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 31096
_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-13C HSQC' . . . 31096 1
2 '2D 1H-15N HSQC' . . . 31096 1
3 '2D 1H-1H NOESY' . . . 31096 1
4 '2D 1H-1H TOCSY' . . . 31096 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 TRP H H 1 7.982 . . . . . . . A 1 TRP H1 . 31096 1
2 . 1 . 1 1 1 TRP HA H 1 4.111 . . . . . . . A 1 TRP HA . 31096 1
3 . 1 . 1 1 1 TRP HB2 H 1 2.512 . . . . . . . A 1 TRP HB2 . 31096 1
4 . 1 . 1 1 1 TRP HB3 H 1 2.512 . . . . . . . A 1 TRP HB3 . 31096 1
5 . 1 . 1 1 1 TRP CA C 13 54.468 . . . . . . . A 1 TRP CA . 31096 1
6 . 1 . 1 1 1 TRP CB C 13 28.836 . . . . . . . A 1 TRP CB . 31096 1
7 . 1 . 1 1 1 TRP N N 15 121.084 . . . . . . . A 1 TRP N . 31096 1
8 . 1 . 1 2 2 HIS H H 1 7.966 . . . . . . . A 2 HIS H . 31096 1
9 . 1 . 1 2 2 HIS HA H 1 4.632 . . . . . . . A 2 HIS HA . 31096 1
10 . 1 . 1 2 2 HIS HB2 H 1 3.238 . . . . . . . A 2 HIS HB2 . 31096 1
11 . 1 . 1 2 2 HIS HB3 H 1 3.238 . . . . . . . A 2 HIS HB3 . 31096 1
12 . 1 . 1 2 2 HIS CA C 13 56.951 . . . . . . . A 2 HIS CA . 31096 1
13 . 1 . 1 2 2 HIS CB C 13 29.199 . . . . . . . A 2 HIS CB . 31096 1
14 . 1 . 1 2 2 HIS N N 15 121.042 . . . . . . . A 2 HIS N . 31096 1
15 . 1 . 1 3 3 MET H H 1 8.358 . . . . . . . A 3 MET H . 31096 1
16 . 1 . 1 3 3 MET HA H 1 4.212 . . . . . . . A 3 MET HA . 31096 1
17 . 1 . 1 3 3 MET HB2 H 1 2.293 . . . . . . . A 3 MET HB2 . 31096 1
18 . 1 . 1 3 3 MET HB3 H 1 2.293 . . . . . . . A 3 MET HB3 . 31096 1
19 . 1 . 1 3 3 MET CA C 13 56.500 . . . . . . . A 3 MET CA . 31096 1
20 . 1 . 1 3 3 MET CB C 13 33.757 . . . . . . . A 3 MET CB . 31096 1
21 . 1 . 1 3 3 MET N N 15 120.213 . . . . . . . A 3 MET N . 31096 1
22 . 1 . 1 4 4 TRP H H 1 8.344 . . . . . . . A 4 TRP H . 31096 1
23 . 1 . 1 4 4 TRP HA H 1 4.375 . . . . . . . A 4 TRP HA . 31096 1
24 . 1 . 1 4 4 TRP HB2 H 1 3.064 . . . . . . . A 4 TRP HB2 . 31096 1
25 . 1 . 1 4 4 TRP HB3 H 1 3.064 . . . . . . . A 4 TRP HB3 . 31096 1
26 . 1 . 1 4 4 TRP CA C 13 58.016 . . . . . . . A 4 TRP CA . 31096 1
27 . 1 . 1 4 4 TRP CB C 13 29.423 . . . . . . . A 4 TRP CB . 31096 1
28 . 1 . 1 4 4 TRP N N 15 127.952 . . . . . . . A 4 TRP N . 31096 1
29 . 1 . 1 5 5 ASN H H 1 8.216 . . . . . . . A 5 ASN H . 31096 1
30 . 1 . 1 5 5 ASN HA H 1 4.625 . . . . . . . A 5 ASN HA . 31096 1
31 . 1 . 1 5 5 ASN HB2 H 1 2.520 . . . . . . . A 5 ASN HB2 . 31096 1
32 . 1 . 1 5 5 ASN HB3 H 1 2.520 . . . . . . . A 5 ASN HB3 . 31096 1
33 . 1 . 1 5 5 ASN CA C 13 53.176 . . . . . . . A 5 ASN CA . 31096 1
34 . 1 . 1 5 5 ASN CB C 13 38.580 . . . . . . . A 5 ASN CB . 31096 1
35 . 1 . 1 5 5 ASN N N 15 120.200 . . . . . . . A 5 ASN N . 31096 1
