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 36349
_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 $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-15N HSQC' 1 $v3a isotropic 36349 1
2 '2D 1H-13C HSQC' 1 $v3a isotropic 36349 1
3 '2D 1H-1H TOCSY' 1 $v3a isotropic 36349 1
4 '2D 1H-1H NOESY' 1 $v3a isotropic 36349 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 LEU HA H 1 4.393 0.002 . 1 . . 119 . A 1 LEU HA . 36349 1
2 . 1 . 1 1 1 LEU HB2 H 1 1.671 0.002 . 2 . . 120 . A 1 LEU HB2 . 36349 1
3 . 1 . 1 1 1 LEU HB3 H 1 1.572 0.006 . 2 . . 121 . A 1 LEU HB3 . 36349 1
4 . 1 . 1 1 1 LEU HG H 1 1.427 . . 1 . . 123 . A 1 LEU HG . 36349 1
5 . 1 . 1 1 1 LEU HD11 H 1 0.741 0.004 . 2 . . 122 . A 1 LEU HD11 . 36349 1
6 . 1 . 1 1 1 LEU HD12 H 1 0.741 0.004 . 2 . . 122 . A 1 LEU HD12 . 36349 1
7 . 1 . 1 1 1 LEU HD13 H 1 0.741 0.004 . 2 . . 122 . A 1 LEU HD13 . 36349 1
8 . 1 . 1 1 1 LEU HD21 H 1 0.952 . . 2 . . 124 . A 1 LEU HD21 . 36349 1
9 . 1 . 1 1 1 LEU HD22 H 1 0.952 . . 2 . . 124 . A 1 LEU HD22 . 36349 1
10 . 1 . 1 1 1 LEU HD23 H 1 0.952 . . 2 . . 124 . A 1 LEU HD23 . 36349 1
11 . 1 . 1 1 1 LEU H1 H 1 8.484 0.001 . 1 . . 118 . A 1 LEU H1 . 36349 1
12 . 1 . 1 2 2 VAL H H 1 8.406 0.001 . 1 . . 50 . A 2 VAL H . 36349 1
13 . 1 . 1 2 2 VAL HA H 1 4.098 0.0 . 1 . . 53 . A 2 VAL HA . 36349 1
14 . 1 . 1 2 2 VAL HB H 1 1.669 0.001 . 1 . . 48 . A 2 VAL HB . 36349 1
15 . 1 . 1 2 2 VAL HG11 H 1 1.010 . . 2 . . 49 . A 2 VAL HG11 . 36349 1
16 . 1 . 1 2 2 VAL HG12 H 1 1.010 . . 2 . . 49 . A 2 VAL HG12 . 36349 1
17 . 1 . 1 2 2 VAL HG13 H 1 1.010 . . 2 . . 49 . A 2 VAL HG13 . 36349 1
18 . 1 . 1 2 2 VAL HG21 H 1 0.756 . . 2 . . 55 . A 2 VAL HG21 . 36349 1
19 . 1 . 1 2 2 VAL HG22 H 1 0.756 . . 2 . . 55 . A 2 VAL HG22 . 36349 1
20 . 1 . 1 2 2 VAL HG23 H 1 0.756 . . 2 . . 55 . A 2 VAL HG23 . 36349 1
21 . 1 . 1 2 2 VAL CA C 13 61.821 . . 1 . . 54 . A 2 VAL CA . 36349 1
22 . 1 . 1 2 2 VAL CB C 13 29.802 . . 1 . . 52 . A 2 VAL CB . 36349 1
23 . 1 . 1 2 2 VAL N N 15 124.853 . . 1 . . 51 . A 2 VAL N . 36349 1
24 . 1 . 1 3 3 ALA H H 1 8.167 0.003 . 1 . . 45 . A 3 ALA H . 36349 1
25 . 1 . 1 3 3 ALA HA H 1 4.599 . . 1 . . 46 . A 3 ALA HA . 36349 1
26 . 1 . 1 3 3 ALA HB1 H 1 1.445 0.003 . 1 . . 47 . A 3 ALA HB1 . 36349 1
27 . 1 . 1 3 3 ALA HB2 H 1 1.445 0.003 . 1 . . 47 . A 3 ALA HB2 . 36349 1
28 . 1 . 1 3 3 ALA HB3 H 1 1.445 0.003 . 1 . . 47 . A 3 ALA HB3 . 36349 1
