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 31181
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 '2D 1H-1H NOESY' . . . 31181 1
2 '2D 1H-1H TOCSY' . . . 31181 1
3 '2D 1H-13C HSQC' . . . 31181 1
4 '2D 1H-15N HSQC' . . . 31181 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 PHE HD1 H 1 7.3390 0.0000 . 3 . . . . A 1 PHE HD1 . 31181 1
2 . 1 . 1 1 1 PHE HD2 H 1 7.3406 0.0000 . 3 . . . . A 1 PHE HD2 . 31181 1
3 . 1 . 1 1 1 PHE HE1 H 1 7.3985 0.0000 . 3 . . . . A 1 PHE HE1 . 31181 1
4 . 1 . 1 1 1 PHE HE2 H 1 7.3976 0.0000 . 3 . . . . A 1 PHE HE2 . 31181 1
5 . 1 . 1 1 1 PHE HZ H 1 7.3677 0.0000 . 1 . . . . A 1 PHE HZ . 31181 1
6 . 1 . 1 1 1 PHE CD1 C 13 129.6661 0.0000 . 3 . . . . A 1 PHE CD1 . 31181 1
7 . 1 . 1 1 1 PHE CD2 C 13 129.3643 0.0000 . 3 . . . . A 1 PHE CD2 . 31181 1
8 . 1 . 1 1 1 PHE CE1 C 13 129.6180 0.0000 . 3 . . . . A 1 PHE CE1 . 31181 1
9 . 1 . 1 1 1 PHE CE2 C 13 129.0984 0.0000 . 3 . . . . A 1 PHE CE2 . 31181 1
10 . 1 . 1 1 1 PHE CZ C 13 128.2026 0.0000 . 1 . . . . A 1 PHE CZ . 31181 1
11 . 1 . 1 2 2 ILE H H 1 8.8040 0.0008 . 1 . . . . A 2 ILE H . 31181 1
12 . 1 . 1 2 2 ILE HA H 1 4.2878 0.0046 . 1 . . . . A 2 ILE HA . 31181 1
13 . 1 . 1 2 2 ILE HB H 1 1.7832 0.0034 . 1 . . . . A 2 ILE HB . 31181 1
14 . 1 . 1 2 2 ILE HG13 H 1 1.1088 0.0000 . 2 . . . . A 2 ILE HG13 . 31181 1
15 . 1 . 1 2 2 ILE CA C 13 57.5769 0.0000 . 1 . . . . A 2 ILE CA . 31181 1
16 . 1 . 1 2 2 ILE CB C 13 37.8127 0.0000 . 1 . . . . A 2 ILE CB . 31181 1
17 . 1 . 1 3 3 ASP H H 1 8.6565 0.0026 . 1 . . . . A 3 ASP H . 31181 1
18 . 1 . 1 3 3 ASP HA H 1 4.6976 0.0029 . 1 . . . . A 3 ASP HA . 31181 1
19 . 1 . 1 3 3 ASP HB2 H 1 2.5240 0.0034 . 2 . . . . A 3 ASP HB2 . 31181 1
20 . 1 . 1 3 3 ASP HB3 H 1 2.7980 0.0024 . 2 . . . . A 3 ASP HB3 . 31181 1
21 . 1 . 1 3 3 ASP CA C 13 50.1867 0.0000 . 1 . . . . A 3 ASP CA . 31181 1
22 . 1 . 1 3 3 ASP CB C 13 37.5379 0.0935 . 1 . . . . A 3 ASP CB . 31181 1
23 . 1 . 1 3 3 ASP N N 15 124.6212 0.0000 . 1 . . . . A 3 ASP N . 31181 1
24 . 1 . 1 4 4 THR H H 1 8.3341 0.0018 . 1 . . . . A 4 THR H . 31181 1
25 . 1 . 1 4 4 THR HA H 1 4.2178 0.0035 . 1 . . . . A 4 THR HA . 31181 1
26 . 1 . 1 4 4 THR HB H 1 4.3828 0.0034 . 1 . . . . A 4 THR HB . 31181 1
27 . 1 . 1 4 4 THR HG21 H 1 1.2778 0.0005 . 1 . . . . A 4 THR HG21 . 31181 1
28 . 1 . 1 4 4 THR HG22 H 1 1.2778 0.0005 . 1 . . . . A 4 THR HG22 . 31181 1
