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 25524
_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_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-1H TOCSY' . . . 25524 1
3 '2D 1H-15N HSQC' . . . 25524 1
4 '2D 1H-13C HSQC' . . . 25524 1
5 '2D 1H-13C HSQC aromatic' . . . 25524 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
2 $XEASY . . 25524 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 GLY HA2 H 1 3.854 0.010 . 2 . . . A 1 GLY HA2 . 25524 1
2 . 1 1 1 1 GLY HA3 H 1 3.854 0.010 . 2 . . . A 1 GLY HA3 . 25524 1
3 . 1 1 1 1 GLY CA C 13 44.687 0.100 . 1 . . . A 1 GLY CA . 25524 1
4 . 1 1 2 2 ASN HA H 1 4.802 0.004 . 1 . . . A 2 ASN HA . 25524 1
5 . 1 1 2 2 ASN HB2 H 1 2.861 0.007 . 2 . . . A 2 ASN HB2 . 25524 1
6 . 1 1 2 2 ASN HB3 H 1 2.861 0.007 . 2 . . . A 2 ASN HB3 . 25524 1
7 . 1 1 2 2 ASN HD21 H 1 7.164 0.013 . 2 . . . A 2 ASN HD21 . 25524 1
8 . 1 1 2 2 ASN HD22 H 1 6.382 0.012 . 2 . . . A 2 ASN HD22 . 25524 1
9 . 1 1 2 2 ASN CA C 13 54.527 0.100 . 1 . . . A 2 ASN CA . 25524 1
10 . 1 1 2 2 ASN CB C 13 39.538 0.100 . 1 . . . A 2 ASN CB . 25524 1
11 . 1 1 2 2 ASN ND2 N 15 108.785 0.107 . 1 . . . A 2 ASN ND2 . 25524 1
12 . 1 1 3 3 HIS H H 1 8.468 0.013 . 1 . . . A 3 HIS H . 25524 1
13 . 1 1 3 3 HIS HA H 1 4.470 0.004 . 1 . . . A 3 HIS HA . 25524 1
14 . 1 1 3 3 HIS HB2 H 1 3.278 0.012 . 2 . . . A 3 HIS HB2 . 25524 1
15 . 1 1 3 3 HIS HB3 H 1 3.278 0.012 . 2 . . . A 3 HIS HB3 . 25524 1
16 . 1 1 3 3 HIS HD2 H 1 7.115 0.011 . 1 . . . A 3 HIS HD2 . 25524 1
17 . 1 1 3 3 HIS HE1 H 1 8.047 0.027 . 1 . . . A 3 HIS HE1 . 25524 1
18 . 1 1 3 3 HIS CA C 13 58.801 0.100 . 1 . . . A 3 HIS CA . 25524 1
19 . 1 1 3 3 HIS CB C 13 29.593 0.100 . 1 . . . A 3 HIS CB . 25524 1
20 . 1 1 3 3 HIS CD2 C 13 120.840 0.100 . 1 . . . A 3 HIS CD2 . 25524 1
21 . 1 1 3 3 HIS CE1 C 13 137.679 0.100 . 1 . . . A 3 HIS CE1 . 25524 1
22 . 1 1 3 3 HIS N N 15 119.480 0.100 . 1 . . . A 3 HIS N . 25524 1
23 . 1 1 4 4 TRP H H 1 8.045 0.013 . 1 . . . A 4 TRP H . 25524 1
24 . 1 1 4 4 TRP HA H 1 4.480 0.005 . 1 . . . A 4 TRP HA . 25524 1
