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 19555
_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-15N HSQC' 1 $sample_1 . 19555 1
2 '2D 1H-13C HSQC' 1 $sample_1 . 19555 1
3 '2D 1H-1H TOCSY' 1 $sample_1 . 19555 1
4 '2D 1H-1H NOESY' 1 $sample_1 . 19555 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 ALA HA H 1 4.0143 0.0000 . 1 . . . A 1 ALA HA . 19555 1
2 . 1 1 1 1 ALA HB1 H 1 1.4735 0.0000 . 1 . . . A 1 ALA HB1 . 19555 1
3 . 1 1 1 1 ALA HB2 H 1 1.4735 0.0000 . 1 . . . A 1 ALA HB2 . 19555 1
4 . 1 1 1 1 ALA HB3 H 1 1.4735 0.0000 . 1 . . . A 1 ALA HB3 . 19555 1
5 . 1 1 1 1 ALA H H 1 8.0816 0.0000 . 1 . . . A 1 ALA H1 . 19555 1
6 . 1 1 1 1 ALA CA C 13 51.7346 0.0000 . 1 . . . A 1 ALA CA . 19555 1
7 . 1 1 1 1 ALA CB C 13 19.4401 0.0000 . 1 . . . A 1 ALA CB . 19555 1
8 . 1 1 2 2 PHE H H 1 8.6495 0.0000 . 1 . . . A 2 PHE H . 19555 1
9 . 1 1 2 2 PHE HA H 1 4.6139 0.0000 . 1 . . . A 2 PHE HA . 19555 1
10 . 1 1 2 2 PHE HB2 H 1 3.0407 0.0000 . 2 . . . A 2 PHE HB2 . 19555 1
11 . 1 1 2 2 PHE HD2 H 1 7.4527 0.0000 . 3 . . . A 2 PHE HD2 . 19555 1
12 . 1 1 2 2 PHE CA C 13 57.9478 0.0000 . 1 . . . A 2 PHE CA . 19555 1
13 . 1 1 2 2 PHE CB C 13 39.7861 0.0000 . 1 . . . A 2 PHE CB . 19555 1
14 . 1 1 2 2 PHE N N 15 120.5882 0.0000 . 1 . . . A 2 PHE N . 19555 1
15 . 1 1 3 3 ARG H H 1 8.2116 0.0000 . 1 . . . A 3 ARG H . 19555 1
16 . 1 1 3 3 ARG HA H 1 4.5711 0.0000 . 1 . . . A 3 ARG HA . 19555 1
17 . 1 1 3 3 ARG HB2 H 1 1.7378 0.0000 . 2 . . . A 3 ARG HB2 . 19555 1
18 . 1 1 3 3 ARG HG2 H 1 1.5736 0.0000 . 2 . . . A 3 ARG HG2 . 19555 1
19 . 1 1 3 3 ARG HG3 H 1 1.6302 0.0000 . 2 . . . A 3 ARG HG3 . 19555 1
20 . 1 1 3 3 ARG HD2 H 1 3.1564 0.0000 . 2 . . . A 3 ARG HD2 . 19555 1
21 . 1 1 3 3 ARG HH11 H 1 7.1449 0.0000 . 9 . . . A 3 ARG HH11 . 19555 1
22 . 1 1 3 3 ARG CA C 13 53.5223 0.0000 . 1 . . . A 3 ARG CA . 19555 1
23 . 1 1 3 3 ARG CB C 13 30.6879 0.0000 . 1 . . . A 3 ARG CB . 19555 1
24 . 1 1 3 3 ARG CG C 13 26.6688 0.0000 . 1 . . . A 3 ARG CG . 19555 1
25 . 1 1 3 3 ARG CD C 13 43.3806 0.0000 . 1 . . . A 3 ARG CD . 19555 1
26 . 1 1 3 3 ARG N N 15 124.6625 0.0000 . 1 . . . A 3 ARG N . 19555 1
27 . 1 1 3 3 ARG NH1 N 15 124.7890 0.0000 . 2 . . . A 3 ARG NH1 . 19555 1
28 . 1 1 4 4 HYP HA H 1 4.5891 0.0000 . 1 . . . A 4 HZP HA . 19555 1
29 . 1 1 4 4 HYP HB H 1 2.3572 0.0000 . 2 . . . A 4 HZP HB . 19555 1
30 . 1 1 4 4 HYP HDA H 1 3.7563 0.0000 . 2 . . . A 4 HZP HDA . 19555 1
31 . 1 1 4 4 HYP HOD1 H 1 2.0158 0.0000 . 2 . . . A 4 HZP HOD1 . 19555 1
32 . 1 1 5 5 THR H H 1 8.3942 0.0000 . 1 . . . A 5 THR H . 19555 1
