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 36350
_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 $i4a isotropic 36350 1
2 '2D 1H-13C HSQC' 1 $i4a isotropic 36350 1
3 '2D 1H-1H TOCSY' 1 $i4a isotropic 36350 1
4 '2D 1H-1H NOESY' 1 $i4a isotropic 36350 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 4.536 0.001 . 1 . . 19 . A 1 LEU HA . 36350 1
2 . 1 . 1 1 1 LEU HB3 H 1 1.661 . . 2 . . 17 . A 1 LEU HB3 . 36350 1
3 . 1 . 1 1 1 LEU HB2 H 1 1.498 . . 2 . . 15 . A 1 LEU HB2 . 36350 1
4 . 1 . 1 1 1 LEU HG H 1 1.438 . . 1 . . 22 . A 1 LEU HG . 36350 1
5 . 1 . 1 1 1 LEU HD11 H 1 0.769 0.002 . 2 . . 20 . A 1 LEU HD11 . 36350 1
6 . 1 . 1 1 1 LEU HD12 H 1 0.769 0.002 . 2 . . 20 . A 1 LEU HD12 . 36350 1
7 . 1 . 1 1 1 LEU HD13 H 1 0.769 0.002 . 2 . . 20 . A 1 LEU HD13 . 36350 1
8 . 1 . 1 1 1 LEU HD21 H 1 0.873 0.002 . 2 . . 21 . A 1 LEU HD21 . 36350 1
9 . 1 . 1 1 1 LEU HD22 H 1 0.873 0.002 . 2 . . 21 . A 1 LEU HD22 . 36350 1
10 . 1 . 1 1 1 LEU HD23 H 1 0.873 0.002 . 2 . . 21 . A 1 LEU HD23 . 36350 1
11 . 1 . 1 1 1 LEU H1 H 1 8.119 0.0 . 1 . . 18 . A 1 LEU H1 . 36350 1
12 . 1 . 1 1 1 LEU CB C 13 44.806 0.014 . 1 . . 16 . A 1 LEU CB . 36350 1
13 . 1 . 1 1 1 LEU CG C 13 27.349 . . 1 . . 23 . A 1 LEU CG . 36350 1
14 . 1 . 1 1 1 LEU CD1 C 13 23.695 . . 2 . . 25 . A 1 LEU CD1 . 36350 1
15 . 1 . 1 1 1 LEU CD2 C 13 25.265 . . 2 . . 24 . A 1 LEU CD2 . 36350 1
16 . 1 . 1 1 1 LEU N N 15 120.615 . . 1 . . 127 . A 1 LEU N . 36350 1
17 . 1 . 1 2 2 VAL HA H 1 4.311 0.001 . 1 . . 34 . A 2 VAL HA . 36350 1
18 . 1 . 1 2 2 VAL HB H 1 1.830 0.004 . 1 . . 32 . A 2 VAL HB . 36350 1
19 . 1 . 1 2 2 VAL HG11 H 1 0.628 0.002 . 2 . . 28 . A 2 VAL HG11 . 36350 1
20 . 1 . 1 2 2 VAL HG12 H 1 0.628 0.002 . 2 . . 28 . A 2 VAL HG12 . 36350 1
21 . 1 . 1 2 2 VAL HG13 H 1 0.628 0.002 . 2 . . 28 . A 2 VAL HG13 . 36350 1
22 . 1 . 1 2 2 VAL HG21 H 1 0.930 0.001 . 2 . . 30 . A 2 VAL HG21 . 36350 1
23 . 1 . 1 2 2 VAL HG22 H 1 0.930 0.001 . 2 . . 30 . A 2 VAL HG22 . 36350 1
24 . 1 . 1 2 2 VAL HG23 H 1 0.930 0.001 . 2 . . 30 . A 2 VAL HG23 . 36350 1
25 . 1 . 1 2 2 VAL H H 1 7.915 0.0 . 1 . . 26 . A 2 VAL H . 36350 1
26 . 1 . 1 2 2 VAL CA C 13 60.945 . . 1 . . 35 . A 2 VAL CA . 36350 1
27 . 1 . 1 2 2 VAL CB C 13 31.983 . . 1 . . 33 . A 2 VAL CB . 36350 1
28 . 1 . 1 2 2 VAL CG1 C 13 20.471 . . 2 . . 29 . A 2 VAL CG1 . 36350 1
