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 19556
_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' . . . 19556 1
2 '2D 1H-13C HSQC' . . . 19556 1
3 '2D 1H-1H TOCSY' . . . 19556 1
4 '2D 1H-1H NOESY' . . . 19556 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 4.0510 0.03 . 1 . . . A 1 ALA HA . 19556 1
2 . 1 1 1 1 ALA HB1 H 1 1.1448 0.03 . 1 . . . A 1 ALA HB1 . 19556 1
3 . 1 1 1 1 ALA HB2 H 1 1.1448 0.03 . 1 . . . A 1 ALA HB2 . 19556 1
4 . 1 1 1 1 ALA HB3 H 1 1.1448 0.03 . 1 . . . A 1 ALA HB3 . 19556 1
5 . 1 1 1 1 ALA H H 1 8.0238 0.03 . 1 . . . A 1 ALA H1 . 19556 1
6 . 1 1 1 1 ALA N N 15 116.9638 0.10 . 1 . . . A 1 ALA N . 19556 1
7 . 1 1 2 2 PHE H H 1 8.6275 0.03 . 1 . . . A 2 PHE H . 19556 1
8 . 1 1 2 2 PHE HA H 1 4.6047 0.03 . 1 . . . A 2 PHE HA . 19556 1
9 . 1 1 2 2 PHE HB2 H 1 3.0366 0.03 . 2 . . . A 2 PHE HB2 . 19556 1
10 . 1 1 2 2 PHE HB3 H 1 2.3461 0.03 . 2 . . . A 2 PHE HB3 . 19556 1
11 . 1 1 2 2 PHE HD2 H 1 7.2332 0.03 . 3 . . . A 2 PHE HD2 . 19556 1
12 . 1 1 2 2 PHE HE2 H 1 7.3442 0.03 . 3 . . . A 2 PHE HE2 . 19556 1
13 . 1 1 2 2 PHE HZ H 1 7.2965 0.03 . 1 . . . A 2 PHE HZ . 19556 1
14 . 1 1 2 2 PHE CB C 13 39.8325 0.10 . 1 . . . A 2 PHE CB . 19556 1
15 . 1 1 2 2 PHE CD2 C 13 131.8458 0.10 . 1 . . . A 2 PHE CD2 . 19556 1
16 . 1 1 2 2 PHE CE2 C 13 131.6231 0.10 . 1 . . . A 2 PHE CE2 . 19556 1
17 . 1 1 2 2 PHE CZ C 13 130.0700 0.10 . 1 . . . A 2 PHE CZ . 19556 1
18 . 1 1 2 2 PHE N N 15 120.3495 0.10 . 1 . . . A 2 PHE N . 19556 1
19 . 1 1 3 3 GLN H H 1 8.2509 0.03 . 1 . . . A 3 GLN H . 19556 1
20 . 1 1 3 3 GLN HA H 1 4.6024 0.03 . 1 . . . A 3 GLN HA . 19556 1
21 . 1 1 3 3 GLN HB2 H 1 2.3076 0.03 . 2 . . . A 3 GLN HB2 . 19556 1
22 . 1 1 3 3 GLN HG2 H 1 1.9864 0.03 . 2 . . . A 3 GLN HG2 . 19556 1
23 . 1 1 3 3 GLN HG3 H 1 1.8523 0.03 . 2 . . . A 3 GLN HG3 . 19556 1
24 . 1 1 3 3 GLN HE21 H 1 7.4719 0.03 . 2 . . . A 3 GLN HE21 . 19556 1
25 . 1 1 3 3 GLN HE22 H 1 6.8568 0.03 . 2 . . . A 3 GLN HE22 . 19556 1
26 . 1 1 3 3 GLN N N 15 123.8396 0.10 . 1 . . . A 3 GLN N . 19556 1