29 . 1 . 1 4 4 THR HG23 H 1 1.2778 0.0005 . 1 . . . . A 4 THR HG23 . 31181 1
30 . 1 . 1 4 4 THR CA C 13 60.8638 0.0000 . 1 . . . . A 4 THR CA . 31181 1
31 . 1 . 1 4 4 THR CB C 13 66.8254 0.0000 . 1 . . . . A 4 THR CB . 31181 1
32 . 1 . 1 4 4 THR N N 15 118.8709 0.0000 . 1 . . . . A 4 THR N . 31181 1
33 . 1 . 1 5 5 ASN H H 1 8.0283 0.0046 . 1 . . . . A 5 ASN H . 31181 1
34 . 1 . 1 5 5 ASN HA H 1 4.9463 0.0052 . 1 . . . . A 5 ASN HA . 31181 1
35 . 1 . 1 5 5 ASN HB2 H 1 2.8502 0.0053 . 2 . . . . A 5 ASN HB2 . 31181 1
36 . 1 . 1 5 5 ASN HB3 H 1 3.2229 0.0053 . 2 . . . . A 5 ASN HB3 . 31181 1
37 . 1 . 1 5 5 ASN HD21 H 1 7.0252 0.0023 . 2 . . . . A 5 ASN HD21 . 31181 1
38 . 1 . 1 5 5 ASN HD22 H 1 8.3172 0.0021 . 2 . . . . A 5 ASN HD22 . 31181 1
39 . 1 . 1 5 5 ASN CA C 13 49.3790 0.0000 . 1 . . . . A 5 ASN CA . 31181 1
40 . 1 . 1 5 5 ASN CB C 13 34.6352 0.0000 . 1 . . . . A 5 ASN CB . 31181 1
41 . 1 . 1 5 5 ASN ND2 N 15 117.3265 0.0033 . 1 . . . . A 5 ASN ND2 . 31181 1
42 . 1 . 1 6 6 ASN H H 1 8.0410 0.0021 . 1 . . . . A 6 ASN H . 31181 1
43 . 1 . 1 6 6 ASN HA H 1 4.3510 0.0045 . 1 . . . . A 6 ASN HA . 31181 1
44 . 1 . 1 6 6 ASN HB2 H 1 2.5615 0.0047 . 2 . . . . A 6 ASN HB2 . 31181 1
45 . 1 . 1 6 6 ASN HB3 H 1 2.9988 0.0049 . 2 . . . . A 6 ASN HB3 . 31181 1
46 . 1 . 1 6 6 ASN HD21 H 1 6.7765 0.0023 . 2 . . . . A 6 ASN HD21 . 31181 1
47 . 1 . 1 6 6 ASN HD22 H 1 7.5770 0.0023 . 2 . . . . A 6 ASN HD22 . 31181 1
48 . 1 . 1 6 6 ASN CA C 13 54.5665 0.0000 . 1 . . . . A 6 ASN CA . 31181 1
49 . 1 . 1 6 6 ASN CB C 13 35.1357 0.0000 . 1 . . . . A 6 ASN CB . 31181 1
50 . 1 . 1 6 6 ASN N N 15 116.1381 0.0000 . 1 . . . . A 6 ASN N . 31181 1
51 . 1 . 1 6 6 ASN ND2 N 15 112.6753 0.0074 . 1 . . . . A 6 ASN ND2 . 31181 1
52 . 1 . 1 7 7 ASP H H 1 8.1060 0.0017 . 1 . . . . A 7 ASP H . 31181 1
53 . 1 . 1 7 7 ASP HA H 1 4.7164 0.0041 . 1 . . . . A 7 ASP HA . 31181 1
54 . 1 . 1 7 7 ASP HB2 H 1 2.5510 0.0046 . 2 . . . . A 7 ASP HB2 . 31181 1
55 . 1 . 1 7 7 ASP HB3 H 1 3.0292 0.0045 . 2 . . . . A 7 ASP HB3 . 31181 1
56 . 1 . 1 7 7 ASP CA C 13 50.5709 0.0000 . 1 . . . . A 7 ASP CA . 31181 1
57 . 1 . 1 7 7 ASP CB C 13 38.5584 0.0095 . 1 . . . . A 7 ASP CB . 31181 1
58 . 1 . 1 7 7 ASP N N 15 115.9048 0.0000 . 1 . . . . A 7 ASP N . 31181 1
59 . 1 . 1 8 8 GLY H H 1 8.9931 0.0012 . 1 . . . . A 8 GLY H . 31181 1