29 . 1 . 1 3 3 ALA CB C 13 23.099 . . 1 . . 106 . A 3 ALA CB . 36349 1
30 . 1 . 1 3 3 ALA N N 15 124.368 . . 1 . . 56 . A 3 ALA N . 36349 1
31 . 1 . 1 4 4 ILE H H 1 9.728 0.002 . 1 . . 57 . A 4 ILE H . 36349 1
32 . 1 . 1 4 4 ILE HA H 1 4.393 . . 1 . . 61 . A 4 ILE HA . 36349 1
33 . 1 . 1 4 4 ILE HB H 1 1.888 . . 1 . . 62 . A 4 ILE HB . 36349 1
34 . 1 . 1 4 4 ILE HG12 H 1 1.545 . . 2 . . 63 . A 4 ILE HG12 . 36349 1
35 . 1 . 1 4 4 ILE HG13 H 1 1.214 . . 2 . . 64 . A 4 ILE HG13 . 36349 1
36 . 1 . 1 4 4 ILE HG21 H 1 1.065 . . 1 . . 65 . A 4 ILE HG21 . 36349 1
37 . 1 . 1 4 4 ILE HG22 H 1 1.065 . . 1 . . 65 . A 4 ILE HG22 . 36349 1
38 . 1 . 1 4 4 ILE HG23 H 1 1.065 . . 1 . . 65 . A 4 ILE HG23 . 36349 1
39 . 1 . 1 4 4 ILE HD11 H 1 1.065 . . 1 . . 66 . A 4 ILE HD11 . 36349 1
40 . 1 . 1 4 4 ILE HD12 H 1 1.065 . . 1 . . 66 . A 4 ILE HD12 . 36349 1
41 . 1 . 1 4 4 ILE HD13 H 1 1.065 . . 1 . . 66 . A 4 ILE HD13 . 36349 1
42 . 1 . 1 4 4 ILE N N 15 121.939 . . 1 . . 58 . A 4 ILE N . 36349 1
43 . 1 . 1 5 5 VAL H H 1 8.628 0.001 . 1 . . 67 . A 5 VAL H . 36349 1
44 . 1 . 1 5 5 VAL HA H 1 3.416 0.003 . 1 . . 70 . A 5 VAL HA . 36349 1
45 . 1 . 1 5 5 VAL HB H 1 3.461 . . 1 . . 69 . A 5 VAL HB . 36349 1
46 . 1 . 1 5 5 VAL HG11 H 1 1.242 . . 2 . . 75 . A 5 VAL HG11 . 36349 1
47 . 1 . 1 5 5 VAL HG12 H 1 1.242 . . 2 . . 75 . A 5 VAL HG12 . 36349 1
48 . 1 . 1 5 5 VAL HG13 H 1 1.242 . . 2 . . 75 . A 5 VAL HG13 . 36349 1
49 . 1 . 1 5 5 VAL HG21 H 1 1.071 . . 2 . . 76 . A 5 VAL HG21 . 36349 1
50 . 1 . 1 5 5 VAL HG22 H 1 1.071 . . 2 . . 76 . A 5 VAL HG22 . 36349 1
51 . 1 . 1 5 5 VAL HG23 H 1 1.071 . . 2 . . 76 . A 5 VAL HG23 . 36349 1
52 . 1 . 1 5 5 VAL CA C 13 66.932 . . 1 . . 71 . A 5 VAL CA . 36349 1
53 . 1 . 1 5 5 VAL N N 15 120.525 . . 1 . . 72 . A 5 VAL N . 36349 1
54 . 1 . 1 6 6 GLN H H 1 8.660 0.004 . 1 . . 73 . A 6 GLN H . 36349 1
55 . 1 . 1 6 6 GLN HA H 1 4.616 . . 1 . . 77 . A 6 GLN HA . 36349 1
56 . 1 . 1 6 6 GLN HB2 H 1 2.054 0.001 . 2 . . 80 . A 6 GLN HB2 . 36349 1
57 . 1 . 1 6 6 GLN HB3 H 1 2.022 . . 2 . . 82 . A 6 GLN HB3 . 36349 1
58 . 1 . 1 6 6 GLN HG2 H 1 2.567 0.002 . 1 . . 78 . A 6 GLN HG2 . 36349 1
59 . 1 . 1 6 6 GLN CB C 13 29.619 0.001 . 1 . . 81 . A 6 GLN CB . 36349 1
60 . 1 . 1 6 6 GLN CG C 13 34.107 . . 1 . . 79 . A 6 GLN CG . 36349 1
61 . 1 . 1 6 6 GLN N N 15 126.690 . . 1 . . 74 . A 6 GLN N . 36349 1
62 . 1 . 1 7 7 ALA H H 1 7.152 0.004 . 1 . . 83 . A 7 ALA H . 36349 1