27 . 1 1 3 3 GLN NE2 N 15 112.3450 0.10 . 1 . . . A 3 GLN NE2 . 19556 1
28 . 1 1 4 4 HYP CD C 13 50.5803 0.10 . 1 . . . A 4 HZP CD . 19556 1
29 . 1 1 4 4 HYP CG C 13 27.4256 0.10 . 1 . . . A 4 HZP CG . 19556 1
30 . 1 1 4 4 HYP HA H 1 4.6001 0.03 . 1 . . . A 4 HZP HA . 19556 1
31 . 1 1 4 4 HYP HB H 1 2.3700 0.03 . 2 . . . A 4 HZP HB . 19556 1
32 . 1 1 4 4 HYP HD H 1 3.6429 0.03 . 2 . . . A 4 HZP HD . 19556 1
33 . 1 1 4 4 HYP HDA H 1 3.7911 0.03 . 2 . . . A 4 HZP HDA . 19556 1
34 . 1 1 4 4 HYP HOD1 H 1 2.0160 0.03 . 2 . . . A 4 HZP HOD1 . 19556 1
35 . 1 1 5 5 THR H H 1 8.4452 0.03 . 1 . . . A 5 THR H . 19556 1
36 . 1 1 5 5 THR HA H 1 4.3455 0.03 . 1 . . . A 5 THR HA . 19556 1
37 . 1 1 5 5 THR HB H 1 4.1863 0.03 . 1 . . . A 5 THR HB . 19556 1
38 . 1 1 5 5 THR HG21 H 1 1.2067 0.03 . 1 . . . A 5 THR HG21 . 19556 1
39 . 1 1 5 5 THR HG22 H 1 1.2067 0.03 . 1 . . . A 5 THR HG22 . 19556 1
40 . 1 1 5 5 THR HG23 H 1 1.2067 0.03 . 1 . . . A 5 THR HG23 . 19556 1
41 . 1 1 5 5 THR CG2 C 13 21.7655 0.10 . 1 . . . A 5 THR CG2 . 19556 1
42 . 1 1 5 5 THR N N 15 115.9803 0.10 . 1 . . . A 5 THR N . 19556 1
43 . 1 1 6 6 THR H H 1 8.2373 0.03 . 1 . . . A 6 THR H . 19556 1
44 . 1 1 6 6 THR HA H 1 4.6072 0.03 . 1 . . . A 6 THR HA . 19556 1
45 . 1 1 6 6 THR HB H 1 4.1278 0.03 . 1 . . . A 6 THR HB . 19556 1
46 . 1 1 6 6 THR HG21 H 1 1.2144 0.03 . 1 . . . A 6 THR HG21 . 19556 1
47 . 1 1 6 6 THR HG22 H 1 1.2144 0.03 . 1 . . . A 6 THR HG22 . 19556 1
48 . 1 1 6 6 THR HG23 H 1 1.2144 0.03 . 1 . . . A 6 THR HG23 . 19556 1
49 . 1 1 6 6 THR CA C 13 57.9705 0.10 . 1 . . . A 6 THR CA . 19556 1
50 . 1 1 6 6 THR CB C 13 70.0896 0.10 . 1 . . . A 6 THR CB . 19556 1
51 . 1 1 6 6 THR N N 15 118.7700 0.10 . 1 . . . A 6 THR N . 19556 1
52 . 1 1 7 7 PRO HA H 1 4.4013 0.03 . 1 . . . A 7 PRO HA . 19556 1
53 . 1 1 7 7 PRO HB2 H 1 2.2750 0.03 . 2 . . . A 7 PRO HB2 . 19556 1
54 . 1 1 7 7 PRO HB3 H 1 1.9052 0.03 . 2 . . . A 7 PRO HB3 . 19556 1
55 . 1 1 7 7 PRO HG2 H 1 2.0735 0.03 . 2 . . . A 7 PRO HG2 . 19556 1
56 . 1 1 7 7 PRO HG3 H 1 2.0166 0.03 . 2 . . . A 7 PRO HG3 . 19556 1