60 . 1 . 1 8 8 GLY HA2 H 1 3.5293 0.0042 . 2 . . . . A 8 GLY HA2 . 31181 1
61 . 1 . 1 8 8 GLY HA3 H 1 3.9520 0.0050 . 2 . . . . A 8 GLY HA3 . 31181 1
62 . 1 . 1 8 8 GLY CA C 13 42.6099 0.0094 . 1 . . . . A 8 GLY CA . 31181 1
63 . 1 . 1 9 9 TRP H H 1 8.3889 0.0010 . 1 . . . . A 9 TRP H . 31181 1
64 . 1 . 1 9 9 TRP HA H 1 5.0412 0.0034 . 1 . . . . A 9 TRP HA . 31181 1
65 . 1 . 1 9 9 TRP HB2 H 1 3.0747 0.0029 . 2 . . . . A 9 TRP HB2 . 31181 1
66 . 1 . 1 9 9 TRP HB3 H 1 3.1984 0.0056 . 2 . . . . A 9 TRP HB3 . 31181 1
67 . 1 . 1 9 9 TRP HD1 H 1 7.1133 0.0026 . 1 . . . . A 9 TRP HD1 . 31181 1
68 . 1 . 1 9 9 TRP HE1 H 1 10.0055 0.0049 . 1 . . . . A 9 TRP HE1 . 31181 1
69 . 1 . 1 9 9 TRP HE3 H 1 7.6474 0.0043 . 1 . . . . A 9 TRP HE3 . 31181 1
70 . 1 . 1 9 9 TRP HZ2 H 1 7.4773 0.0027 . 1 . . . . A 9 TRP HZ2 . 31181 1
71 . 1 . 1 9 9 TRP HZ3 H 1 7.1497 0.0043 . 1 . . . . A 9 TRP HZ3 . 31181 1
72 . 1 . 1 9 9 TRP HH2 H 1 7.2271 0.0032 . 1 . . . . A 9 TRP HH2 . 31181 1
73 . 1 . 1 9 9 TRP CA C 13 52.6938 0.0000 . 1 . . . . A 9 TRP CA . 31181 1
74 . 1 . 1 9 9 TRP CB C 13 29.6773 0.0080 . 1 . . . . A 9 TRP CB . 31181 1
75 . 1 . 1 9 9 TRP CD1 C 13 125.1758 0.0000 . 1 . . . . A 9 TRP CD1 . 31181 1
76 . 1 . 1 9 9 TRP CE3 C 13 118.3814 0.0000 . 1 . . . . A 9 TRP CE3 . 31181 1
77 . 1 . 1 9 9 TRP CZ2 C 13 111.7406 0.0000 . 1 . . . . A 9 TRP CZ2 . 31181 1
78 . 1 . 1 9 9 TRP CZ3 C 13 119.1950 0.0000 . 1 . . . . A 9 TRP CZ3 . 31181 1
79 . 1 . 1 9 9 TRP CH2 C 13 121.7413 0.0000 . 1 . . . . A 9 TRP CH2 . 31181 1
80 . 1 . 1 9 9 TRP NE1 N 15 128.8981 0.0000 . 1 . . . . A 9 TRP NE1 . 31181 1
81 . 1 . 1 10 10 ILE H H 1 9.0070 0.0041 . 1 . . . . A 10 ILE H . 31181 1
82 . 1 . 1 10 10 ILE HA H 1 4.8980 0.0029 . 1 . . . . A 10 ILE HA . 31181 1
83 . 1 . 1 10 10 ILE HB H 1 1.8408 0.0012 . 1 . . . . A 10 ILE HB . 31181 1
84 . 1 . 1 10 10 ILE HG12 H 1 1.2406 0.0001 . 2 . . . . A 10 ILE HG12 . 31181 1
85 . 1 . 1 10 10 ILE HG13 H 1 1.3298 0.0016 . 2 . . . . A 10 ILE HG13 . 31181 1
86 . 1 . 1 10 10 ILE HG21 H 1 0.6399 0.0013 . 1 . . . . A 10 ILE HG21 . 31181 1
87 . 1 . 1 10 10 ILE HG22 H 1 0.6399 0.0013 . 1 . . . . A 10 ILE HG22 . 31181 1
88 . 1 . 1 10 10 ILE HG23 H 1 0.6399 0.0013 . 1 . . . . A 10 ILE HG23 . 31181 1
89 . 1 . 1 10 10 ILE HD11 H 1 0.5521 0.0006 . 1 . . . . A 10 ILE HD11 . 31181 1
90 . 1 . 1 10 10 ILE HD12 H 1 0.5521 0.0006 . 1 . . . . A 10 ILE HD12 . 31181 1
