Content for NMR-STAR saveframe, "assigned_chemical_shifts_2"
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 51850
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 'Assigned Chemical shift list for minor conformer of MazE9_CTD'
_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
2 '2D 1H-15N HSQC' . . . 51850 2
3 '3D HNCACB' . . . 51850 2
4 '3D CBCA(CO)NH' . . . 51850 2
5 '3D CC(CO)NH-TOCSY' . . . 51850 2
6 '3D HNCO' . . . 51850 2
7 '3D HN(CA)CO' . . . 51850 2
8 '2D 1H-13C HSQC' . . . 51850 2
9 '3D HC(CO)NH' . . . 51850 2
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 $software_2 . . 51850 2
3 $software_3 . . 51850 2
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 . 2 . 1 3 3 PRO HA H 1 4.662 0.000 . 1 . . . . . 44 PRO HA . 51850 2
2 . 2 . 1 3 3 PRO HB2 H 1 2.172 0.001 . 2 . . . . . 44 PRO HB2 . 51850 2
3 . 2 . 1 3 3 PRO HB3 H 1 1.980 0.003 . 2 . . . . . 44 PRO HB3 . 51850 2
4 . 2 . 1 3 3 PRO HG2 H 1 1.793 0.000 . 2 . . . . . 44 PRO HG2 . 51850 2
5 . 2 . 1 3 3 PRO HG3 H 1 1.644 0.001 . 2 . . . . . 44 PRO HG3 . 51850 2
6 . 2 . 1 3 3 PRO HD2 H 1 3.450 0.000 . 2 . . . . . 44 PRO HD2 . 51850 2
7 . 2 . 1 3 3 PRO HD3 H 1 3.326 0.002 . 2 . . . . . 44 PRO HD3 . 51850 2
8 . 2 . 1 3 3 PRO C C 13 176.255 0.002 . 1 . . . . . 44 PRO C . 51850 2
9 . 2 . 1 3 3 PRO CA C 13 62.842 0.021 . 1 . . . . . 44 PRO CA . 51850 2
10 . 2 . 1 3 3 PRO CB C 13 34.394 0.033 . 1 . . . . . 44 PRO CB . 51850 2
11 . 2 . 1 3 3 PRO CG C 13 24.469 0.021 . 1 . . . . . 44 PRO CG . 51850 2
12 . 2 . 1 3 3 PRO CD C 13 50.097 0.015 . 1 . . . . . 44 PRO CD . 51850 2
13 . 2 . 1 4 4 THR H H 1 8.393 0.001 . 1 . . . . . 45 THR H . 51850 2
14 . 2 . 1 4 4 THR HA H 1 4.176 0.000 . 1 . . . . . 45 THR HA . 51850 2
15 . 2 . 1 4 4 THR HB H 1 4.044 0.000 . 1 . . . . . 45 THR HB . 51850 2
16 . 2 . 1 4 4 THR HG21 H 1 1.068 0.003 . 1 . . . . . 45 THR HG21 . 51850 2
17 . 2 . 1 4 4 THR HG22 H 1 1.068 0.003 . 1 . . . . . 45 THR HG22 . 51850 2
18 . 2 . 1 4 4 THR HG23 H 1 1.068 0.003 . 1 . . . . . 45 THR HG23 . 51850 2
19 . 2 . 1 4 4 THR C C 13 174.318 0.013 . 1 . . . . . 45 THR C . 51850 2
20 . 2 . 1 4 4 THR CA C 13 62.259 0.053 . 1 . . . . . 45 THR CA . 51850 2
