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 21009
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions
_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 .
_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 '2D 1H-1H TOCSY' . . . 21009 1
2 '2D 1H-13C HSQC' . . . 21009 1
3 '2D 1H-1H NOESY' . . . 21009 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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.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 ACE C C 13 24.123 0.05 . 1 . . . . 1 ACE C . 21009 1
2 . 1 1 1 1 ACE H1 H 1 2.032 0.01 . 1 . . . . 1 ACE H1 . 21009 1
3 . 1 1 1 1 ACE H2 H 1 2.032 0.01 . 1 . . . . 1 ACE H2 . 21009 1
4 . 1 1 1 1 ACE H3 H 1 2.032 0.01 . 1 . . . . 1 ACE H3 . 21009 1
5 . 1 1 2 2 CYS H H 1 8.514 0.01 . 1 . . . . 2 CYS H . 21009 1
6 . 1 1 2 2 CYS HA H 1 4.628 0.01 . 1 . . . . 2 CYS HA . 21009 1
7 . 1 1 2 2 CYS HB2 H 1 2.977 0.01 . 2 . . . . 2 CYS QB . 21009 1
8 . 1 1 2 2 CYS HB3 H 1 2.977 0.01 . 2 . . . . 2 CYS QB . 21009 1
9 . 1 1 2 2 CYS CA C 13 55.327 0.05 . 1 . . . . 2 CYS CA . 21009 1
10 . 1 1 2 2 CYS CB C 13 41.792 0.05 . 1 . . . . 2 CYS CB . 21009 1
11 . 1 1 3 3 SER H H 1 8.658 0.01 . 1 . . . . 3 SER H . 21009 1
12 . 1 1 3 3 SER HA H 1 4.521 0.01 . 1 . . . . 3 SER HA . 21009 1
13 . 1 1 3 3 SER HB2 H 1 3.780 0.01 . 2 . . . . 3 SER QB . 21009 1
14 . 1 1 3 3 SER HB3 H 1 3.780 0.01 . 2 . . . . 3 SER QB . 21009 1
15 . 1 1 3 3 SER CA C 13 57.836 0.05 . 1 . . . . 3 SER CA . 21009 1
16 . 1 1 3 3 SER CB C 13 63.599 0.05 . 1 . . . . 3 SER CB . 21009 1
17 . 1 1 4 4 TRP H H 1 8.276 0.01 . 1 . . . . 4 TRP H . 21009 1
18 . 1 1 4 4 TRP HA H 1 4.719 0.01 . 1 . . . . 4 TRP HA . 21009 1
19 . 1 1 4 4 TRP HB2 H 1 3.229 0.01 . 2 . . . . 4 TRP QB . 21009 1
20 . 1 1 4 4 TRP HB3 H 1 3.229 0.01 . 2 . . . . 4 TRP QB . 21009 1
21 . 1 1 4 4 TRP HD1 H 1 7.232 0.01 . 1 . . . . 4 TRP HD1 . 21009 1
22 . 1 1 4 4 TRP HE1 H 1 10.206 0.01 . 1 . . . . 4 TRP HE1 . 21009 1
23 . 1 1 4 4 TRP HE3 H 1 7.522 0.01 . 1 . . . . 4 TRP HE3 . 21009 1
24 . 1 1 4 4 TRP HZ2 H 1 7.463 0.01 . 1 . . . . 4 TRP HZ2 . 21009 1
25 . 1 1 4 4 TRP HZ3 H 1 7.091 0.01 . 1 . . . . 4 TRP HZ3 . 21009 1
