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 25520
_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' . . . 25520 1
3 '2D 1H-15N HSQC' . . . 25520 1
4 '2D 1H-13C HSQC' . . . 25520 1
5 '2D 1H-13C HSQC aromatic' . . . 25520 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 . . 25520 1
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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 3.808 0.010 . 2 . . . A 1 GLY HA2 . 25520 1
2 . 1 1 1 1 GLY HA3 H 1 3.808 0.010 . 2 . . . A 1 GLY HA3 . 25520 1
3 . 1 1 1 1 GLY CA C 13 43.357 0.100 . 1 . . . A 1 GLY CA . 25520 1
4 . 1 1 2 2 ASN H H 1 8.660 0.010 . 1 . . . A 2 ASN H . 25520 1
5 . 1 1 2 2 ASN HA H 1 4.638 0.010 . 1 . . . A 2 ASN HA . 25520 1
6 . 1 1 2 2 ASN HB2 H 1 2.546 0.010 . 2 . . . A 2 ASN HB2 . 25520 1
7 . 1 1 2 2 ASN HB3 H 1 2.546 0.010 . 2 . . . A 2 ASN HB3 . 25520 1
8 . 1 1 2 2 ASN HD21 H 1 6.906 0.010 . 2 . . . A 2 ASN HD21 . 25520 1
9 . 1 1 2 2 ASN HD22 H 1 7.536 0.013 . 2 . . . A 2 ASN HD22 . 25520 1
10 . 1 1 2 2 ASN CA C 13 53.289 0.100 . 1 . . . A 2 ASN CA . 25520 1
11 . 1 1 2 2 ASN CB C 13 38.910 0.100 . 1 . . . A 2 ASN CB . 25520 1
12 . 1 1 2 2 ASN N N 15 118.479 0.100 . 1 . . . A 2 ASN N . 25520 1
13 . 1 1 2 2 ASN ND2 N 15 113.171 0.100 . 1 . . . A 2 ASN ND2 . 25520 1
14 . 1 1 3 3 HIS H H 1 8.574 0.010 . 1 . . . A 3 HIS H . 25520 1
15 . 1 1 3 3 HIS HA H 1 4.608 0.010 . 1 . . . A 3 HIS HA . 25520 1
16 . 1 1 3 3 HIS HB2 H 1 3.061 0.010 . 2 . . . A 3 HIS HB2 . 25520 1
17 . 1 1 3 3 HIS HB3 H 1 3.127 0.010 . 2 . . . A 3 HIS HB3 . 25520 1
18 . 1 1 3 3 HIS HD2 H 1 7.095 0.011 . 1 . . . A 3 HIS HD2 . 25520 1
19 . 1 1 3 3 HIS HE1 H 1 8.466 0.010 . 1 . . . A 3 HIS HE1 . 25520 1
20 . 1 1 3 3 HIS CA C 13 55.510 0.100 . 1 . . . A 3 HIS CA . 25520 1
21 . 1 1 3 3 HIS CB C 13 28.993 0.100 . 1 . . . A 3 HIS CB . 25520 1
22 . 1 1 3 3 HIS CD2 C 13 120.143 0.100 . 1 . . . A 3 HIS CD2 . 25520 1
23 . 1 1 3 3 HIS CE1 C 13 136.446 0.100 . 1 . . . A 3 HIS CE1 . 25520 1
24 . 1 1 3 3 HIS N N 15 119.562 0.100 . 1 . . . A 3 HIS N . 25520 1
25 . 1 1 4 4 TRP H H 1 8.151 0.011 . 1 . . . A 4 TRP H . 25520 1