21 . 2 . 1 4 4 THR CB C 13 69.632 0.090 . 1 . . . . . 45 THR CB . 51850 2
22 . 2 . 1 4 4 THR CG2 C 13 21.730 0.017 . 1 . . . . . 45 THR CG2 . 51850 2
23 . 2 . 1 4 4 THR N N 15 116.724 0.023 . 1 . . . . . 45 THR N . 51850 2
24 . 2 . 1 5 5 LEU H H 1 8.295 0.001 . 1 . . . . . 46 LEU H . 51850 2
25 . 2 . 1 5 5 LEU HA H 1 4.194 0.000 . 1 . . . . . 46 LEU HA . 51850 2
26 . 2 . 1 5 5 LEU HB2 H 1 1.441 0.000 . 1 . . . . . 46 LEU HB2 . 51850 2
27 . 2 . 1 5 5 LEU HB3 H 1 1.441 0.000 . 1 . . . . . 46 LEU HB3 . 51850 2
28 . 2 . 1 5 5 LEU HG H 1 1.517 0.000 . 1 . . . . . 46 LEU HG . 51850 2
29 . 2 . 1 5 5 LEU HD11 H 1 0.710 0.003 . 2 . . . . . 46 LEU HD11 . 51850 2
30 . 2 . 1 5 5 LEU HD12 H 1 0.710 0.003 . 2 . . . . . 46 LEU HD12 . 51850 2
31 . 2 . 1 5 5 LEU HD13 H 1 0.710 0.003 . 2 . . . . . 46 LEU HD13 . 51850 2
32 . 2 . 1 5 5 LEU HD21 H 1 0.713 0.000 . 2 . . . . . 46 LEU HD21 . 51850 2
33 . 2 . 1 5 5 LEU HD22 H 1 0.713 0.000 . 2 . . . . . 46 LEU HD22 . 51850 2
34 . 2 . 1 5 5 LEU HD23 H 1 0.713 0.000 . 2 . . . . . 46 LEU HD23 . 51850 2
35 . 2 . 1 5 5 LEU C C 13 177.230 0.009 . 1 . . . . . 46 LEU C . 51850 2
36 . 2 . 1 5 5 LEU CA C 13 55.134 0.055 . 1 . . . . . 46 LEU CA . 51850 2
37 . 2 . 1 5 5 LEU CB C 13 42.155 0.040 . 1 . . . . . 46 LEU CB . 51850 2
38 . 2 . 1 5 5 LEU CG C 13 26.961 0.087 . 1 . . . . . 46 LEU CG . 51850 2
39 . 2 . 1 5 5 LEU CD1 C 13 23.232 0.006 . 2 . . . . . 46 LEU CD1 . 51850 2
40 . 2 . 1 5 5 LEU CD2 C 13 24.695 0.000 . 2 . . . . . 46 LEU CD2 . 51850 2
41 . 2 . 1 5 5 LEU N N 15 125.402 0.019 . 1 . . . . . 46 LEU N . 51850 2
42 . 2 . 1 6 6 GLU H H 1 8.297 0.002 . 1 . . . . . 47 GLU H . 51850 2
43 . 2 . 1 6 6 GLU C C 13 176.328 0.000 . 1 . . . . . 47 GLU C . 51850 2
44 . 2 . 1 6 6 GLU CA C 13 56.847 0.000 . 1 . . . . . 47 GLU CA . 51850 2
45 . 2 . 1 6 6 GLU CB C 13 30.013 0.000 . 1 . . . . . 47 GLU CB . 51850 2
46 . 2 . 1 6 6 GLU N N 15 120.964 0.016 . 1 . . . . . 47 GLU N . 51850 2
47 . 2 . 1 29 29 VAL HA H 1 4.000 0.000 . 1 . . . . . 70 VAL HA . 51850 2
48 . 2 . 1 29 29 VAL HB H 1 1.960 0.000 . 1 . . . . . 70 VAL HB . 51850 2
49 . 2 . 1 29 29 VAL HG11 H 1 0.743 0.001 . 2 . . . . . 70 VAL HG11 . 51850 2
50 . 2 . 1 29 29 VAL HG12 H 1 0.743 0.001 . 2 . . . . . 70 VAL HG12 . 51850 2