29 . 1 . 1 2 2 VAL CG2 C 13 23.151 . . 2 . . 31 . A 2 VAL CG2 . 36350 1
30 . 1 . 1 2 2 VAL N N 15 120.043 . . 1 . . 27 . A 2 VAL N . 36350 1
31 . 1 . 1 3 3 VAL HA H 1 3.985 0.001 . 1 . . 40 . A 3 VAL HA . 36350 1
32 . 1 . 1 3 3 VAL HB H 1 2.048 0.003 . 1 . . 36 . A 3 VAL HB . 36350 1
33 . 1 . 1 3 3 VAL HG11 H 1 0.897 0.004 . 2 . . 42 . A 3 VAL HG11 . 36350 1
34 . 1 . 1 3 3 VAL HG12 H 1 0.897 0.004 . 2 . . 42 . A 3 VAL HG12 . 36350 1
35 . 1 . 1 3 3 VAL HG13 H 1 0.897 0.004 . 2 . . 42 . A 3 VAL HG13 . 36350 1
36 . 1 . 1 3 3 VAL HG21 H 1 0.887 0.005 . 2 . . 44 . A 3 VAL HG21 . 36350 1
37 . 1 . 1 3 3 VAL HG22 H 1 0.887 0.005 . 2 . . 44 . A 3 VAL HG22 . 36350 1
38 . 1 . 1 3 3 VAL HG23 H 1 0.887 0.005 . 2 . . 44 . A 3 VAL HG23 . 36350 1
39 . 1 . 1 3 3 VAL H H 1 7.752 0.002 . 1 . . 38 . A 3 VAL H . 36350 1
40 . 1 . 1 3 3 VAL CA C 13 64.349 . . 1 . . 41 . A 3 VAL CA . 36350 1
41 . 1 . 1 3 3 VAL CB C 13 33.439 . . 1 . . 37 . A 3 VAL CB . 36350 1
42 . 1 . 1 3 3 VAL CG1 C 13 21.370 . . 2 . . 43 . A 3 VAL CG1 . 36350 1
43 . 1 . 1 3 3 VAL CG2 C 13 21.420 . . 2 . . 45 . A 3 VAL CG2 . 36350 1
44 . 1 . 1 3 3 VAL N N 15 119.010 . . 1 . . 39 . A 3 VAL N . 36350 1
45 . 1 . 1 4 4 ALA HA H 1 3.859 0.002 . 1 . . 81 . A 4 ALA HA . 36350 1
46 . 1 . 1 4 4 ALA HB1 H 1 1.332 0.001 . 1 . . 82 . A 4 ALA HB1 . 36350 1
47 . 1 . 1 4 4 ALA HB2 H 1 1.332 0.001 . 1 . . 82 . A 4 ALA HB2 . 36350 1
48 . 1 . 1 4 4 ALA HB3 H 1 1.332 0.001 . 1 . . 82 . A 4 ALA HB3 . 36350 1
49 . 1 . 1 4 4 ALA H H 1 7.095 0.0 . 1 . . 80 . A 4 ALA H . 36350 1
50 . 1 . 1 5 5 VAL HA H 1 3.929 . . 1 . . 71 . A 5 VAL HA . 36350 1
51 . 1 . 1 5 5 VAL HB H 1 2.508 . . 1 . . 66 . A 5 VAL HB . 36350 1
52 . 1 . 1 5 5 VAL HG11 H 1 0.959 . . 1 . . 65 . A 5 VAL HG11 . 36350 1
53 . 1 . 1 5 5 VAL HG12 H 1 0.959 . . 1 . . 65 . A 5 VAL HG12 . 36350 1
54 . 1 . 1 5 5 VAL HG13 H 1 0.959 . . 1 . . 65 . A 5 VAL HG13 . 36350 1
55 . 1 . 1 5 5 VAL HG21 H 1 0.959 . . 1 . . 68 . A 5 VAL HG21 . 36350 1
56 . 1 . 1 5 5 VAL HG22 H 1 0.959 . . 1 . . 68 . A 5 VAL HG22 . 36350 1
57 . 1 . 1 5 5 VAL HG23 H 1 0.959 . . 1 . . 68 . A 5 VAL HG23 . 36350 1
58 . 1 . 1 5 5 VAL CB C 13 31.743 . . 1 . . 67 . A 5 VAL CB . 36350 1
59 . 1 . 1 5 5 VAL CG1 C 13 21.622 . . 1 . . 69 . A 5 VAL CG1 . 36350 1