91 . 1 . 1 10 10 ILE HD13 H 1 0.5521 0.0006 . 1 . . . . A 10 ILE HD13 . 31181 1
92 . 1 . 1 11 11 GLU H H 1 8.7767 0.0019 . 1 . . . . A 11 GLU H . 31181 1
93 . 1 . 1 11 11 GLU HA H 1 4.6541 0.0031 . 1 . . . . A 11 GLU HA . 31181 1
94 . 1 . 1 11 11 GLU HB2 H 1 1.9453 0.0001 . 2 . . . . A 11 GLU HB2 . 31181 1
95 . 1 . 1 11 11 GLU HB3 H 1 2.0056 0.0006 . 2 . . . . A 11 GLU HB3 . 31181 1
96 . 1 . 1 11 11 GLU HG2 H 1 2.2483 0.0012 . 2 . . . . A 11 GLU HG2 . 31181 1
97 . 1 . 1 11 11 GLU HG3 H 1 2.3428 0.0079 . 2 . . . . A 11 GLU HG3 . 31181 1
98 . 1 . 1 11 11 GLU CA C 13 52.3485 0.0000 . 1 . . . . A 11 GLU CA . 31181 1
99 . 1 . 1 11 11 GLU N N 15 126.4664 0.0000 . 1 . . . . A 11 GLU N . 31181 1
100 . 1 . 1 12 12 GLY H H 1 8.7773 0.0019 . 1 . . . . A 12 GLY H . 31181 1
101 . 1 . 1 12 12 GLY HA2 H 1 3.7240 0.0064 . 2 . . . . A 12 GLY HA2 . 31181 1
102 . 1 . 1 12 12 GLY HA3 H 1 3.9585 0.0032 . 2 . . . . A 12 GLY HA3 . 31181 1
103 . 1 . 1 12 12 GLY CA C 13 44.2934 0.0281 . 1 . . . . A 12 GLY CA . 31181 1
104 . 1 . 1 12 12 GLY N N 15 108.4961 0.0000 . 1 . . . . A 12 GLY N . 31181 1
105 . 1 . 1 13 13 ASP H H 1 9.1936 0.0042 . 1 . . . . A 13 ASP H . 31181 1
106 . 1 . 1 13 13 ASP HA H 1 4.4041 0.0036 . 1 . . . . A 13 ASP HA . 31181 1
107 . 1 . 1 13 13 ASP HB2 H 1 2.7352 0.0053 . 2 . . . . A 13 ASP HB2 . 31181 1
108 . 1 . 1 13 13 ASP HB3 H 1 2.7844 0.0106 . 2 . . . . A 13 ASP HB3 . 31181 1
109 . 1 . 1 13 13 ASP CA C 13 53.4699 0.0000 . 1 . . . . A 13 ASP CA . 31181 1
110 . 1 . 1 13 13 ASP CB C 13 37.2300 0.0260 . 1 . . . . A 13 ASP CB . 31181 1
111 . 1 . 1 14 14 GLU H H 1 8.2203 0.0010 . 1 . . . . A 14 GLU H . 31181 1
112 . 1 . 1 14 14 GLU HA H 1 4.2652 0.0066 . 1 . . . . A 14 GLU HA . 31181 1
113 . 1 . 1 14 14 GLU HB2 H 1 2.2893 0.0007 . 2 . . . . A 14 GLU HB2 . 31181 1
114 . 1 . 1 14 14 GLU HB3 H 1 2.3545 0.0026 . 2 . . . . A 14 GLU HB3 . 31181 1
115 . 1 . 1 14 14 GLU HG2 H 1 2.7279 0.0042 . 2 . . . . A 14 GLU HG2 . 31181 1
116 . 1 . 1 14 14 GLU HG3 H 1 2.7279 0.0042 . 2 . . . . A 14 GLU HG3 . 31181 1
117 . 1 . 1 14 14 GLU CA C 13 54.7318 0.0000 . 1 . . . . A 14 GLU CA . 31181 1
118 . 1 . 1 14 14 GLU CG C 13 33.4992 0.0000 . 1 . . . . A 14 GLU CG . 31181 1
119 . 1 . 1 14 14 GLU N N 15 119.0664 0.0000 . 1 . . . . A 14 GLU N . 31181 1
120 . 1 . 1 15 15 LEU H H 1 7.3259 0.0023 . 1 . . . . A 15 LEU H . 31181 1