26 . 1 1 4 4 TRP HH2 H 1 7.207 0.01 . 1 . . . . 4 TRP HH2 . 21009 1
27 . 1 1 4 4 TRP CA C 13 57.222 0.05 . 1 . . . . 4 TRP CA . 21009 1
28 . 1 1 4 4 TRP CB C 13 29.325 0.05 . 1 . . . . 4 TRP CB . 21009 1
29 . 1 1 4 4 TRP CD1 C 13 127.046 0.05 . 1 . . . . 4 TRP CD1 . 21009 1
30 . 1 1 4 4 TRP CE3 C 13 120.504 0.05 . 1 . . . . 4 TRP CE3 . 21009 1
31 . 1 1 4 4 TRP CZ2 C 13 114.325 0.05 . 1 . . . . 4 TRP CZ2 . 21009 1
32 . 1 1 4 4 TRP CZ3 C 13 121.775 0.05 . 1 . . . . 4 TRP CZ3 . 21009 1
33 . 1 1 4 4 TRP CH2 C 13 124.404 0.05 . 1 . . . . 4 TRP CH2 . 21009 1
34 . 1 1 5 5 ARG H H 1 8.411 0.01 . 1 . . . . 5 ARG H . 21009 1
35 . 1 1 5 5 ARG HA H 1 4.280 0.01 . 1 . . . . 5 ARG HA . 21009 1
36 . 1 1 5 5 ARG HB2 H 1 1.778 0.01 . 2 . . . . 5 ARG HB2 . 21009 1
37 . 1 1 5 5 ARG HB3 H 1 1.591 0.01 . 2 . . . . 5 ARG HB3 . 21009 1
38 . 1 1 5 5 ARG HG2 H 1 1.332 0.01 . 2 . . . . 5 ARG QG . 21009 1
39 . 1 1 5 5 ARG HG3 H 1 1.332 0.01 . 2 . . . . 5 ARG QG . 21009 1
40 . 1 1 5 5 ARG HD2 H 1 3.063 0.01 . 2 . . . . 5 ARG QD . 21009 1
41 . 1 1 5 5 ARG HD3 H 1 3.063 0.01 . 2 . . . . 5 ARG QD . 21009 1
42 . 1 1 5 5 ARG HE H 1 7.162 0.01 . 1 . . . . 5 ARG HE . 21009 1
43 . 1 1 5 5 ARG CA C 13 55.685 0.05 . 1 . . . . 5 ARG CA . 21009 1
44 . 1 1 5 5 ARG CB C 13 30.457 0.05 . 1 . . . . 5 ARG CB . 21009 1
45 . 1 1 5 5 ARG CG C 13 26.454 0.05 . 1 . . . . 5 ARG CG . 21009 1
46 . 1 1 6 6 GLY H H 1 8.124 0.01 . 1 . . . . 6 GLY H . 21009 1
47 . 1 1 6 6 GLY HA2 H 1 4.045 0.01 . 2 . . . . 6 GLY HA2 . 21009 1
48 . 1 1 6 6 GLY HA3 H 1 3.800 0.01 . 2 . . . . 6 GLY HA3 . 21009 1
49 . 1 1 6 6 GLY CA C 13 44.976 0.05 . 1 . . . . 6 GLY CA . 21009 1
50 . 1 1 7 7 LEU H H 1 8.275 0.01 . 1 . . . . 7 LEU H . 21009 1
51 . 1 1 7 7 LEU HA H 1 4.345 0.01 . 1 . . . . 7 LEU HA . 21009 1
52 . 1 1 7 7 LEU HB2 H 1 1.682 0.01 . 2 . . . . 7 LEU HB2 . 21009 1
53 . 1 1 7 7 LEU HB3 H 1 1.617 0.01 . 2 . . . . 7 LEU HB3 . 21009 1
54 . 1 1 7 7 LEU HG H 1 1.624 0.01 . 1 . . . . 7 LEU HG . 21009 1
55 . 1 1 7 7 LEU HD11 H 1 0.923 0.01 . 2 . . . . 7 LEU MD1 . 21009 1
56 . 1 1 7 7 LEU HD12 H 1 0.923 0.01 . 2 . . . . 7 LEU MD1 . 21009 1
57 . 1 1 7 7 LEU HD13 H 1 0.923 0.01 . 2 . . . . 7 LEU MD1 . 21009 1