51 . 2 . 1 29 29 VAL HG13 H 1 0.743 0.001 . 2 . . . . . 70 VAL HG13 . 51850 2
52 . 2 . 1 29 29 VAL HG21 H 1 0.743 0.000 . 2 . . . . . 70 VAL HG21 . 51850 2
53 . 2 . 1 29 29 VAL HG22 H 1 0.743 0.000 . 2 . . . . . 70 VAL HG22 . 51850 2
54 . 2 . 1 29 29 VAL HG23 H 1 0.743 0.000 . 2 . . . . . 70 VAL HG23 . 51850 2
55 . 2 . 1 29 29 VAL C C 13 175.743 0.026 . 1 . . . . . 70 VAL C . 51850 2
56 . 2 . 1 29 29 VAL CA C 13 62.192 0.014 . 1 . . . . . 70 VAL CA . 51850 2
57 . 2 . 1 29 29 VAL CB C 13 32.655 0.027 . 1 . . . . . 70 VAL CB . 51850 2
58 . 2 . 1 29 29 VAL CG1 C 13 19.908 0.002 . 2 . . . . . 70 VAL CG1 . 51850 2
59 . 2 . 1 29 29 VAL CG2 C 13 20.976 0.000 . 2 . . . . . 70 VAL CG2 . 51850 2
60 . 2 . 1 30 30 GLY H H 1 7.954 0.001 . 1 . . . . . 71 GLY H . 51850 2
61 . 2 . 1 30 30 GLY C C 13 178.855 0.000 . 1 . . . . . 71 GLY C . 51850 2
62 . 2 . 1 30 30 GLY CA C 13 45.952 0.000 . 1 . . . . . 71 GLY CA . 51850 2
63 . 2 . 1 30 30 GLY N N 15 118.465 0.017 . 1 . . . . . 71 GLY N . 51850 2
64 . 2 . 1 31 31 ASP HA H 1 4.433 0.000 . 1 . . . . . 72 ASP HA . 51850 2
65 . 2 . 1 31 31 ASP HB2 H 1 2.514 0.000 . 1 . . . . . 72 ASP HB2 . 51850 2
66 . 2 . 1 31 31 ASP HB3 H 1 2.514 0.000 . 1 . . . . . 72 ASP HB3 . 51850 2
67 . 2 . 1 31 31 ASP C C 13 176.833 0.019 . 1 . . . . . 72 ASP C . 51850 2
68 . 2 . 1 31 31 ASP CA C 13 54.282 0.005 . 1 . . . . . 72 ASP CA . 51850 2
69 . 2 . 1 31 31 ASP CB C 13 41.132 0.018 . 1 . . . . . 72 ASP CB . 51850 2
70 . 2 . 1 32 32 GLY H H 1 8.269 0.002 . 1 . . . . . 73 GLY H . 51850 2
71 . 2 . 1 32 32 GLY HA2 H 1 3.790 0.000 . 1 . . . . . 73 GLY HA2 . 51850 2
72 . 2 . 1 32 32 GLY HA3 H 1 3.790 0.000 . 1 . . . . . 73 GLY HA3 . 51850 2
73 . 2 . 1 32 32 GLY C C 13 174.077 0.023 . 1 . . . . . 73 GLY C . 51850 2
74 . 2 . 1 32 32 GLY CA C 13 45.390 0.012 . 1 . . . . . 73 GLY CA . 51850 2
75 . 2 . 1 32 32 GLY N N 15 109.186 0.013 . 1 . . . . . 73 GLY N . 51850 2
76 . 2 . 1 33 33 VAL H H 1 7.808 0.003 . 1 . . . . . 74 VAL H . 51850 2
77 . 2 . 1 33 33 VAL C C 13 175.764 0.000 . 1 . . . . . 74 VAL C . 51850 2
78 . 2 . 1 33 33 VAL CA C 13 62.177 0.000 . 1 . . . . . 74 VAL CA . 51850 2
79 . 2 . 1 33 33 VAL CB C 13 32.691 0.000 . 1 . . . . . 74 VAL CB . 51850 2