36 . 1 . 1 6 6 THR H H 1 8.071 . . . . . . . A 6 THR H . 31096 1
37 . 1 . 1 6 6 THR HA H 1 4.260 . . . . . . . A 6 THR HA . 31096 1
38 . 1 . 1 6 6 THR HB H 1 4.117 . . . . . . . A 6 THR HB . 31096 1
39 . 1 . 1 6 6 THR CA C 13 61.904 . . . . . . . A 6 THR CA . 31096 1
40 . 1 . 1 6 6 THR CB C 13 69.892 . . . . . . . A 6 THR CB . 31096 1
41 . 1 . 1 6 6 THR N N 15 114.650 . . . . . . . A 6 THR N . 31096 1
42 . 1 . 1 7 7 VAL H H 1 8.368 . . . . . . . A 7 VAL H . 31096 1
43 . 1 . 1 7 7 VAL HA H 1 4.000 . . . . . . . A 7 VAL HA . 31096 1
44 . 1 . 1 7 7 VAL HB H 1 1.988 . . . . . . . A 7 VAL HB . 31096 1
45 . 1 . 1 7 7 VAL CA C 13 62.709 . . . . . . . A 7 VAL CA . 31096 1
46 . 1 . 1 7 7 VAL CB C 13 32.691 . . . . . . . A 7 VAL CB . 31096 1
47 . 1 . 1 7 7 VAL N N 15 123.493 . . . . . . . A 7 VAL N . 31096 1
48 . 1 . 1 8 8 PRO HA H 1 4.308 . . . . . . . A 8 PRO HA . 31096 1
49 . 1 . 1 8 8 PRO HB2 H 1 2.196 . . . . . . . A 8 PRO HB2 . 31096 1
50 . 1 . 1 8 8 PRO HB3 H 1 2.196 . . . . . . . A 8 PRO HB3 . 31096 1
51 . 1 . 1 8 8 PRO CA C 13 63.231 . . . . . . . A 8 PRO CA . 31096 1
52 . 1 . 1 8 8 PRO CB C 13 32.103 . . . . . . . A 8 PRO CB . 31096 1
53 . 1 . 1 9 9 ASN H H 1 8.592 . . . . . . . A 9 ASN H . 31096 1
54 . 1 . 1 9 9 ASN HA H 1 4.552 . . . . . . . A 9 ASN HA . 31096 1
55 . 1 . 1 9 9 ASN HB2 H 1 2.766 . . . . . . . A 9 ASN HB2 . 31096 1
56 . 1 . 1 9 9 ASN HB3 H 1 2.766 . . . . . . . A 9 ASN HB3 . 31096 1
57 . 1 . 1 9 9 ASN CA C 13 53.231 . . . . . . . A 9 ASN CA . 31096 1
58 . 1 . 1 9 9 ASN CB C 13 38.645 . . . . . . . A 9 ASN CB . 31096 1
59 . 1 . 1 9 9 ASN N N 15 119.216 . . . . . . . A 9 ASN N . 31096 1
60 . 1 . 1 10 10 ALA H H 1 8.515 . . . . . . . A 10 ALA H . 31096 1
61 . 1 . 1 10 10 ALA HA H 1 4.227 . . . . . . . A 10 ALA HA . 31096 1
62 . 1 . 1 10 10 ALA HB1 H 1 1.347 . . . . . . . A 10 ALA HB1 . 31096 1
63 . 1 . 1 10 10 ALA HB2 H 1 1.347 . . . . . . . A 10 ALA HB2 . 31096 1
64 . 1 . 1 10 10 ALA HB3 H 1 1.347 . . . . . . . A 10 ALA HB3 . 31096 1
65 . 1 . 1 10 10 ALA CA C 13 52.456 . . . . . . . A 10 ALA CA . 31096 1
66 . 1 . 1 10 10 ALA CB C 13 19.025 . . . . . . . A 10 ALA CB . 31096 1
67 . 1 . 1 10 10 ALA N N 15 129.334 . . . . . . . A 10 ALA N . 31096 1
68 . 1 . 1 11 11 LYS H H 1 8.366 . . . . . . . A 11 LYS H . 31096 1
69 . 1 . 1 11 11 LYS HA H 1 4.242 . . . . . . . A 11 LYS HA . 31096 1
70 . 1 . 1 11 11 LYS HB2 H 1 1.718 . . . . . . . A 11 LYS HB2 . 31096 1
71 . 1 . 1 11 11 LYS HB3 H 1 1.718 . . . . . . . A 11 LYS HB3 . 31096 1
72 . 1 . 1 11 11 LYS CA C 13 55.895 . . . . . . . A 11 LYS CA . 31096 1
