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 51857
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 'Assigned chemical shifts for the minor conformer of MazE9'
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_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-1H TOCSY' . . . 51857 2
2 '2D 1H-1H NOESY' . . . 51857 2
3 '2D 1H-15N HSQC' . . . 51857 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 . . 51857 2
3 $software_3 . . 51857 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 . 1 . 1 34 34 ALA CA C 13 54.528 0.000 . 1 . . . . . 37 ALA CA . 51857 2
2 . 1 . 1 34 34 ALA CB C 13 17.727 0.000 . 1 . . . . . 37 ALA CB . 51857 2
3 . 1 . 1 35 35 ILE H H 1 7.478 0.011 . 1 . . . . . 38 ILE H . 51857 2
4 . 1 . 1 35 35 ILE CA C 13 63.745 0.095 . 1 . . . . . 38 ILE CA . 51857 2
5 . 1 . 1 35 35 ILE CB C 13 37.956 0.062 . 1 . . . . . 38 ILE CB . 51857 2
6 . 1 . 1 35 35 ILE CG1 C 13 29.043 0.000 . 1 . . . . . 38 ILE CG1 . 51857 2
7 . 1 . 1 35 35 ILE CG2 C 13 18.144 0.000 . 1 . . . . . 38 ILE CG2 . 51857 2
8 . 1 . 1 35 35 ILE CD1 C 13 14.540 0.000 . 1 . . . . . 38 ILE CD1 . 51857 2
9 . 1 . 1 35 35 ILE N N 15 113.871 0.040 . 1 . . . . . 38 ILE N . 51857 2
10 . 1 . 1 36 36 ARG H H 1 7.224 0.008 . 1 . . . . . 39 ARG H . 51857 2
11 . 1 . 1 36 36 ARG CA C 13 58.927 0.051 . 1 . . . . . 39 ARG CA . 51857 2
12 . 1 . 1 36 36 ARG CB C 13 29.642 0.111 . 1 . . . . . 39 ARG CB . 51857 2
13 . 1 . 1 36 36 ARG CG C 13 27.814 0.029 . 1 . . . . . 39 ARG CG . 51857 2
14 . 1 . 1 36 36 ARG CD C 13 43.424 0.056 . 1 . . . . . 39 ARG CD . 51857 2
15 . 1 . 1 36 36 ARG N N 15 116.374 0.036 . 1 . . . . . 39 ARG N . 51857 2
16 . 1 . 1 37 37 VAL H H 1 7.289 0.016 . 1 . . . . . 40 VAL H . 51857 2
17 . 1 . 1 37 37 VAL CA C 13 62.683 0.038 . 1 . . . . . 40 VAL CA . 51857 2
18 . 1 . 1 37 37 VAL CB C 13 31.138 0.037 . 1 . . . . . 40 VAL CB . 51857 2
19 . 1 . 1 37 37 VAL CG1 C 13 20.523 0.000 . 2 . . . . . 40 VAL CG1 . 51857 2
20 . 1 . 1 37 37 VAL CG2 C 13 20.894 0.000 . 2 . . . . . 40 VAL CG2 . 51857 2
21 . 1 . 1 37 37 VAL N N 15 113.910 0.066 . 1 . . . . . 40 VAL N . 51857 2
22 . 1 . 1 38 38 LEU H H 1 7.265 0.007 . 1 . . . . . 41 LEU H . 51857 2
23 . 1 . 1 38 38 LEU CA C 13 55.130 0.022 . 1 . . . . . 41 LEU CA . 51857 2
24 . 1 . 1 38 38 LEU CB C 13 41.051 0.144 . 1 . . . . . 41 LEU CB . 51857 2
25 . 1 . 1 38 38 LEU CG C 13 25.663 0.000 . 1 . . . . . 41 LEU CG . 51857 2
26 . 1 . 1 38 38 LEU CD1 C 13 24.606 0.069 . 2 . . . . . 41 LEU CD1 . 51857 2