63 . 1 . 1 7 7 ALA HA H 1 3.849 0.002 . 1 . . 86 . A 7 ALA HA . 36349 1
64 . 1 . 1 7 7 ALA HB1 H 1 1.323 . . 1 . . 85 . A 7 ALA HB1 . 36349 1
65 . 1 . 1 7 7 ALA HB2 H 1 1.323 . . 1 . . 85 . A 7 ALA HB2 . 36349 1
66 . 1 . 1 7 7 ALA HB3 H 1 1.323 . . 1 . . 85 . A 7 ALA HB3 . 36349 1
67 . 1 . 1 7 7 ALA CA C 13 53.816 . . 1 . . 91 . A 7 ALA CA . 36349 1
68 . 1 . 1 7 7 ALA N N 15 124.683 . . 1 . . 84 . A 7 ALA N . 36349 1
69 . 1 . 1 8 8 ASP H H 1 5.811 0.005 . 1 . . 87 . A 8 ASP H . 36349 1
70 . 1 . 1 8 8 ASP HA H 1 3.077 0.001 . 1 . . 89 . A 8 ASP HA . 36349 1
71 . 1 . 1 8 8 ASP HB2 H 1 2.099 . . 2 . . 92 . A 8 ASP HB2 . 36349 1
72 . 1 . 1 8 8 ASP HB3 H 1 1.570 . . 2 . . 93 . A 8 ASP HB3 . 36349 1
73 . 1 . 1 8 8 ASP CA C 13 50.229 . . 1 . . 90 . A 8 ASP CA . 36349 1
74 . 1 . 1 8 8 ASP N N 15 114.991 . . 1 . . 88 . A 8 ASP N . 36349 1
75 . 1 . 1 9 9 TRP H H 1 6.512 0.001 . 1 . . 94 . A 9 TRP H . 36349 1
76 . 1 . 1 9 9 TRP HA H 1 4.152 . . 1 . . 96 . A 9 TRP HA . 36349 1
77 . 1 . 1 9 9 TRP HB2 H 1 3.180 . . 2 . . 97 . A 9 TRP HB2 . 36349 1
78 . 1 . 1 9 9 TRP HB3 H 1 3.117 . . 2 . . 98 . A 9 TRP HB3 . 36349 1
79 . 1 . 1 9 9 TRP HD1 H 1 7.250 0.0 . 1 . . 133 . A 9 TRP HD1 . 36349 1
80 . 1 . 1 9 9 TRP HE1 H 1 10.484 . . 1 . . 132 . A 9 TRP HE1 . 36349 1
81 . 1 . 1 9 9 TRP HZ2 H 1 7.589 . . 1 . . 134 . A 9 TRP HZ2 . 36349 1
82 . 1 . 1 9 9 TRP CZ2 C 13 115.126 . . 1 . . 137 . A 9 TRP CZ2 . 36349 1
83 . 1 . 1 9 9 TRP N N 15 111.543 . . 1 . . 95 . A 9 TRP N . 36349 1
84 . 1 . 1 10 10 ASN H H 1 7.454 0.006 . 1 . . 99 . A 10 ASN H . 36349 1
85 . 1 . 1 10 10 ASN HA H 1 4.754 . . 1 . . 131 . A 10 ASN HA . 36349 1
86 . 1 . 1 10 10 ASN HB2 H 1 2.304 0.003 . 2 . . 100 . A 10 ASN HB2 . 36349 1
87 . 1 . 1 10 10 ASN HB3 H 1 2.302 0.003 . 2 . . 101 . A 10 ASN HB3 . 36349 1
88 . 1 . 1 10 10 ASN HD21 H 1 6.521 . . 1 . . 135 . A 10 ASN HD21 . 36349 1
89 . 1 . 1 10 10 ASN HD22 H 1 7.167 . . 1 . . 136 . A 10 ASN HD22 . 36349 1
90 . 1 . 1 10 10 ASN CB C 13 40.521 . . 1 . . 102 . A 10 ASN CB . 36349 1
91 . 1 . 1 10 10 ASN N N 15 113.887 . . 1 . . 103 . A 10 ASN N . 36349 1
92 . 1 . 1 11 11 ALA H H 1 7.902 0.0 . 1 . . 104 . A 11 ALA H . 36349 1
93 . 1 . 1 11 11 ALA HA H 1 4.641 . . 1 . . 108 . A 11 ALA HA . 36349 1
94 . 1 . 1 11 11 ALA HB1 H 1 1.323 . . 1 . . 105 . A 11 ALA HB1 . 36349 1
95 . 1 . 1 11 11 ALA HB2 H 1 1.323 . . 1 . . 105 . A 11 ALA HB2 . 36349 1
96 . 1 . 1 11 11 ALA HB3 H 1 1.323 . . 1 . . 105 . A 11 ALA HB3 . 36349 1