26 . 1 1 4 4 TRP HA H 1 4.667 0.010 . 1 . . . A 4 TRP HA . 25520 1
27 . 1 1 4 4 TRP HB2 H 1 3.183 0.010 . 1 . . . A 4 TRP HB2 . 25520 1
28 . 1 1 4 4 TRP HB3 H 1 3.270 0.010 . 1 . . . A 4 TRP HB3 . 25520 1
29 . 1 1 4 4 TRP HD1 H 1 7.217 0.010 . 1 . . . A 4 TRP HD1 . 25520 1
30 . 1 1 4 4 TRP HE1 H 1 10.135 0.010 . 1 . . . A 4 TRP HE1 . 25520 1
31 . 1 1 4 4 TRP HE3 H 1 7.569 0.011 . 1 . . . A 4 TRP HE3 . 25520 1
32 . 1 1 4 4 TRP HZ2 H 1 7.469 0.010 . 1 . . . A 4 TRP HZ2 . 25520 1
33 . 1 1 4 4 TRP HZ3 H 1 7.136 0.010 . 1 . . . A 4 TRP HZ3 . 25520 1
34 . 1 1 4 4 TRP HH2 H 1 7.228 0.010 . 1 . . . A 4 TRP HH2 . 25520 1
35 . 1 1 4 4 TRP CA C 13 57.294 0.100 . 1 . . . A 4 TRP CA . 25520 1
36 . 1 1 4 4 TRP CB C 13 29.991 0.100 . 1 . . . A 4 TRP CB . 25520 1
37 . 1 1 4 4 TRP CD1 C 13 127.390 0.100 . 1 . . . A 4 TRP CD1 . 25520 1
38 . 1 1 4 4 TRP CE3 C 13 120.954 0.100 . 1 . . . A 4 TRP CE3 . 25520 1
39 . 1 1 4 4 TRP CZ2 C 13 114.695 0.100 . 1 . . . A 4 TRP CZ2 . 25520 1
40 . 1 1 4 4 TRP CZ3 C 13 122.145 0.100 . 1 . . . A 4 TRP CZ3 . 25520 1
41 . 1 1 4 4 TRP CH2 C 13 124.780 0.100 . 1 . . . A 4 TRP CH2 . 25520 1
42 . 1 1 4 4 TRP N N 15 122.216 0.100 . 1 . . . A 4 TRP N . 25520 1
43 . 1 1 4 4 TRP NE1 N 15 129.298 0.100 . 1 . . . A 4 TRP NE1 . 25520 1
44 . 1 1 5 5 ALA H H 1 8.227 0.010 . 1 . . . A 5 ALA H . 25520 1
45 . 1 1 5 5 ALA HA H 1 4.318 0.010 . 1 . . . A 5 ALA HA . 25520 1
46 . 1 1 5 5 ALA HB1 H 1 1.325 0.010 . 1 . . . A 5 ALA HB1 . 25520 1
47 . 1 1 5 5 ALA HB2 H 1 1.325 0.010 . 1 . . . A 5 ALA HB2 . 25520 1
48 . 1 1 5 5 ALA HB3 H 1 1.325 0.010 . 1 . . . A 5 ALA HB3 . 25520 1
49 . 1 1 5 5 ALA CA C 13 52.482 0.100 . 1 . . . A 5 ALA CA . 25520 1
50 . 1 1 5 5 ALA CB C 13 19.435 0.100 . 1 . . . A 5 ALA CB . 25520 1
51 . 1 1 5 5 ALA N N 15 125.699 0.100 . 1 . . . A 5 ALA N . 25520 1
52 . 1 1 6 6 VAL H H 1 8.062 0.010 . 1 . . . A 6 VAL H . 25520 1
53 . 1 1 6 6 VAL HA H 1 3.999 0.010 . 1 . . . A 6 VAL HA . 25520 1
54 . 1 1 6 6 VAL HB H 1 2.059 0.010 . 1 . . . A 6 VAL HB . 25520 1
55 . 1 1 6 6 VAL HG11 H 1 0.980 0.010 . 2 . . . A 6 VAL HG11 . 25520 1
56 . 1 1 6 6 VAL HG12 H 1 0.980 0.010 . 2 . . . A 6 VAL HG12 . 25520 1