60 . 1 . 1 5 5 VAL CG2 C 13 21.622 . . 1 . . 70 . A 5 VAL CG2 . 36350 1
61 . 1 . 1 6 6 GLN HA H 1 4.301 0.002 . 1 . . 46 . A 6 GLN HA . 36350 1
62 . 1 . 1 6 6 GLN HB3 H 1 2.092 . . 2 . . 62 . A 6 GLN HB3 . 36350 1
63 . 1 . 1 6 6 GLN HB2 H 1 2.127 0.015 . 2 . . 54 . A 6 GLN HB2 . 36350 1
64 . 1 . 1 6 6 GLN HG3 H 1 2.211 . . 1 . . 63 . A 6 GLN HG3 . 36350 1
65 . 1 . 1 6 6 GLN HG2 H 1 2.211 . . 1 . . 52 . A 6 GLN HG2 . 36350 1
66 . 1 . 1 6 6 GLN HE21 H 1 6.653 . . 1 . . 102 . A 6 GLN HE21 . 36350 1
67 . 1 . 1 6 6 GLN HE22 H 1 7.162 . . 1 . . 103 . A 6 GLN HE22 . 36350 1
68 . 1 . 1 6 6 GLN H H 1 8.128 0.001 . 1 . . 64 . A 6 GLN H . 36350 1
69 . 1 . 1 6 6 GLN CA C 13 56.192 . . 1 . . 47 . A 6 GLN CA . 36350 1
70 . 1 . 1 6 6 GLN CB C 13 28.970 0.034 . 1 . . 55 . A 6 GLN CB . 36350 1
71 . 1 . 1 6 6 GLN CG C 13 33.937 . . 1 . . 53 . A 6 GLN CG . 36350 1
72 . 1 . 1 6 6 GLN N N 15 119.291 . . 1 . . 128 . A 6 GLN N . 36350 1
73 . 1 . 1 7 7 ALA HA H 1 4.228 . . 1 . . 51 . A 7 ALA HA . 36350 1
74 . 1 . 1 7 7 ALA HB1 H 1 1.380 0.002 . 1 . . 48 . A 7 ALA HB1 . 36350 1
75 . 1 . 1 7 7 ALA HB2 H 1 1.380 0.002 . 1 . . 48 . A 7 ALA HB2 . 36350 1
76 . 1 . 1 7 7 ALA HB3 H 1 1.380 0.002 . 1 . . 48 . A 7 ALA HB3 . 36350 1
77 . 1 . 1 7 7 ALA H H 1 7.833 0.002 . 1 . . 50 . A 7 ALA H . 36350 1
78 . 1 . 1 7 7 ALA CB C 13 20.487 . . 1 . . 49 . A 7 ALA CB . 36350 1
79 . 1 . 1 7 7 ALA N N 15 122.745 . . 1 . . 56 . A 7 ALA N . 36350 1
80 . 1 . 1 8 8 ASP HA H 1 4.808 . . 1 . . 60 . A 8 ASP HA . 36350 1
81 . 1 . 1 8 8 ASP HB3 H 1 2.750 0.001 . 2 . . 59 . A 8 ASP HB3 . 36350 1
82 . 1 . 1 8 8 ASP HB2 H 1 2.890 0.001 . 2 . . 57 . A 8 ASP HB2 . 36350 1
83 . 1 . 1 8 8 ASP H H 1 7.935 0.001 . 1 . . 61 . A 8 ASP H . 36350 1
84 . 1 . 1 8 8 ASP CB C 13 39.461 0.01 . 1 . . 58 . A 8 ASP CB . 36350 1
85 . 1 . 1 9 9 TRP HA H 1 4.390 0.001 . 1 . . 87 . A 9 TRP HA . 36350 1
86 . 1 . 1 9 9 TRP HB3 H 1 3.137 0.006 . 2 . . 12 . A 9 TRP HB3 . 36350 1
87 . 1 . 1 9 9 TRP HB2 H 1 3.311 0.004 . 2 . . 10 . A 9 TRP HB2 . 36350 1
88 . 1 . 1 9 9 TRP HD1 H 1 7.248 0.002 . 1 . . 2 . A 9 TRP HD1 . 36350 1
89 . 1 . 1 9 9 TRP HE1 H 1 10.239 0.004 . 1 . . 1 . A 9 TRP HE1 . 36350 1
90 . 1 . 1 9 9 TRP HE3 H 1 7.564 . . 1 . . 117 . A 9 TRP HE3 . 36350 1
91 . 1 . 1 9 9 TRP HZ2 H 1 7.477 . . 1 . . 119 . A 9 TRP HZ2 . 36350 1
92 . 1 . 1 9 9 TRP HZ3 H 1 7.120 . . 1 . . 124 . A 9 TRP HZ3 . 36350 1
