Content for NMR-STAR saveframe, "assigned_chem_shift_list_minor_conformer"
save_assigned_chem_shift_list_minor_conformer
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_minor_conformer
_Assigned_chem_shift_list.Entry_ID 27659
_Assigned_chem_shift_list.ID 2
_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 $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 'This file contains only the atoms whose chemical shift differ from those of the major conformer.'
_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' . . . 27659 2
2 '3D HNCACB' . . . 27659 2
3 '3D CBCA(CO)NH' . . . 27659 2
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_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
1 $CcpNMR . . 27659 2
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_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 . 2 . 1 2 2 PRO CA C 13 62.3622 0.0075 . 6 . 0.2678 . . . 2 PRO CA . 27659 2
2 . 2 . 1 2 2 PRO CB C 13 33.8049 . . 6 . 0.2809 . . . 2 PRO CB . 27659 2
3 . 2 . 1 3 3 LYS H H 1 8.0949 0.0006 . 6 . 0.2674 . . . 3 LYS H . 27659 2
4 . 2 . 1 3 3 LYS CA C 13 56.9782 0.0287 . 6 . 0.2369 . . . 3 LYS CA . 27659 2
5 . 2 . 1 3 3 LYS CB C 13 33.0124 0.0551 . 6 . 0.2566 . . . 3 LYS CB . 27659 2
6 . 2 . 1 3 3 LYS N N 15 120.2789 0.0161 . 6 . 0.2674 . . . 3 LYS N . 27659 2
7 . 2 . 1 4 4 ARG H H 1 8.2223 0.0008 . 6 . 0.2224 . . . 4 ARG H . 27659 2
8 . 2 . 1 4 4 ARG CB C 13 30.2453 0.0767 . 6 . 0.2114 . . . 4 ARG CB . 27659 2
9 . 2 . 1 4 4 ARG N N 15 119.8143 0.0235 . 6 . 0.2224 . . . 4 ARG N . 27659 2
10 . 2 . 1 5 5 LEU H H 1 8.0615 0.0041 . 6 . 0.2023 . . . 5 LEU H . 27659 2
11 . 2 . 1 5 5 LEU N N 15 123.2814 0.0580 . 6 . 0.2023 . . . 5 LEU N . 27659 2
12 . 2 . 1 8 8 ALA H H 1 10.2511 0.0015 . 6 . 0.2067 . . . 8 ALA H . 27659 2
13 . 2 . 1 8 8 ALA N N 15 124.0578 0.0532 . 6 . 0.2067 . . . 8 ALA N . 27659 2
14 . 2 . 1 13 13 ILE H H 1 8.2735 0.0016 . 6 . 0.2524 . . . 13 ILE H . 27659 2
15 . 2 . 1 13 13 ILE N N 15 118.7369 0.0361 . 6 . 0.2524 . . . 13 ILE N . 27659 2
16 . 2 . 1 15 15 HIS H H 1 7.7400 0.0016 . 6 . 0.2103 . . . 15 HIS H . 27659 2
17 . 2 . 1 18 18 PRO CA C 13 62.5134 0.0931 . 6 . 0.1857 . . . 18 PRO CA . 27659 2
18 . 2 . 1 18 18 PRO CB C 13 32.7999 0.0620 . 6 . 0.1958 . . . 18 PRO CB . 27659 2
19 . 2 . 1 19 19 SER H H 1 7.9740 0.0017 . 6 . 0.1864 . . . 19 SER H . 27659 2
20 . 2 . 1 19 19 SER CA C 13 54.4589 . . 6 . 0.1794 . . . 19 SER CA . 27659 2
21 . 2 . 1 19 19 SER CB C 13 63.2533 . . 6 . 0.1568 . . . 19 SER CB . 27659 2
22 . 2 . 1 19 19 SER N N 15 113.0562 0.0584 . 6 . 0.1864 . . . 19 SER N . 27659 2
23 . 2 . 1 24 24 ASN H H 1 9.2917 0.0007 . 6 . 0.2051 . . . 24 ASN H . 27659 2
24 . 2 . 1 25 25 ARG H H 1 7.2392 0.0003 . 6 . 0.2436 . . . 25 ARG H . 27659 2
25 . 2 . 1 25 25 ARG CA C 13 58.4420 0.0010 . 6 . 0.2254 . . . 25 ARG CA . 27659 2
26 . 2 . 1 25 25 ARG CB C 13 30.7010 0.0842 . 6 . 0.2766 . . . 25 ARG CB . 27659 2
27 . 2 . 1 25 25 ARG N N 15 119.3924 0.0386 . 6 . 0.2436 . . . 25 ARG N . 27659 2
28 . 2 . 1 26 26 ALA H H 1 8.4542 0.0014 . 6 . 0.2362 . . . 26 ALA H . 27659 2
29 . 2 . 1 26 26 ALA CA C 13 55.0065 0.0373 . 6 . 0.2077 . . . 26 ALA CA . 27659 2
30 . 2 . 1 26 26 ALA CB C 13 19.9932 0.0136 . 6 . 0.1869 . . . 26 ALA CB . 27659 2