57 . 1 1 6 6 VAL HG13 H 1 0.980 0.010 . 2 . . . A 6 VAL HG13 . 25520 1
58 . 1 1 6 6 VAL HG21 H 1 0.940 0.010 . 2 . . . A 6 VAL HG21 . 25520 1
59 . 1 1 6 6 VAL HG22 H 1 0.940 0.010 . 2 . . . A 6 VAL HG22 . 25520 1
60 . 1 1 6 6 VAL HG23 H 1 0.940 0.010 . 2 . . . A 6 VAL HG23 . 25520 1
61 . 1 1 6 6 VAL CA C 13 62.981 0.100 . 1 . . . A 6 VAL CA . 25520 1
62 . 1 1 6 6 VAL CB C 13 32.674 0.100 . 1 . . . A 6 VAL CB . 25520 1
63 . 1 1 6 6 VAL CG1 C 13 20.770 0.100 . 1 . . . A 6 VAL CG1 . 25520 1
64 . 1 1 6 6 VAL CG2 C 13 21.114 0.100 . 1 . . . A 6 VAL CG2 . 25520 1
65 . 1 1 6 6 VAL N N 15 119.498 0.100 . 1 . . . A 6 VAL N . 25520 1
66 . 1 1 7 7 GLY H H 1 8.486 0.010 . 1 . . . A 7 GLY H . 25520 1
67 . 1 1 7 7 GLY HA2 H 1 3.902 0.010 . 2 . . . A 7 GLY HA2 . 25520 1
68 . 1 1 7 7 GLY HA3 H 1 3.902 0.010 . 2 . . . A 7 GLY HA3 . 25520 1
69 . 1 1 7 7 GLY CA C 13 45.167 0.100 . 1 . . . A 7 GLY CA . 25520 1
70 . 1 1 7 7 GLY N N 15 112.204 0.100 . 1 . . . A 7 GLY N . 25520 1
71 . 1 1 8 8 HIS H H 1 8.277 0.010 . 1 . . . A 8 HIS H . 25520 1
72 . 1 1 8 8 HIS HA H 1 4.636 0.010 . 1 . . . A 8 HIS HA . 25520 1
73 . 1 1 8 8 HIS HB2 H 1 3.233 0.010 . 1 . . . A 8 HIS HB2 . 25520 1
74 . 1 1 8 8 HIS HB3 H 1 3.104 0.010 . 1 . . . A 8 HIS HB3 . 25520 1
75 . 1 1 8 8 HIS HD2 H 1 7.173 0.010 . 1 . . . A 8 HIS HD2 . 25520 1
76 . 1 1 8 8 HIS HE1 H 1 8.478 0.010 . 1 . . . A 8 HIS HE1 . 25520 1
77 . 1 1 8 8 HIS CA C 13 55.510 0.100 . 1 . . . A 8 HIS CA . 25520 1
78 . 1 1 8 8 HIS CB C 13 29.004 0.100 . 1 . . . A 8 HIS CB . 25520 1
79 . 1 1 8 8 HIS CD2 C 13 120.168 0.100 . 1 . . . A 8 HIS CD2 . 25520 1
80 . 1 1 8 8 HIS CE1 C 13 136.444 0.100 . 1 . . . A 8 HIS CE1 . 25520 1
81 . 1 1 8 8 HIS N N 15 118.178 0.100 . 1 . . . A 8 HIS N . 25520 1
82 . 1 1 9 9 LEU H H 1 8.359 0.010 . 1 . . . A 9 LEU H . 25520 1
83 . 1 1 9 9 LEU HA H 1 4.304 0.010 . 1 . . . A 9 LEU HA . 25520 1
84 . 1 1 9 9 LEU HB2 H 1 1.555 0.010 . 1 . . . A 9 LEU HB2 . 25520 1
85 . 1 1 9 9 LEU HB3 H 1 1.626 0.010 . 1 . . . A 9 LEU HB3 . 25520 1
86 . 1 1 9 9 LEU HG H 1 1.569 0.010 . 1 . . . A 9 LEU HG . 25520 1