33 . 1 1 5 5 THR HA H 1 4.2333 0.0000 . 1 . . . A 5 THR HA . 19555 1
34 . 1 1 5 5 THR HB H 1 4.1331 0.0000 . 1 . . . A 5 THR HB . 19555 1
35 . 1 1 5 5 THR HG21 H 1 1.2099 0.0000 . 1 . . . A 5 THR HG21 . 19555 1
36 . 1 1 5 5 THR HG22 H 1 1.2099 0.0000 . 1 . . . A 5 THR HG22 . 19555 1
37 . 1 1 5 5 THR HG23 H 1 1.2099 0.0000 . 1 . . . A 5 THR HG23 . 19555 1
38 . 1 1 5 5 THR CA C 13 61.9267 0.0000 . 1 . . . A 5 THR CA . 19555 1
39 . 1 1 5 5 THR CB C 13 70.0587 0.0000 . 1 . . . A 5 THR CB . 19555 1
40 . 1 1 5 5 THR CG2 C 13 21.7368 0.0000 . 1 . . . A 5 THR CG2 . 19555 1
41 . 1 1 5 5 THR N N 15 116.5400 0.0000 . 1 . . . A 5 THR N . 19555 1
42 . 1 1 6 6 ALA H H 1 8.3560 0.0000 . 1 . . . A 6 ALA H . 19555 1
43 . 1 1 6 6 ALA HA H 1 4.6030 0.0000 . 1 . . . A 6 ALA HA . 19555 1
44 . 1 1 6 6 ALA HB1 H 1 1.3234 0.0000 . 1 . . . A 6 ALA HB1 . 19555 1
45 . 1 1 6 6 ALA HB2 H 1 1.3234 0.0000 . 1 . . . A 6 ALA HB2 . 19555 1
46 . 1 1 6 6 ALA HB3 H 1 1.3234 0.0000 . 1 . . . A 6 ALA HB3 . 19555 1
47 . 1 1 6 6 ALA CA C 13 50.4652 0.0000 . 1 . . . A 6 ALA CA . 19555 1
48 . 1 1 6 6 ALA CB C 13 18.2319 0.0000 . 1 . . . A 6 ALA CB . 19555 1
49 . 1 1 6 6 ALA N N 15 108.1996 0.0000 . 1 . . . A 6 ALA N . 19555 1
50 . 1 1 7 7 PRO HA H 1 4.4012 0.0000 . 1 . . . A 7 PRO HA . 19555 1
51 . 1 1 7 7 PRO HB2 H 1 2.2830 0.0000 . 2 . . . A 7 PRO HB2 . 19555 1
52 . 1 1 7 7 PRO HG2 H 1 1.9020 0.0000 . 2 . . . A 7 PRO HG2 . 19555 1
53 . 1 1 7 7 PRO HG3 H 1 2.0270 0.0000 . 2 . . . A 7 PRO HG3 . 19555 1
54 . 1 1 7 7 PRO HD2 H 1 3.6538 0.0000 . 2 . . . A 7 PRO HD2 . 19555 1
55 . 1 1 7 7 PRO HD3 H 1 3.7973 0.0000 . 2 . . . A 7 PRO HD3 . 19555 1
56 . 1 1 8 8 GLY H H 1 8.5276 0.0000 . 1 . . . A 8 GLY H . 19555 1
57 . 1 1 8 8 GLY HA2 H 1 3.9557 0.0000 . 2 . . . A 8 GLY HA2 . 19555 1
58 . 1 1 8 8 GLY CA C 13 45.1427 0.0000 . 1 . . . A 8 GLY CA . 19555 1
59 . 1 1 8 8 GLY N N 15 109.8161 0.0000 . 1 . . . A 8 GLY N . 19555 1
60 . 1 1 9 9 HIS H H 1 8.3296 0.0000 . 1 . . . A 9 HIS H . 19555 1
61 . 1 1 9 9 HIS HA H 1 4.7390 0.0000 . 1 . . . A 9 HIS HA . 19555 1
62 . 1 1 9 9 HIS HB2 H 1 3.1380 0.0000 . 2 . . . A 9 HIS HB2 . 19555 1
63 . 1 1 9 9 HIS HB3 H 1 3.2520 0.0000 . 2 . . . A 9 HIS HB3 . 19555 1
64 . 1 1 9 9 HIS CB C 13 29.3780 0.0000 . 1 . . . A 9 HIS CB . 19555 1
65 . 1 1 9 9 HIS N N 15 117.8957 0.0000 . 1 . . . A 9 HIS N . 19555 1
66 . 1 1 10 10 SER H H 1 8.5016 0.0000 . 1 . . . A 10 SER H . 19555 1
67 . 1 1 10 10 SER HA H 1 4.7469 0.0000 . 1 . . . A 10 SER HA . 19555 1
68 . 1 1 10 10 SER HB2 H 1 3.8376 0.0000 . 2 . . . A 10 SER HB2 . 19555 1
69 . 1 1 10 10 SER HB3 H 1 3.7995 0.0000 . 2 . . . A 10 SER HB3 . 19555 1