25 . 1 1 4 4 TRP HB2 H 1 3.401 0.014 . 2 . . . A 4 TRP HB2 . 25524 1
26 . 1 1 4 4 TRP HB3 H 1 3.401 0.004 . 2 . . . A 4 TRP HB3 . 25524 1
27 . 1 1 4 4 TRP HD1 H 1 7.188 0.004 . 1 . . . A 4 TRP HD1 . 25524 1
28 . 1 1 4 4 TRP HE1 H 1 9.480 0.011 . 1 . . . A 4 TRP HE1 . 25524 1
29 . 1 1 4 4 TRP HE3 H 1 7.573 0.012 . 1 . . . A 4 TRP HE3 . 25524 1
30 . 1 1 4 4 TRP HZ2 H 1 7.364 0.004 . 1 . . . A 4 TRP HZ2 . 25524 1
31 . 1 1 4 4 TRP HZ3 H 1 7.140 0.010 . 1 . . . A 4 TRP HZ3 . 25524 1
32 . 1 1 4 4 TRP HH2 H 1 7.207 0.010 . 1 . . . A 4 TRP HH2 . 25524 1
33 . 1 1 4 4 TRP CA C 13 60.772 0.100 . 1 . . . A 4 TRP CA . 25524 1
34 . 1 1 4 4 TRP CB C 13 30.295 0.100 . 1 . . . A 4 TRP CB . 25524 1
35 . 1 1 4 4 TRP CD1 C 13 127.991 0.100 . 1 . . . A 4 TRP CD1 . 25524 1
36 . 1 1 4 4 TRP CE3 C 13 121.665 0.100 . 1 . . . A 4 TRP CE3 . 25524 1
37 . 1 1 4 4 TRP CZ2 C 13 115.579 0.100 . 1 . . . A 4 TRP CZ2 . 25524 1
38 . 1 1 4 4 TRP CZ3 C 13 123.243 0.100 . 1 . . . A 4 TRP CZ3 . 25524 1
39 . 1 1 4 4 TRP CH2 C 13 125.968 0.100 . 1 . . . A 4 TRP CH2 . 25524 1
40 . 1 1 4 4 TRP N N 15 120.668 0.100 . 1 . . . A 4 TRP N . 25524 1
41 . 1 1 4 4 TRP NE1 N 15 126.917 0.100 . 1 . . . A 4 TRP NE1 . 25524 1
42 . 1 1 5 5 ALA H H 1 8.024 0.013 . 1 . . . A 5 ALA H . 25524 1
43 . 1 1 5 5 ALA HA H 1 4.163 0.012 . 1 . . . A 5 ALA HA . 25524 1
44 . 1 1 5 5 ALA HB1 H 1 1.469 0.013 . 1 . . . A 5 ALA HB1 . 25524 1
45 . 1 1 5 5 ALA HB2 H 1 1.469 0.013 . 1 . . . A 5 ALA HB2 . 25524 1
46 . 1 1 5 5 ALA HB3 H 1 1.469 0.013 . 1 . . . A 5 ALA HB3 . 25524 1
47 . 1 1 5 5 ALA CA C 13 56.130 0.100 . 1 . . . A 5 ALA CA . 25524 1
48 . 1 1 5 5 ALA CB C 13 19.116 0.100 . 1 . . . A 5 ALA CB . 25524 1
49 . 1 1 5 5 ALA N N 15 123.184 0.100 . 1 . . . A 5 ALA N . 25524 1
50 . 1 1 6 6 VAL H H 1 7.741 0.005 . 1 . . . A 6 VAL H . 25524 1
51 . 1 1 6 6 VAL HA H 1 3.790 0.011 . 1 . . . A 6 VAL HA . 25524 1
52 . 1 1 6 6 VAL HB H 1 2.092 0.004 . 1 . . . A 6 VAL HB . 25524 1
53 . 1 1 6 6 VAL HG11 H 1 0.981 0.004 . 1 . . . A 6 VAL HG11 . 25524 1
54 . 1 1 6 6 VAL HG12 H 1 0.981 0.004 . 1 . . . A 6 VAL HG12 . 25524 1