73 . 1 . 1 11 11 LYS CB C 13 32.766 . . . . . . . A 11 LYS CB . 31096 1
74 . 1 . 1 11 11 LYS N N 15 122.275 . . . . . . . A 11 LYS N . 31096 1
75 . 1 . 1 12 12 GLN H H 1 8.064 . . . . . . . A 12 GLN H . 31096 1
76 . 1 . 1 12 12 GLN HA H 1 4.111 . . . . . . . A 12 GLN HA . 31096 1
77 . 1 . 1 12 12 GLN HB2 H 1 1.797 . . . . . . . A 12 GLN HB2 . 31096 1
78 . 1 . 1 12 12 GLN HB3 H 1 1.797 . . . . . . . A 12 GLN HB3 . 31096 1
79 . 1 . 1 12 12 GLN CA C 13 55.671 . . . . . . . A 12 GLN CA . 31096 1
80 . 1 . 1 12 12 GLN CB C 13 32.211 . . . . . . . A 12 GLN CB . 31096 1
81 . 1 . 1 12 12 GLN N N 15 120.484 . . . . . . . A 12 GLN N . 31096 1
82 . 1 . 1 13 13 VAL H H 1 8.287 . . . . . . . A 13 VAL H . 31096 1
83 . 1 . 1 13 13 VAL HA H 1 4.347 . . . . . . . A 13 VAL HA . 31096 1
84 . 1 . 1 13 13 VAL HB H 1 2.051 . . . . . . . A 13 VAL HB . 31096 1
85 . 1 . 1 13 13 VAL CA C 13 60.038 . . . . . . . A 13 VAL CA . 31096 1
86 . 1 . 1 13 13 VAL CB C 13 32.515 . . . . . . . A 13 VAL CB . 31096 1
87 . 1 . 1 13 13 VAL N N 15 124.627 . . . . . . . A 13 VAL N . 31096 1
88 . 1 . 1 14 14 ILE H H 1 8.385 . . . . . . . A 14 ILE H . 31096 1
89 . 1 . 1 14 14 ILE HA H 1 4.075 . . . . . . . A 14 ILE HA . 31096 1
90 . 1 . 1 14 14 ILE HB H 1 1.779 . . . . . . . A 14 ILE HB . 31096 1
91 . 1 . 1 14 14 ILE CA C 13 60.951 . . . . . . . A 14 ILE CA . 31096 1
92 . 1 . 1 14 14 ILE CB C 13 38.451 . . . . . . . A 14 ILE CB . 31096 1
93 . 1 . 1 14 14 ILE N N 15 126.400 . . . . . . . A 14 ILE N . 31096 1
94 . 1 . 1 15 15 ALA H H 1 8.347 . . . . . . . A 15 ALA H . 31096 1
95 . 1 . 1 15 15 ALA HA H 1 4.185 . . . . . . . A 15 ALA HA . 31096 1
96 . 1 . 1 15 15 ALA HB1 H 1 1.359 . . . . . . . A 15 ALA HB1 . 31096 1
97 . 1 . 1 15 15 ALA HB2 H 1 1.359 . . . . . . . A 15 ALA HB2 . 31096 1
98 . 1 . 1 15 15 ALA HB3 H 1 1.359 . . . . . . . A 15 ALA HB3 . 31096 1
99 . 1 . 1 15 15 ALA CA C 13 52.342 . . . . . . . A 15 ALA CA . 31096 1
100 . 1 . 1 15 15 ALA CB C 13 19.387 . . . . . . . A 15 ALA CB . 31096 1
101 . 1 . 1 15 15 ALA N N 15 124.700 . . . . . . . A 15 ALA N . 31096 1
102 . 1 . 1 16 16 ALA H H 1 8.356 . . . . . . . A 16 ALA H . 31096 1
103 . 1 . 1 16 16 ALA HA H 1 4.218 . . . . . . . A 16 ALA HA . 31096 1
104 . 1 . 1 16 16 ALA HB1 H 1 1.360 . . . . . . . A 16 ALA HB1 . 31096 1
105 . 1 . 1 16 16 ALA HB2 H 1 1.360 . . . . . . . A 16 ALA HB2 . 31096 1
106 . 1 . 1 16 16 ALA HB3 H 1 1.360 . . . . . . . A 16 ALA HB3 . 31096 1
107 . 1 . 1 16 16 ALA CA C 13 52.943 . . . . . . . A 16 ALA CA . 31096 1
108 . 1 . 1 16 16 ALA CB C 13 19.222 . . . . . . . A 16 ALA CB . 31096 1
109 . 1 . 1 16 16 ALA N N 15 124.692 . . . . . . . A 16 ALA N . 31096 1
stop_
save_