57 . 1 1 7 7 PRO HD2 H 1 3.7528 0.03 . 2 . . . A 7 PRO HD2 . 19556 1
58 . 1 1 7 7 PRO HD3 H 1 3.8579 0.03 . 2 . . . A 7 PRO HD3 . 19556 1
59 . 1 1 7 7 PRO CA C 13 63.3487 0.10 . 1 . . . A 7 PRO CA . 19556 1
60 . 1 1 7 7 PRO CB C 13 32.1774 0.10 . 1 . . . A 7 PRO CB . 19556 1
61 . 1 1 7 7 PRO CD C 13 58.3642 0.10 . 1 . . . A 7 PRO CD . 19556 1
62 . 1 1 8 8 GLY H H 1 8.5365 0.03 . 1 . . . A 8 GLY H . 19556 1
63 . 1 1 8 8 GLY HA2 H 1 3.9513 0.03 . 2 . . . A 8 GLY HA2 . 19556 1
64 . 1 1 8 8 GLY CA C 13 45.1722 0.10 . 1 . . . A 8 GLY CA . 19556 1
65 . 1 1 8 8 GLY N N 15 109.8721 0.10 . 1 . . . A 8 GLY N . 19556 1
66 . 1 1 9 9 ASN H H 1 8.2648 0.03 . 1 . . . A 9 ASN H . 19556 1
67 . 1 1 9 9 ASN HA H 1 4.7621 0.03 . 1 . . . A 9 ASN HA . 19556 1
68 . 1 1 9 9 ASN HB2 H 1 2.7871 0.03 . 2 . . . A 9 ASN HB2 . 19556 1
69 . 1 1 9 9 ASN HB3 H 1 2.7204 0.03 . 2 . . . A 9 ASN HB3 . 19556 1
70 . 1 1 9 9 ASN HD21 H 1 7.5386 0.03 . 2 . . . A 9 ASN HD21 . 19556 1
71 . 1 1 9 9 ASN HD22 H 1 6.8910 0.03 . 2 . . . A 9 ASN HD22 . 19556 1
72 . 1 1 9 9 ASN N N 15 118.5538 0.10 . 1 . . . A 9 ASN N . 19556 1
73 . 1 1 9 9 ASN ND2 N 15 112.7534 0.10 . 1 . . . A 9 ASN ND2 . 19556 1
74 . 1 1 10 10 SER H H 1 8.3164 0.03 . 1 . . . A 10 SER H . 19556 1
75 . 1 1 10 10 SER HA H 1 4.7302 0.03 . 1 . . . A 10 SER HA . 19556 1
76 . 1 1 10 10 SER HB2 H 1 3.8263 0.03 . 2 . . . A 10 SER HB2 . 19556 1
77 . 1 1 10 10 SER HB3 H 1 3.7786 0.03 . 2 . . . A 10 SER HB3 . 19556 1
78 . 1 1 10 10 SER CA C 13 54.9909 0.10 . 1 . . . A 10 SER CA . 19556 1
79 . 1 1 10 10 SER CB C 13 63.2284 0.10 . 1 . . . A 10 SER CB . 19556 1
80 . 1 1 10 10 SER N N 15 117.1950 0.10 . 1 . . . A 10 SER N . 19556 1
81 . 1 1 11 11 HYP CA C 13 72.5243 0.10 . 1 . . . A 11 HZP CA . 19556 1
82 . 1 1 11 11 HYP CG C 13 32.7024 0.10 . 1 . . . A 11 HZP CG . 19556 1
83 . 1 1 11 11 HYP HA H 1 4.5890 0.03 . 1 . . . A 11 HZP HA . 19556 1
84 . 1 1 11 11 HYP HB H 1 2.3132 0.03 . 2 . . . A 11 HZP HB . 19556 1
85 . 1 1 11 11 HYP HDA H 1 3.8507 0.03 . 2 . . . A 11 HZP HDA . 19556 1
86 . 1 1 11 11 HYP HOD1 H 1 2.0681 0.03 . 2 . . . A 11 HZP HOD1 . 19556 1