80 . 2 . 1 33 33 VAL N N 15 118.991 0.017 . 1 . . . . . 74 VAL N . 51850 2
81 . 2 . 1 35 35 ASP HA H 1 4.417 0.000 . 1 . . . . . 76 ASP HA . 51850 2
82 . 2 . 1 35 35 ASP HB2 H 1 2.429 0.000 . 2 . . . . . 76 ASP HB2 . 51850 2
83 . 2 . 1 35 35 ASP HB3 H 1 2.469 0.000 . 2 . . . . . 76 ASP HB3 . 51850 2
84 . 2 . 1 35 35 ASP C C 13 174.761 0.000 . 1 . . . . . 76 ASP C . 51850 2
85 . 2 . 1 35 35 ASP CA C 13 53.979 0.035 . 1 . . . . . 76 ASP CA . 51850 2
86 . 2 . 1 35 35 ASP CB C 13 41.138 0.021 . 1 . . . . . 76 ASP CB . 51850 2
87 . 2 . 1 36 36 ALA H H 1 7.804 0.001 . 1 . . . . . 77 ALA H . 51850 2
88 . 2 . 1 36 36 ALA C C 13 175.363 0.000 . 1 . . . . . 77 ALA C . 51850 2
89 . 2 . 1 36 36 ALA CA C 13 50.415 0.000 . 1 . . . . . 77 ALA CA . 51850 2
90 . 2 . 1 36 36 ALA CB C 13 19.146 0.000 . 1 . . . . . 77 ALA CB . 51850 2
91 . 2 . 1 36 36 ALA N N 15 122.519 0.014 . 1 . . . . . 77 ALA N . 51850 2
92 . 2 . 1 37 37 PRO HA H 1 4.419 0.000 . 1 . . . . . 78 PRO HA . 51850 2
93 . 2 . 1 37 37 PRO HB2 H 1 2.158 0.000 . 2 . . . . . 78 PRO HB2 . 51850 2
94 . 2 . 1 37 37 PRO HB3 H 1 2.003 0.000 . 2 . . . . . 78 PRO HB3 . 51850 2
95 . 2 . 1 37 37 PRO HG2 H 1 1.756 0.000 . 1 . . . . . 78 PRO HG2 . 51850 2
96 . 2 . 1 37 37 PRO HG3 H 1 1.756 0.000 . 1 . . . . . 78 PRO HG3 . 51850 2
97 . 2 . 1 37 37 PRO HD2 H 1 3.337 0.000 . 1 . . . . . 78 PRO HD2 . 51850 2
98 . 2 . 1 37 37 PRO HD3 H 1 3.337 0.000 . 1 . . . . . 78 PRO HD3 . 51850 2
99 . 2 . 1 37 37 PRO C C 13 175.408 0.013 . 1 . . . . . 78 PRO C . 51850 2
100 . 2 . 1 37 37 PRO CA C 13 62.613 0.032 . 1 . . . . . 78 PRO CA . 51850 2
101 . 2 . 1 37 37 PRO CB C 13 34.122 0.024 . 1 . . . . . 78 PRO CB . 51850 2
102 . 2 . 1 37 37 PRO CG C 13 24.492 0.002 . 1 . . . . . 78 PRO CG . 51850 2
103 . 2 . 1 37 37 PRO CD C 13 50.151 0.039 . 1 . . . . . 78 PRO CD . 51850 2
104 . 2 . 1 38 38 ARG H H 1 8.095 0.001 . 1 . . . . . 79 ARG H . 51850 2
105 . 2 . 1 38 38 ARG C C 13 180.820 0.000 . 1 . . . . . 79 ARG C . 51850 2
106 . 2 . 1 38 38 ARG CA C 13 57.452 0.000 . 1 . . . . . 79 ARG CA . 51850 2
107 . 2 . 1 38 38 ARG CB C 13 31.320 0.000 . 1 . . . . . 79 ARG CB . 51850 2
108 . 2 . 1 38 38 ARG N N 15 127.145 0.018 . 1 . . . . . 79 ARG N . 51850 2
stop_
save_