7.101 0.002 . 1 . . . . . 11 TRP HH2 . 52989 1
128 . 1 . 1 11 11 TRP CA C 13 57.018 0.000 . 1 . . . . . 11 TRP CA . 52989 1
129 . 1 . 1 11 11 TRP CB C 13 28.682 0.003 . 1 . . . . . 11 TRP CB . 52989 1
130 . 1 . 1 11 11 TRP CD1 C 13 127.799 0.000 . 1 . . . . . 11 TRP CD1 . 52989 1
131 . 1 . 1 11 11 TRP CE3 C 13 120.830 0.000 . 1 . . . . . 11 TRP CE3 . 52989 1
132 . 1 . 1 11 11 TRP CZ2 C 13 114.724 0.000 . 1 . . . . . 11 TRP CZ2 . 52989 1
133 . 1 . 1 11 11 TRP CZ3 C 13 120.569 0.000 . 1 . . . . . 11 TRP CZ3 . 52989 1
134 . 1 . 1 11 11 TRP CH2 C 13 124.037 0.000 . 1 . . . . . 11 TRP CH2 . 52989 1
135 . 1 . 1 11 11 TRP N N 15 128.799 0.000 . 1 . . . . . 11 TRP N . 52989 1
136 . 1 . 1 11 11 TRP NE1 N 15 129.953 0.000 . 1 . . . . . 11 TRP NE1 . 52989 1
137 . 1 . 1 12 12 LYS H H 1 7.592 0.002 . 1 . . . . . 12 LYS H . 52989 1
138 . 1 . 1 12 12 LYS HA H 1 4.133 0.002 . 1 . . . . . 12 LYS HA . 52989 1
139 . 1 . 1 12 12 LYS HB2 H 1 1.462 0.002 . 2 . . . . . 12 LYS HB2 . 52989 1
140 . 1 . 1 12 12 LYS HB3 H 1 1.341 0.002 . 2 . . . . . 12 LYS HB3 . 52989 1
141 . 1 . 1 12 12 LYS HG2 H 1 1.191 0.000 . 2 . . . . . 12 LYS HG2 . 52989 1
142 . 1 . 1 12 12 LYS HG3 H 1 1.114 0.002 . 2 . . . . . 12 LYS HG3 . 52989 1
143 . 1 . 1 12 12 LYS HD2 H 1 1.502 0.002 . 2 . . . . . 12 LYS HD2 . 52989 1
144 . 1 . 1 12 12 LYS HE2 H 1 2.825 0.001 . 2 . . . . . 12 LYS HE2 . 52989 1
145 . 1 . 1 12 12 LYS CA C 13 54.397 0.000 . 1 . . . . . 12 LYS CA . 52989 1
146 . 1 . 1 12 12 LYS CB C 13 33.671 0.001 . 1 . . . . . 12 LYS CB . 52989 1
147 . 1 . 1 12 12 LYS CG C 13 24.461 0.001 . 1 . . . . . 12 LYS CG . 52989 1
148 . 1 . 1 12 12 LYS CD C 13 28.878 0.000 . 1 . . . . . 12 LYS CD . 52989 1
149 . 1 . 1 12 12 LYS CE C 13 42.016 0.000 . 1 . . . . . 12 LYS CE . 52989 1
150 . 1 . 1 12 12 LYS N N 15 128.575 0.000 . 1 . . . . . 12 LYS N . 52989 1
151 . 1 . 1 13 13 NH2 HN1 H 1 7.340 0.001 . 2 . . . . . 13 NH2 H1 . 52989 1
152 . 1 . 1 13 13 NH2 HN2 H 1 6.669 0.000 . 2 . . . . . 13 NH2 H2 . 52989 1
153 . 1 . 1 13 13 NH2 N N 15 109.861 0.005 . 1 . . . . . 13 NH2 N . 52989 1
stop_
save_