70 . 1 1 10 10 SER CB C 13 63.2014 0.0000 . 1 . . . A 10 SER CB . 19555 1
71 . 1 1 10 10 SER N N 15 112.5987 0.0000 . 1 . . . A 10 SER N . 19555 1
72 . 1 1 11 11 HYP CA C 13 72.5054 0.0000 . 1 . . . A 11 HZP CA . 19555 1
73 . 1 1 11 11 HYP CB C 13 39.8307 0.0000 . 1 . . . A 11 HZP CB . 19555 1
74 . 1 1 11 11 HYP CD C 13 58.3690 0.0000 . 1 . . . A 11 HZP CD . 19555 1
75 . 1 1 11 11 HYP CG C 13 27.4035 0.0000 . 1 . . . A 11 HZP CG . 19555 1
76 . 1 1 11 11 HYP HA H 1 4.6103 0.0000 . 1 . . . A 11 HZP HA . 19555 1
77 . 1 1 11 11 HYP HB H 1 2.3508 0.0000 . 2 . . . A 11 HZP HB . 19555 1
78 . 1 1 11 11 HYP HBA H 1 2.3424 0.0000 . 2 . . . A 11 HZP HBA . 19555 1
79 . 1 1 11 11 HYP HD H 1 3.8612 0.0000 . 2 . . . A 11 HZP HD . 19555 1
80 . 1 1 11 11 HYP HDA H 1 3.8667 0.0000 . 2 . . . A 11 HZP HDA . 19555 1
81 . 1 1 11 11 HYP HG H 1 2.0753 0.0000 . 2 . . . A 11 HZP HG . 19555 1
82 . 1 1 12 12 GLY H H 1 8.4532 0.0000 . 1 . . . A 12 GLY H . 19555 1
83 . 1 1 12 12 GLY HA2 H 1 3.8969 0.0000 . 2 . . . A 12 GLY HA2 . 19555 1
84 . 1 1 12 12 GLY CA C 13 45.1212 0.0000 . 1 . . . A 12 GLY CA . 19555 1
85 . 1 1 12 12 GLY N N 15 109.0751 0.0000 . 1 . . . A 12 GLY N . 19555 1
86 . 1 1 13 13 VAL H H 1 8.0087 0.0000 . 1 . . . A 13 VAL H . 19555 1
87 . 1 1 13 13 VAL HA H 1 4.1286 0.0000 . 1 . . . A 13 VAL HA . 19555 1
88 . 1 1 13 13 VAL HB H 1 2.0740 0.0000 . 1 . . . A 13 VAL HB . 19555 1
89 . 1 1 13 13 VAL HG11 H 1 0.8933 0.0000 . 2 . . . A 13 VAL HG11 . 19555 1
90 . 1 1 13 13 VAL HG12 H 1 0.8933 0.0000 . 2 . . . A 13 VAL HG12 . 19555 1
91 . 1 1 13 13 VAL HG13 H 1 0.8933 0.0000 . 2 . . . A 13 VAL HG13 . 19555 1
92 . 1 1 13 13 VAL CA C 13 62.4118 0.0000 . 1 . . . A 13 VAL CA . 19555 1
93 . 1 1 13 13 VAL CB C 13 32.6848 0.0000 . 1 . . . A 13 VAL CB . 19555 1
94 . 1 1 13 13 VAL CG1 C 13 20.7055 0.0000 . 2 . . . A 13 VAL CG1 . 19555 1
95 . 1 1 13 13 VAL N N 15 119.1792 0.0000 . 1 . . . A 13 VAL N . 19555 1
96 . 1 1 14 14 GLY H H 1 8.5040 0.0000 . 1 . . . A 14 GLY H . 19555 1
97 . 1 1 14 14 GLY N N 15 119.0640 0.0000 . 1 . . . A 14 GLY N . 19555 1
98 . 1 1 15 15 HIS H H 1 7.9625 0.0000 . 1 . . . A 15 HIS H . 19555 1
99 . 1 1 15 15 HIS HA H 1 4.5180 0.0000 . 1 . . . A 15 HIS HA . 19555 1
100 . 1 1 15 15 HIS HB2 H 1 3.1284 0.0000 . 2 . . . A 15 HIS HB2 . 19555 1
101 . 1 1 15 15 HIS HB3 H 1 3.2630 0.0000 . 2 . . . A 15 HIS HB3 . 19555 1
102 . 1 1 15 15 HIS CA C 13 56.2250 0.0000 . 1 . . . A 15 HIS CA . 19555 1
103 . 1 1 15 15 HIS CB C 13 29.6390 0.0000 . 1 . . . A 15 HIS CB . 19555 1
104 . 1 1 15 15 HIS N N 15 121.7596 0.0000 . 1 . . . A 15 HIS N . 19555 1
stop_
save_