87 . 1 1 9 9 LEU HD11 H 1 0.903 0.010 . 2 . . . A 9 LEU HD11 . 25520 1
88 . 1 1 9 9 LEU HD12 H 1 0.903 0.010 . 2 . . . A 9 LEU HD12 . 25520 1
89 . 1 1 9 9 LEU HD13 H 1 0.903 0.010 . 2 . . . A 9 LEU HD13 . 25520 1
90 . 1 1 9 9 LEU HD21 H 1 0.850 0.010 . 2 . . . A 9 LEU HD21 . 25520 1
91 . 1 1 9 9 LEU HD22 H 1 0.850 0.010 . 2 . . . A 9 LEU HD22 . 25520 1
92 . 1 1 9 9 LEU HD23 H 1 0.850 0.010 . 2 . . . A 9 LEU HD23 . 25520 1
93 . 1 1 9 9 LEU CA C 13 55.544 0.100 . 1 . . . A 9 LEU CA . 25520 1
94 . 1 1 9 9 LEU CB C 13 42.220 0.100 . 1 . . . A 9 LEU CB . 25520 1
95 . 1 1 9 9 LEU CG C 13 26.821 0.100 . 1 . . . A 9 LEU CG . 25520 1
96 . 1 1 9 9 LEU CD1 C 13 24.896 0.100 . 1 . . . A 9 LEU CD1 . 25520 1
97 . 1 1 9 9 LEU CD2 C 13 23.465 0.100 . 1 . . . A 9 LEU CD2 . 25520 1
98 . 1 1 9 9 LEU N N 15 121.616 0.100 . 1 . . . A 9 LEU N . 25520 1
99 . 1 1 10 10 MET H H 1 8.359 0.011 . 1 . . . A 10 MET H . 25520 1
100 . 1 1 10 10 MET HA H 1 4.428 0.010 . 1 . . . A 10 MET HA . 25520 1
101 . 1 1 10 10 MET HB2 H 1 2.088 0.010 . 1 . . . A 10 MET HB2 . 25520 1
102 . 1 1 10 10 MET HB3 H 1 1.984 0.010 . 1 . . . A 10 MET HB3 . 25520 1
103 . 1 1 10 10 MET HG2 H 1 2.587 0.010 . 1 . . . A 10 MET HG2 . 25520 1
104 . 1 1 10 10 MET HG3 H 1 2.502 0.010 . 1 . . . A 10 MET HG3 . 25520 1
105 . 1 1 10 10 MET HE1 H 1 2.085 0.010 . 1 . . . A 10 MET HE1 . 25520 1
106 . 1 1 10 10 MET HE2 H 1 2.085 0.010 . 1 . . . A 10 MET HE2 . 25520 1
107 . 1 1 10 10 MET HE3 H 1 2.085 0.010 . 1 . . . A 10 MET HE3 . 25520 1
108 . 1 1 10 10 MET CA C 13 55.207 0.100 . 1 . . . A 10 MET CA . 25520 1
109 . 1 1 10 10 MET CB C 13 32.872 0.100 . 1 . . . A 10 MET CB . 25520 1
110 . 1 1 10 10 MET CG C 13 32.047 0.100 . 1 . . . A 10 MET CG . 25520 1
111 . 1 1 10 10 MET CE C 13 16.738 0.100 . 1 . . . A 10 MET CE . 25520 1
112 . 1 1 10 10 MET N N 15 123.702 0.100 . 1 . . . A 10 MET N . 25520 1
113 . 1 1 11 11 NH2 HN1 H 1 7.525 0.010 . 1 . . . . 11 NH2 HN1 . 25520 1
114 . 1 1 11 11 NH2 HN2 H 1 7.121 0.010 . 1 . . . . 11 NH2 HN2 . 25520 1
115 . 1 1 11 11 NH2 N N 15 108.064 0.100 . 1 . . . . 11 NH2 N . 25520 1
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save_