55 . 1 1 6 6 VAL HG13 H 1 0.981 0.004 . 1 . . . A 6 VAL HG13 . 25524 1
56 . 1 1 6 6 VAL HG21 H 1 1.063 0.004 . 1 . . . A 6 VAL HG21 . 25524 1
57 . 1 1 6 6 VAL HG22 H 1 1.063 0.004 . 1 . . . A 6 VAL HG22 . 25524 1
58 . 1 1 6 6 VAL HG23 H 1 1.063 0.004 . 1 . . . A 6 VAL HG23 . 25524 1
59 . 1 1 6 6 VAL CA C 13 66.564 0.100 . 1 . . . A 6 VAL CA . 25524 1
60 . 1 1 6 6 VAL CB C 13 33.200 0.100 . 1 . . . A 6 VAL CB . 25524 1
61 . 1 1 6 6 VAL CG1 C 13 21.640 0.100 . 1 . . . A 6 VAL CG1 . 25524 1
62 . 1 1 6 6 VAL CG2 C 13 22.365 0.100 . 1 . . . A 6 VAL CG2 . 25524 1
63 . 1 1 6 6 VAL N N 15 117.130 0.100 . 1 . . . A 6 VAL N . 25524 1
64 . 1 1 7 7 GLY H H 1 8.122 0.012 . 1 . . . A 7 GLY H . 25524 1
65 . 1 1 7 7 GLY HA2 H 1 3.799 0.014 . 2 . . . A 7 GLY HA2 . 25524 1
66 . 1 1 7 7 GLY HA3 H 1 3.799 0.014 . 2 . . . A 7 GLY HA3 . 25524 1
67 . 1 1 7 7 GLY CA C 13 47.124 0.100 . 1 . . . A 7 GLY CA . 25524 1
68 . 1 1 7 7 GLY N N 15 106.931 0.100 . 1 . . . A 7 GLY N . 25524 1
69 . 1 1 8 8 HIS H H 1 7.753 0.005 . 1 . . . A 8 HIS H . 25524 1
70 . 1 1 8 8 HIS HA H 1 4.473 0.013 . 1 . . . A 8 HIS HA . 25524 1
71 . 1 1 8 8 HIS HB2 H 1 3.193 0.008 . 2 . . . A 8 HIS HB2 . 25524 1
72 . 1 1 8 8 HIS HB3 H 1 2.962 0.012 . 2 . . . A 8 HIS HB3 . 25524 1
73 . 1 1 8 8 HIS HD2 H 1 7.124 0.009 . 1 . . . A 8 HIS HD2 . 25524 1
74 . 1 1 8 8 HIS HE1 H 1 8.090 0.010 . 1 . . . A 8 HIS HE1 . 25524 1
75 . 1 1 8 8 HIS CA C 13 59.237 0.100 . 1 . . . A 8 HIS CA . 25524 1
76 . 1 1 8 8 HIS CB C 13 29.453 0.101 . 1 . . . A 8 HIS CB . 25524 1
77 . 1 1 8 8 HIS CD2 C 13 123.191 0.100 . 1 . . . A 8 HIS CD2 . 25524 1
78 . 1 1 8 8 HIS CE1 C 13 137.515 0.100 . 1 . . . A 8 HIS CE1 . 25524 1
79 . 1 1 8 8 HIS N N 15 115.776 0.100 . 1 . . . A 8 HIS N . 25524 1
80 . 1 1 9 9 LEU H H 1 8.021 0.004 . 1 . . . A 9 LEU H . 25524 1
81 . 1 1 9 9 LEU HA H 1 4.329 0.005 . 1 . . . A 9 LEU HA . 25524 1
82 . 1 1 9 9 LEU HB2 H 1 1.821 0.004 . 2 . . . A 9 LEU HB2 . 25524 1
83 . 1 1 9 9 LEU HB3 H 1 1.635 0.011 . 2 . . . A 9 LEU HB3 . 25524 1
84 . 1 1 9 9 LEU HG H 1 1.716 0.004 . 1 . . . A 9 LEU HG . 25524 1
85 . 1 1 9 9 LEU HD11 H 1 0.946 0.004 . 1 . . . A 9 LEU HD11 . 25524 1