97 . 1 . 1 11 11 ALA N N 15 125.293 . . 1 . . 107 . A 11 ALA N . 36349 1
98 . 1 . 1 12 12 PRO HA H 1 4.210 0.003 . 1 . . 112 . A 12 PRO HA . 36349 1
99 . 1 . 1 12 12 PRO HB2 H 1 2.338 0.004 . 2 . . 111 . A 12 PRO HB2 . 36349 1
100 . 1 . 1 12 12 PRO HB3 H 1 1.879 . . 2 . . 116 . A 12 PRO HB3 . 36349 1
101 . 1 . 1 12 12 PRO HG2 H 1 1.900 . . 2 . . 113 . A 12 PRO HG2 . 36349 1
102 . 1 . 1 12 12 PRO HG3 H 1 2.009 . . 2 . . 114 . A 12 PRO HG3 . 36349 1
103 . 1 . 1 12 12 PRO HD2 H 1 3.729 0.0 . 2 . . 109 . A 12 PRO HD2 . 36349 1
104 . 1 . 1 12 12 PRO HD3 H 1 3.638 . . 2 . . 110 . A 12 PRO HD3 . 36349 1
105 . 1 . 1 12 12 PRO CB C 13 32.750 0.043 . 1 . . 115 . A 12 PRO CB . 36349 1
106 . 1 . 1 12 12 PRO CG C 13 27.616 0.015 . 1 . . 117 . A 12 PRO CG . 36349 1
107 . 1 . 1 13 13 GLY H H 1 6.669 . . 1 . . 1 . A 13 GLY H . 36349 1
108 . 1 . 1 13 13 GLY HA2 H 1 2.932 . . 2 . . 2 . A 13 GLY HA2 . 36349 1
109 . 1 . 1 13 13 GLY HA3 H 1 4.706 . . 2 . . 4 . A 13 GLY HA3 . 36349 1
110 . 1 . 1 13 13 GLY N N 15 100.554 . . 1 . . 3 . A 13 GLY N . 36349 1
111 . 1 . 1 14 14 TRP H H 1 8.447 0.003 . 1 . . 5 . A 14 TRP H . 36349 1
112 . 1 . 1 14 14 TRP HA H 1 4.233 . . 1 . . 6 . A 14 TRP HA . 36349 1
113 . 1 . 1 14 14 TRP HB2 H 1 2.277 . . 2 . . 7 . A 14 TRP HB2 . 36349 1
114 . 1 . 1 14 14 TRP HB3 H 1 2.158 . . 2 . . 8 . A 14 TRP HB3 . 36349 1
115 . 1 . 1 14 14 TRP HD1 H 1 6.688 0.0 . 1 . . 14 . A 14 TRP HD1 . 36349 1
116 . 1 . 1 14 14 TRP HE1 H 1 9.893 . . 1 . . 15 . A 14 TRP HE1 . 36349 1
117 . 1 . 1 14 14 TRP HZ2 H 1 7.154 . . 1 . . 125 . A 14 TRP HZ2 . 36349 1
118 . 1 . 1 14 14 TRP CD1 C 13 127.391 . . 1 . . 139 . A 14 TRP CD1 . 36349 1
119 . 1 . 1 15 15 PHE H H 1 9.238 0.002 . 1 . . 9 . A 15 PHE H . 36349 1
120 . 1 . 1 15 15 PHE HA H 1 4.825 . . 1 . . 10 . A 15 PHE HA . 36349 1
121 . 1 . 1 15 15 PHE HB2 H 1 3.450 0.003 . 2 . . 11 . A 15 PHE HB2 . 36349 1
122 . 1 . 1 15 15 PHE HB3 H 1 2.748 0.001 . 2 . . 12 . A 15 PHE HB3 . 36349 1
123 . 1 . 1 15 15 PHE HD1 H 1 7.361 0.001 . 1 . . 13 . A 15 PHE HD1 . 36349 1
124 . 1 . 1 15 15 PHE HD2 H 1 7.361 0.001 . 1 . . 13 . A 15 PHE HD2 . 36349 1
125 . 1 . 1 15 15 PHE CB C 13 42.248 . . 1 . . 60 . A 15 PHE CB . 36349 1
126 . 1 . 1 15 15 PHE CD1 C 13 132.539 . . 1 . . 140 . A 15 PHE CD1 . 36349 1
127 . 1 . 1 15 15 PHE CD2 C 13 132.539 . . 1 . . 140 . A 15 PHE CD2 . 36349 1
128 . 1 . 1 15 15 PHE N N 15 123.006 . . 1 . . 59 . A 15 PHE N . 36349 1
stop_
save_