58 . 1 1 7 7 LEU HD21 H 1 0.872 0.01 . 2 . . . . 7 LEU MD2 . 21009 1
59 . 1 1 7 7 LEU HD22 H 1 0.872 0.01 . 2 . . . . 7 LEU MD2 . 21009 1
60 . 1 1 7 7 LEU HD23 H 1 0.872 0.01 . 2 . . . . 7 LEU MD2 . 21009 1
61 . 1 1 7 7 LEU CA C 13 55.078 0.05 . 1 . . . . 7 LEU CA . 21009 1
62 . 1 1 7 7 LEU CB C 13 42.151 0.05 . 1 . . . . 7 LEU CB . 21009 1
63 . 1 1 7 7 LEU CG C 13 26.661 0.05 . 1 . . . . 7 LEU CG . 21009 1
64 . 1 1 7 7 LEU CD1 C 13 24.679 0.05 . 2 . . . . 7 LEU CD1 . 21009 1
65 . 1 1 7 7 LEU CD2 C 13 22.892 0.05 . 2 . . . . 7 LEU CD2 . 21009 1
66 . 1 1 8 8 GLU H H 1 8.685 0.01 . 1 . . . . 8 GLU H . 21009 1
67 . 1 1 8 8 GLU HA H 1 4.141 0.01 . 1 . . . . 8 GLU HA . 21009 1
68 . 1 1 8 8 GLU HB2 H 1 1.966 0.01 . 2 . . . . 8 GLU QB . 21009 1
69 . 1 1 8 8 GLU HB3 H 1 1.966 0.01 . 2 . . . . 8 GLU QB . 21009 1
70 . 1 1 8 8 GLU HG2 H 1 2.243 0.01 . 2 . . . . 8 GLU QG . 21009 1
71 . 1 1 8 8 GLU HG3 H 1 2.243 0.01 . 2 . . . . 8 GLU QG . 21009 1
72 . 1 1 8 8 GLU CA C 13 56.984 0.05 . 1 . . . . 8 GLU CA . 21009 1
73 . 1 1 8 8 GLU CB C 13 29.259 0.05 . 1 . . . . 8 GLU CB . 21009 1
74 . 1 1 8 8 GLU CG C 13 35.847 0.05 . 1 . . . . 8 GLU CG . 21009 1
75 . 1 1 9 9 ASN H H 1 8.439 0.01 . 1 . . . . 9 ASN H . 21009 1
76 . 1 1 9 9 ASN HA H 1 4.518 0.01 . 1 . . . . 9 ASN HA . 21009 1
77 . 1 1 9 9 ASN HB2 H 1 2.768 0.01 . 2 . . . . 9 ASN QB . 21009 1
78 . 1 1 9 9 ASN HB3 H 1 2.768 0.01 . 2 . . . . 9 ASN QB . 21009 1
79 . 1 1 9 9 ASN CA C 13 53.448 0.05 . 1 . . . . 9 ASN CA . 21009 1
80 . 1 1 9 9 ASN CB C 13 37.927 0.05 . 1 . . . . 9 ASN CB . 21009 1
81 . 1 1 10 10 HIS H H 1 8.330 0.01 . 1 . . . . 10 HIS H . 21009 1
82 . 1 1 10 10 HIS HA H 1 4.528 0.01 . 1 . . . . 10 HIS HA . 21009 1
83 . 1 1 10 10 HIS HB2 H 1 3.213 0.01 . 2 . . . . 10 HIS HB2 . 21009 1
84 . 1 1 10 10 HIS HB3 H 1 3.101 0.01 . 2 . . . . 10 HIS HB3 . 21009 1
85 . 1 1 10 10 HIS HD2 H 1 7.121 0.01 . 1 . . . . 10 HIS HD2 . 21009 1
86 . 1 1 10 10 HIS HE1 H 1 8.264 0.01 . 1 . . . . 10 HIS HE1 . 21009 1
87 . 1 1 10 10 HIS CA C 13 55.884 0.05 . 1 . . . . 10 HIS CA . 21009 1
88 . 1 1 10 10 HIS CB C 13 28.985 0.05 . 1 . . . . 10 HIS CB . 21009 1
89 . 1 1 10 10 HIS CD2 C 13 119.504 0.05 . 1 . . . . 10 HIS CD2 . 21009 1