86 . 1 1 9 9 LEU HD12 H 1 0.946 0.004 . 1 . . . A 9 LEU HD12 . 25524 1
87 . 1 1 9 9 LEU HD13 H 1 0.946 0.004 . 1 . . . A 9 LEU HD13 . 25524 1
88 . 1 1 9 9 LEU HD21 H 1 0.921 0.004 . 1 . . . A 9 LEU HD21 . 25524 1
89 . 1 1 9 9 LEU HD22 H 1 0.921 0.004 . 1 . . . A 9 LEU HD22 . 25524 1
90 . 1 1 9 9 LEU HD23 H 1 0.921 0.004 . 1 . . . A 9 LEU HD23 . 25524 1
91 . 1 1 9 9 LEU CA C 13 57.601 0.100 . 1 . . . A 9 LEU CA . 25524 1
92 . 1 1 9 9 LEU CB C 13 43.567 0.100 . 1 . . . A 9 LEU CB . 25524 1
93 . 1 1 9 9 LEU CG C 13 28.100 0.100 . 1 . . . A 9 LEU CG . 25524 1
94 . 1 1 9 9 LEU CD1 C 13 25.242 0.100 . 1 . . . A 9 LEU CD1 . 25524 1
95 . 1 1 9 9 LEU CD2 C 13 23.583 0.100 . 1 . . . A 9 LEU CD2 . 25524 1
96 . 1 1 9 9 LEU N N 15 120.807 0.100 . 1 . . . A 9 LEU N . 25524 1
97 . 1 1 10 10 MET H H 1 7.901 0.005 . 1 . . . A 10 MET H . 25524 1
98 . 1 1 10 10 MET HA H 1 4.479 0.006 . 1 . . . A 10 MET HA . 25524 1
99 . 1 1 10 10 MET HB2 H 1 2.160 0.005 . 2 . . . A 10 MET HB2 . 25524 1
100 . 1 1 10 10 MET HB3 H 1 2.069 0.005 . 2 . . . A 10 MET HB3 . 25524 1
101 . 1 1 10 10 MET HG2 H 1 2.633 0.004 . 2 . . . A 10 MET HG2 . 25524 1
102 . 1 1 10 10 MET HG3 H 1 2.564 0.003 . 2 . . . A 10 MET HG3 . 25524 1
103 . 1 1 10 10 MET HE1 H 1 2.045 0.016 . 1 . . . A 10 MET HE1 . 25524 1
104 . 1 1 10 10 MET HE2 H 1 2.045 0.016 . 1 . . . A 10 MET HE2 . 25524 1
105 . 1 1 10 10 MET HE3 H 1 2.045 0.016 . 1 . . . A 10 MET HE3 . 25524 1
106 . 1 1 10 10 MET CA C 13 56.484 0.100 . 1 . . . A 10 MET CA . 25524 1
107 . 1 1 10 10 MET CB C 13 33.932 0.100 . 1 . . . A 10 MET CB . 25524 1
108 . 1 1 10 10 MET CG C 13 33.256 0.100 . 1 . . . A 10 MET CG . 25524 1
109 . 1 1 10 10 MET CE C 13 17.170 0.100 . 1 . . . A 10 MET CE . 25524 1
110 . 1 1 10 10 MET N N 15 117.573 0.100 . 1 . . . A 10 MET N . 25524 1
111 . 1 1 11 11 NH2 HN1 H 1 7.062 0.010 . 2 . . . . 11 NH2 HN1 . 25524 1
112 . 1 1 11 11 NH2 HN2 H 1 6.501 0.010 . 2 . . . . 11 NH2 HN2 . 25524 1
113 . 1 1 11 11 NH2 N N 15 103.801 0.100 . 1 . . . . 11 NH2 N . 25524 1
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save_