93 . 1 . 1 9 9 TRP HH2 H 1 7.219 . . 1 . . 120 . A 9 TRP HH2 . 36350 1
94 . 1 . 1 9 9 TRP H H 1 7.697 . . 1 . . 13 . A 9 TRP H . 36350 1
95 . 1 . 1 9 9 TRP CA C 13 59.721 . . 1 . . 88 . A 9 TRP CA . 36350 1
96 . 1 . 1 9 9 TRP CB C 13 29.033 0.001 . 1 . . 11 . A 9 TRP CB . 36350 1
97 . 1 . 1 9 9 TRP CZ3 C 13 122.159 . . 1 . . 125 . A 9 TRP CZ3 . 36350 1
98 . 1 . 1 9 9 TRP NE1 N 15 130.021 . . 1 . . 3 . A 9 TRP NE1 . 36350 1
99 . 1 . 1 10 10 ASN HA H 1 4.703 . . 1 . . 90 . A 10 ASN HA . 36350 1
100 . 1 . 1 10 10 ASN HB3 H 1 2.235 . . 2 . . 93 . A 10 ASN HB3 . 36350 1
101 . 1 . 1 10 10 ASN HB2 H 1 2.300 . . 2 . . 91 . A 10 ASN HB2 . 36350 1
102 . 1 . 1 10 10 ASN HD21 H 1 6.554 . . 1 . . 100 . A 10 ASN HD21 . 36350 1
103 . 1 . 1 10 10 ASN HD22 H 1 7.122 . . 1 . . 101 . A 10 ASN HD22 . 36350 1
104 . 1 . 1 10 10 ASN H H 1 7.879 . . 1 . . 89 . A 10 ASN H . 36350 1
105 . 1 . 1 10 10 ASN CB C 13 40.291 0.031 . 1 . . 92 . A 10 ASN CB . 36350 1
106 . 1 . 1 11 11 ALA HA H 1 4.682 . . 1 . . 97 . A 11 ALA HA . 36350 1
107 . 1 . 1 11 11 ALA HB1 H 1 1.291 0.001 . 1 . . 95 . A 11 ALA HB1 . 36350 1
108 . 1 . 1 11 11 ALA HB2 H 1 1.291 0.001 . 1 . . 95 . A 11 ALA HB2 . 36350 1
109 . 1 . 1 11 11 ALA HB3 H 1 1.291 0.001 . 1 . . 95 . A 11 ALA HB3 . 36350 1
110 . 1 . 1 11 11 ALA H H 1 8.078 0.0 . 1 . . 94 . A 11 ALA H . 36350 1
111 . 1 . 1 11 11 ALA CB C 13 20.250 . . 1 . . 96 . A 11 ALA CB . 36350 1
112 . 1 . 1 11 11 ALA N N 15 124.245 . . 1 . . 126 . A 11 ALA N . 36350 1
113 . 1 . 1 12 12 PRO HA H 1 4.528 . . 1 . . 113 . A 12 PRO HA . 36350 1
114 . 1 . 1 12 12 PRO HB3 H 1 2.088 . . 2 . . 109 . A 12 PRO HB3 . 36350 1
115 . 1 . 1 12 12 PRO HB2 H 1 2.201 . . 2 . . 107 . A 12 PRO HB2 . 36350 1
116 . 1 . 1 12 12 PRO HG3 H 1 1.992 . . 1 . . 111 . A 12 PRO HG3 . 36350 1
117 . 1 . 1 12 12 PRO HG2 H 1 1.992 . . 1 . . 110 . A 12 PRO HG2 . 36350 1
118 . 1 . 1 12 12 PRO HD3 H 1 3.586 . . 2 . . 106 . A 12 PRO HD3 . 36350 1
119 . 1 . 1 12 12 PRO HD2 H 1 3.638 0.001 . 2 . . 104 . A 12 PRO HD2 . 36350 1
120 . 1 . 1 12 12 PRO CB C 13 31.244 0.02 . 1 . . 108 . A 12 PRO CB . 36350 1
121 . 1 . 1 12 12 PRO CG C 13 27.764 . . 1 . . 112 . A 12 PRO CG . 36350 1
122 . 1 . 1 12 12 PRO CD C 13 50.496 0.023 . 1 . . 105 . A 12 PRO CD . 36350 1