90 . 1 1 10 10 HIS CE1 C 13 136.646 0.05 . 1 . . . . 10 HIS CE1 . 21009 1
91 . 1 1 11 11 ARG H H 1 8.266 0.01 . 1 . . . . 11 ARG H . 21009 1
92 . 1 1 11 11 ARG HA H 1 4.264 0.01 . 1 . . . . 11 ARG HA . 21009 1
93 . 1 1 11 11 ARG HB2 H 1 1.780 0.01 . 2 . . . . 11 ARG HB2 . 21009 1
94 . 1 1 11 11 ARG HB3 H 1 1.712 0.01 . 2 . . . . 11 ARG HB3 . 21009 1
95 . 1 1 11 11 ARG HG2 H 1 1.513 0.01 . 2 . . . . 11 ARG QG . 21009 1
96 . 1 1 11 11 ARG HG3 H 1 1.513 0.01 . 2 . . . . 11 ARG QG . 21009 1
97 . 1 1 11 11 ARG HD2 H 1 3.075 0.01 . 2 . . . . 11 ARG QD . 21009 1
98 . 1 1 11 11 ARG HD3 H 1 3.075 0.01 . 2 . . . . 11 ARG QD . 21009 1
99 . 1 1 11 11 ARG HE H 1 7.181 0.01 . 1 . . . . 11 ARG HE . 21009 1
100 . 1 1 11 11 ARG CA C 13 56.377 0.05 . 1 . . . . 11 ARG CA . 21009 1
101 . 1 1 11 11 ARG CB C 13 30.230 0.05 . 1 . . . . 11 ARG CB . 21009 1
102 . 1 1 11 11 ARG CG C 13 26.801 0.05 . 1 . . . . 11 ARG CG . 21009 1
103 . 1 1 12 12 MET H H 1 8.580 0.01 . 1 . . . . 12 MET H . 21009 1
104 . 1 1 12 12 MET HA H 1 4.553 0.01 . 1 . . . . 12 MET HA . 21009 1
105 . 1 1 12 12 MET HB2 H 1 2.031 0.01 . 2 . . . . 12 MET HB2 . 21009 1
106 . 1 1 12 12 MET HB3 H 1 1.945 0.01 . 2 . . . . 12 MET HB3 . 21009 1
107 . 1 1 12 12 MET HG2 H 1 2.474 0.01 . 2 . . . . 12 MET QG . 21009 1
108 . 1 1 12 12 MET HG3 H 1 2.474 0.01 . 2 . . . . 12 MET QG . 21009 1
109 . 1 1 12 12 MET HE1 H 1 2.022 0.01 . 1 . . . . 12 MET ME . 21009 1
110 . 1 1 12 12 MET HE2 H 1 2.022 0.01 . 1 . . . . 12 MET ME . 21009 1
111 . 1 1 12 12 MET HE3 H 1 2.022 0.01 . 1 . . . . 12 MET ME . 21009 1
112 . 1 1 12 12 MET CB C 13 32.431 0.05 . 1 . . . . 12 MET CB . 21009 1
113 . 1 1 12 12 MET CG C 13 31.576 0.05 . 1 . . . . 12 MET CG . 21009 1
114 . 1 1 12 12 MET CE C 13 16.447 0.05 . 1 . . . . 12 MET CE . 21009 1
115 . 1 1 13 13 CYS H H 1 8.406 0.01 . 1 . . . . 13 CYS H . 21009 1
116 . 1 1 13 13 CYS HA H 1 4.556 0.01 . 1 . . . . 13 CYS HA . 21009 1
117 . 1 1 13 13 CYS HB2 H 1 3.080 0.01 . 2 . . . . 13 CYS HB2 . 21009 1
118 . 1 1 13 13 CYS HB3 H 1 2.634 0.01 . 2 . . . . 13 CYS HB3 . 21009 1
119 . 1 1 13 13 CYS CB C 13 41.172 0.05 . 1 . . . . 13 CYS CB . 21009 1
stop_
save_