31 . 2 . 1 26 26 ALA N N 15 123.2963 0.0405 . 6 . 0.2362 . . . 26 ALA N . 27659 2
32 . 2 . 1 27 27 MET H H 1 8.6357 0.0010 . 6 . 0.2128 . . . 27 MET H . 27659 2
33 . 2 . 1 27 27 MET N N 15 112.5125 0.0682 . 6 . 0.2128 . . . 27 MET N . 27659 2
34 . 2 . 1 28 28 SER H H 1 7.4838 0.0060 . 6 . 0.2354 . . . 28 SER H . 27659 2
35 . 2 . 1 28 28 SER N N 15 116.2732 0.0691 . 6 . 0.2354 . . . 28 SER N . 27659 2
36 . 2 . 1 29 29 GLY H H 1 7.5765 0.0005 . 6 . 0.2287 . . . 29 GLY H . 27659 2
37 . 2 . 1 29 29 GLY N N 15 106.8461 0.0005 . 6 . 0.2287 . . . 29 GLY N . 27659 2
38 . 2 . 1 31 31 ASN H H 1 8.8932 0.0024 . 6 . 0.2043 . . . 31 ASN H . 27659 2
39 . 2 . 1 32 32 ASN H H 1 8.3441 0.0030 . 6 . 0.2559 . . . 32 ASN H . 27659 2
40 . 2 . 1 42 42 THR H H 1 8.1843 0.0024 . 6 . 0.2285 . . . 42 THR H . 27659 2
41 . 2 . 1 42 42 THR N N 15 123.9496 0.0302 . 6 . 0.2285 . . . 42 THR N . 27659 2
42 . 2 . 1 43 43 PHE H H 1 9.2236 0.0044 . 6 . 0.1984 . . . 43 PHE H . 27659 2
43 . 2 . 1 45 45 HIS H H 1 8.3706 0.0017 . 6 . 0.2070 . . . 45 HIS H . 27659 2
44 . 2 . 1 45 45 HIS N N 15 122.6402 0.0607 . 6 . 0.2070 . . . 45 HIS N . 27659 2
45 . 2 . 1 47 47 SER H H 1 9.1516 0.0015 . 6 . 0.2251 . . . 47 SER H . 27659 2
46 . 2 . 1 47 47 SER CA C 13 56.7120 . . 6 . 0.1862 . . . 47 SER CA . 27659 2
47 . 2 . 1 47 47 SER CB C 13 65.4140 0.0209 . 6 . 0.2291 . . . 47 SER CB . 27659 2
48 . 2 . 1 47 47 SER N N 15 115.7568 0.0483 . 6 . 0.2251 . . . 47 SER N . 27659 2
49 . 2 . 1 48 48 PHE H H 1 9.5621 0.0009 . 6 . 0.2609 . . . 48 PHE H . 27659 2
50 . 2 . 1 48 48 PHE N N 15 121.9901 0.0155 . 6 . 0.2609 . . . 48 PHE N . 27659 2
51 . 2 . 1 49 49 GLN H H 1 8.9825 0.0014 . 6 . 0.2760 . . . 49 GLN H . 27659 2
52 . 2 . 1 49 49 GLN N N 15 116.7740 0.0463 . 6 . 0.2760 . . . 49 GLN N . 27659 2
53 . 2 . 1 51 51 VAL H H 1 8.1744 0.0026 . 6 . 0.2727 . . . 51 VAL H . 27659 2
54 . 2 . 1 51 51 VAL N N 15 123.6819 0.0516 . 6 . 0.2727 . . . 51 VAL N . 27659 2
55 . 2 . 1 52 52 ALA H H 1 8.8300 0.0045 . 6 . 0.3290 . . . 52 ALA H . 27659 2
56 . 2 . 1 52 52 ALA N N 15 120.7846 0.0333 . 6 . 0.3290 . . . 52 ALA N . 27659 2
57 . 2 . 1 53 53 ALA H H 1 7.4100 0.0014 . 6 . 0.2397 . . . 53 ALA H . 27659 2
58 . 2 . 1 78 78 MET H H 1 9.0642 0.0015 . 6 . 0.2030 . . . 78 MET H . 27659 2
59 . 2 . 1 78 78 MET N N 15 118.9041 0.0102 . 6 . 0.2030 . . . 78 MET N . 27659 2
60 . 2 . 1 79 79 THR H H 1 8.5398 0.0033 . 6 . 0.2240 . . . 79 THR H . 27659 2
61 . 2 . 1 79 79 THR N N 15 118.8795 0.0739 . 6 . 0.2240 . . . 79 THR N . 27659 2
62 . 2 . 1 83 83 LEU H H 1 8.7484 0.0026 . 6 . 0.2310 . . . 83 LEU H . 27659 2
63 . 2 . 1 83 83 LEU N N 15 128.2117 0.0303 . 6 . 0.2310 . . . 83 LEU N . 27659 2
64 . 2 . 1 93 93 TYR H H 1 9.3968 0.0047 . 6 . 0.1903 . . . 93 TYR H . 27659 2
65 . 2 . 1 93 93 TYR N N 15 120.6703 0.0687 . 6 . 0.1903 . . . 93 TYR N . 27659 2
66 . 2 . 1 96 96 ALA H H 1 8.7134 0.0012 . 6 . 0.2570 . . . 96 ALA H . 27659 2
67 . 2 . 1 97 97 ALA H H 1 8.7467 0.0015 . 6 . 0.2073 . . . 97 ALA H . 27659 2
68 . 2 . 1 97 97 ALA N N 15 127.7789 0.0409 . 6 . 0.2073 . . . 97 ALA N . 27659 2
69 . 2 . 1 105 105 ALA H H 1 8.7845 0.0034 . 6 . 0.3085 . . . 105 ALA H . 27659 2
70 . 2 . 1 122 122 HIS H H 1 7.3057 . . 6 . 0.2916 . . . 122 HIS H . 27659 2
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