123 . 1 . 1 13 13 GLY HA3 H 1 3.311 0.003 . 2 . . 79 . A 13 GLY HA3 . 36350 1
124 . 1 . 1 13 13 GLY HA2 H 1 4.072 0.002 . 2 . . 77 . A 13 GLY HA2 . 36350 1
125 . 1 . 1 13 13 GLY H H 1 7.389 0.001 . 1 . . 83 . A 13 GLY H . 36350 1
126 . 1 . 1 13 13 GLY CA C 13 46.038 0.026 . 1 . . 78 . A 13 GLY CA . 36350 1
127 . 1 . 1 14 14 TRP HA H 1 4.680 . . 1 . . 85 . A 14 TRP HA . 36350 1
128 . 1 . 1 14 14 TRP HB3 H 1 2.995 0.002 . 2 . . 8 . A 14 TRP HB3 . 36350 1
129 . 1 . 1 14 14 TRP HB2 H 1 3.443 0.004 . 2 . . 7 . A 14 TRP HB2 . 36350 1
130 . 1 . 1 14 14 TRP HD1 H 1 6.568 0.0 . 1 . . 5 . A 14 TRP HD1 . 36350 1
131 . 1 . 1 14 14 TRP HE1 H 1 10.123 0.005 . 1 . . 4 . A 14 TRP HE1 . 36350 1
132 . 1 . 1 14 14 TRP HE3 H 1 7.543 . . 1 . . 118 . A 14 TRP HE3 . 36350 1
133 . 1 . 1 14 14 TRP HZ2 H 1 7.477 0.0 . 1 . . 115 . A 14 TRP HZ2 . 36350 1
134 . 1 . 1 14 14 TRP HZ3 H 1 7.129 . . 1 . . 122 . A 14 TRP HZ3 . 36350 1
135 . 1 . 1 14 14 TRP HH2 H 1 7.219 . . 1 . . 121 . A 14 TRP HH2 . 36350 1
136 . 1 . 1 14 14 TRP H H 1 8.319 0.001 . 1 . . 14 . A 14 TRP H . 36350 1
137 . 1 . 1 14 14 TRP CB C 13 31.348 0.028 . 1 . . 9 . A 14 TRP CB . 36350 1
138 . 1 . 1 14 14 TRP CD1 C 13 126.924 . . 1 . . 114 . A 14 TRP CD1 . 36350 1
139 . 1 . 1 14 14 TRP CZ2 C 13 114.816 . . 1 . . 116 . A 14 TRP CZ2 . 36350 1
140 . 1 . 1 14 14 TRP CZ3 C 13 122.059 . . 1 . . 123 . A 14 TRP CZ3 . 36350 1
141 . 1 . 1 14 14 TRP N N 15 119.650 . . 1 . . 86 . A 14 TRP N . 36350 1
142 . 1 . 1 14 14 TRP NE1 N 15 129.502 . . 1 . . 6 . A 14 TRP NE1 . 36350 1
143 . 1 . 1 15 15 PHE HA H 1 4.447 0.0 . 1 . . 75 . A 15 PHE HA . 36350 1
144 . 1 . 1 15 15 PHE HB3 H 1 2.834 0.006 . 2 . . 74 . A 15 PHE HB3 . 36350 1
145 . 1 . 1 15 15 PHE HB2 H 1 3.081 0.003 . 2 . . 72 . A 15 PHE HB2 . 36350 1
146 . 1 . 1 15 15 PHE HD1 H 1 7.099 0.001 . 1 . . 98 . A 15 PHE HD1 . 36350 1
147 . 1 . 1 15 15 PHE HD2 H 1 7.099 0.001 . 1 . . 98 . A 15 PHE HD2 . 36350 1
148 . 1 . 1 15 15 PHE HE1 H 1 7.222 . . 1 . . 99 . A 15 PHE HE1 . 36350 1
149 . 1 . 1 15 15 PHE HE2 H 1 7.222 . . 1 . . 99 . A 15 PHE HE2 . 36350 1
150 . 1 . 1 15 15 PHE H H 1 7.706 0.0 . 1 . . 84 . A 15 PHE H . 36350 1
151 . 1 . 1 15 15 PHE CA C 13 58.567 . . 1 . . 76 . A 15 PHE CA . 36350 1
152 . 1 . 1 15 15 PHE CB C 13 41.063 0.022 . 1 . . 73 . A 15 PHE CB . 36350 1
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