87 . 1 1 12 12 GLY H H 1 8.5088 0.03 . 1 . . . A 12 GLY H . 19556 1
88 . 1 1 12 12 GLY HA2 H 1 3.8932 0.03 . 2 . . . A 12 GLY HA2 . 19556 1
89 . 1 1 12 12 GLY CA C 13 45.1522 0.10 . 1 . . . A 12 GLY CA . 19556 1
90 . 1 1 12 12 GLY N N 15 112.5638 0.10 . 1 . . . A 12 GLY N . 19556 1
91 . 1 1 13 13 VAL H H 1 7.9837 0.03 . 1 . . . A 13 VAL H . 19556 1
92 . 1 1 13 13 VAL HA H 1 4.1238 0.03 . 1 . . . A 13 VAL HA . 19556 1
93 . 1 1 13 13 VAL HB H 1 2.0810 0.03 . 1 . . . A 13 VAL HB . 19556 1
94 . 1 1 13 13 VAL HG11 H 1 0.8895 0.03 . 2 . . . A 13 VAL HG11 . 19556 1
95 . 1 1 13 13 VAL HG12 H 1 0.8895 0.03 . 2 . . . A 13 VAL HG12 . 19556 1
96 . 1 1 13 13 VAL HG13 H 1 0.8895 0.03 . 2 . . . A 13 VAL HG13 . 19556 1
97 . 1 1 13 13 VAL CA C 13 62.4350 0.10 . 1 . . . A 13 VAL CA . 19556 1
98 . 1 1 13 13 VAL CG1 C 13 20.7363 0.10 . 2 . . . A 13 VAL CG1 . 19556 1
99 . 1 1 13 13 VAL N N 15 119.2529 0.10 . 1 . . . A 13 VAL N . 19556 1
100 . 1 1 14 14 GLY H H 1 8.4372 0.03 . 1 . . . A 14 GLY H . 19556 1
101 . 1 1 14 14 GLY HA2 H 1 3.9341 0.03 . 2 . . . A 14 GLY HA2 . 19556 1
102 . 1 1 14 14 GLY CA C 13 45.1722 0.10 . 1 . . . A 14 GLY CA . 19556 1
103 . 1 1 14 14 GLY N N 15 109.1268 0.10 . 1 . . . A 14 GLY N . 19556 1
104 . 1 1 15 15 HIS H H 1 8.0047 0.03 . 1 . . . A 15 HIS H . 19556 1
105 . 1 1 15 15 HIS HA H 1 4.5126 0.03 . 1 . . . A 15 HIS HA . 19556 1
106 . 1 1 15 15 HIS HB2 H 1 3.0945 0.03 . 2 . . . A 15 HIS HB2 . 19556 1
107 . 1 1 15 15 HIS HB3 H 1 3.2512 0.03 . 2 . . . A 15 HIS HB3 . 19556 1
108 . 1 1 15 15 HIS HD2 H 1 7.1956 0.03 . 1 . . . A 15 HIS HD2 . 19556 1
109 . 1 1 15 15 HIS HE1 H 1 8.5549 0.03 . 1 . . . A 15 HIS HE1 . 19556 1
110 . 1 1 15 15 HIS CA C 13 56.2802 0.10 . 1 . . . A 15 HIS CA . 19556 1
111 . 1 1 15 15 HIS CB C 13 29.7363 0.10 . 1 . . . A 15 HIS CB . 19556 1
112 . 1 1 15 15 HIS CD2 C 13 119.7593 0.10 . 1 . . . A 15 HIS CD2 . 19556 1
113 . 1 1 15 15 HIS CE1 C 13 136.3429 0.10 . 1 . . . A 15 HIS CE1 . 19556 1
114 . 1 1 15 15 HIS N N 15 121.5006 0.10 . 1 . . . A 15 HIS N . 19556 1
stop_
save_