121 . 1 . 1 15 15 LEU HA H 1 3.7501 0.0061 . 1 . . . . A 15 LEU HA . 31181 1
122 . 1 . 1 15 15 LEU HB2 H 1 1.4532 0.0000 . 2 . . . . A 15 LEU HB2 . 31181 1
123 . 1 . 1 15 15 LEU HB3 H 1 1.5661 0.0000 . 2 . . . . A 15 LEU HB3 . 31181 1
124 . 1 . 1 15 15 LEU HG H 1 1.1541 0.0002 . 1 . . . . A 15 LEU HG . 31181 1
125 . 1 . 1 15 15 LEU HD11 H 1 0.8308 0.0000 . 2 . . . . A 15 LEU HD11 . 31181 1
126 . 1 . 1 15 15 LEU HD12 H 1 0.8308 0.0000 . 2 . . . . A 15 LEU HD12 . 31181 1
127 . 1 . 1 15 15 LEU HD13 H 1 0.8308 0.0000 . 2 . . . . A 15 LEU HD13 . 31181 1
128 . 1 . 1 15 15 LEU HD21 H 1 0.5015 0.0000 . 2 . . . . A 15 LEU HD21 . 31181 1
129 . 1 . 1 15 15 LEU HD22 H 1 0.5015 0.0000 . 2 . . . . A 15 LEU HD22 . 31181 1
130 . 1 . 1 15 15 LEU HD23 H 1 0.5015 0.0000 . 2 . . . . A 15 LEU HD23 . 31181 1
131 . 1 . 1 15 15 LEU CA C 13 52.7919 0.0000 . 1 . . . . A 15 LEU CA . 31181 1
132 . 1 . 1 16 16 LEU H H 1 7.2890 0.0021 . 1 . . . . A 16 LEU H . 31181 1
133 . 1 . 1 16 16 LEU HA H 1 4.3226 0.0039 . 1 . . . . A 16 LEU HA . 31181 1
134 . 1 . 1 16 16 LEU HB2 H 1 1.6324 0.0013 . 2 . . . . A 16 LEU HB2 . 31181 1
135 . 1 . 1 16 16 LEU HB3 H 1 1.7677 0.0009 . 2 . . . . A 16 LEU HB3 . 31181 1
136 . 1 . 1 16 16 LEU HG H 1 1.4649 0.0000 . 1 . . . . A 16 LEU HG . 31181 1
137 . 1 . 1 16 16 LEU HD11 H 1 0.9462 0.0000 . 2 . . . . A 16 LEU HD11 . 31181 1
138 . 1 . 1 16 16 LEU HD12 H 1 0.9462 0.0000 . 2 . . . . A 16 LEU HD12 . 31181 1
139 . 1 . 1 16 16 LEU HD13 H 1 0.9462 0.0000 . 2 . . . . A 16 LEU HD13 . 31181 1
140 . 1 . 1 16 16 LEU HD21 H 1 0.8582 0.0000 . 2 . . . . A 16 LEU HD21 . 31181 1
141 . 1 . 1 16 16 LEU HD22 H 1 0.8582 0.0000 . 2 . . . . A 16 LEU HD22 . 31181 1
142 . 1 . 1 16 16 LEU HD23 H 1 0.8582 0.0000 . 2 . . . . A 16 LEU HD23 . 31181 1
143 . 1 . 1 16 16 LEU CA C 13 52.3954 0.0000 . 1 . . . . A 16 LEU CA . 31181 1
144 . 1 . 1 17 17 ALA H H 1 7.7879 0.0020 . 1 . . . . A 17 ALA H . 31181 1
145 . 1 . 1 17 17 ALA HA H 1 4.3170 0.0057 . 1 . . . . A 17 ALA HA . 31181 1
146 . 1 . 1 17 17 ALA HB1 H 1 1.4641 0.0007 . 1 . . . . A 17 ALA HB1 . 31181 1
147 . 1 . 1 17 17 ALA HB2 H 1 1.4641 0.0007 . 1 . . . . A 17 ALA HB2 . 31181 1
148 . 1 . 1 17 17 ALA HB3 H 1 1.4641 0.0007 . 1 . . . . A 17 ALA HB3 . 31181 1
149 . 1 . 1 17 17 ALA CA C 13 49.7204 0.0000 . 1 . . . . A 17 ALA CA . 31181 1
150 . 1 . 1 17 17 ALA N N 15 123.6324 0.0000 . 1 . . . . A 17 ALA N . 31181 1
stop_
save_