27 . 1 . 1 38 38 LEU CD2 C 13 20.995 0.065 . 2 . . . . . 41 LEU CD2 . 51857 2
28 . 1 . 1 38 38 LEU N N 15 120.143 0.113 . 1 . . . . . 41 LEU N . 51857 2
29 . 1 . 1 39 39 ARG H H 1 7.317 0.002 . 1 . . . . . 42 ARG H . 51857 2
30 . 1 . 1 39 39 ARG N N 15 119.403 0.006 . 1 . . . . . 42 ARG N . 51857 2
31 . 1 . 1 41 41 PRO CA C 13 62.649 0.018 . 1 . . . . . 44 PRO CA . 51857 2
32 . 1 . 1 41 41 PRO CB C 13 34.022 0.034 . 1 . . . . . 44 PRO CB . 51857 2
33 . 1 . 1 41 41 PRO CG C 13 24.492 0.000 . 1 . . . . . 44 PRO CG . 51857 2
34 . 1 . 1 41 41 PRO CD C 13 49.705 0.052 . 1 . . . . . 44 PRO CD . 51857 2
35 . 1 . 1 42 42 THR H H 1 8.246 0.008 . 1 . . . . . 45 THR H . 51857 2
36 . 1 . 1 42 42 THR CA C 13 62.229 0.000 . 1 . . . . . 45 THR CA . 51857 2
37 . 1 . 1 42 42 THR CB C 13 69.832 0.044 . 1 . . . . . 45 THR CB . 51857 2
38 . 1 . 1 42 42 THR N N 15 114.888 0.105 . 1 . . . . . 45 THR N . 51857 2
39 . 1 . 1 43 43 LEU H H 1 8.063 0.012 . 1 . . . . . 46 LEU H . 51857 2
40 . 1 . 1 43 43 LEU HB2 H 1 1.461 0.000 . 1 . . . . . 46 LEU HB2 . 51857 2
41 . 1 . 1 43 43 LEU HB3 H 1 1.461 0.000 . 1 . . . . . 46 LEU HB3 . 51857 2
42 . 1 . 1 43 43 LEU HG H 1 1.461 0.000 . 1 . . . . . 46 LEU HG . 51857 2
43 . 1 . 1 43 43 LEU HD11 H 1 0.692 0.000 . 1 . . . . . 46 LEU HD11 . 51857 2
44 . 1 . 1 43 43 LEU HD12 H 1 0.692 0.000 . 1 . . . . . 46 LEU HD12 . 51857 2
45 . 1 . 1 43 43 LEU HD13 H 1 0.692 0.000 . 1 . . . . . 46 LEU HD13 . 51857 2
46 . 1 . 1 43 43 LEU HD21 H 1 0.692 0.000 . 1 . . . . . 46 LEU HD21 . 51857 2
47 . 1 . 1 43 43 LEU HD22 H 1 0.692 0.000 . 1 . . . . . 46 LEU HD22 . 51857 2
48 . 1 . 1 43 43 LEU HD23 H 1 0.692 0.000 . 1 . . . . . 46 LEU HD23 . 51857 2
49 . 1 . 1 43 43 LEU CA C 13 55.590 0.036 . 1 . . . . . 46 LEU CA . 51857 2
50 . 1 . 1 43 43 LEU CB C 13 42.155 0.049 . 1 . . . . . 46 LEU CB . 51857 2
51 . 1 . 1 43 43 LEU N N 15 123.379 0.049 . 1 . . . . . 46 LEU N . 51857 2
52 . 1 . 1 44 44 GLU H H 1 8.218 0.005 . 1 . . . . . 47 GLU H . 51857 2
53 . 1 . 1 44 44 GLU CA C 13 56.579 0.000 . 1 . . . . . 47 GLU CA . 51857 2
54 . 1 . 1 44 44 GLU CB C 13 29.866 0.000 . 1 . . . . . 47 GLU CB . 51857 2
55 . 1 . 1 44 44 GLU CG C 13 36.129 0.000 . 1 . . . . . 47 GLU CG . 51857 2
56 . 1 . 1 44 44 GLU N N 15 120.110 0.042 . 1 . . . . . 47 GLU N . 51857 2
57 . 1 . 1 45 45 ASP H H 1 8.234 0.010 . 1 . . . . . 48 ASP H . 51857 2
58 . 1 . 1 45 45 ASP CA C 13 54.309 0.000 . 1 . . . . . 48 ASP CA . 51857 2
59 . 1 . 1 45 45 ASP CB C 13 41.020 0.000 . 1 . . . . . 48 ASP CB . 51857 2
60 . 1 . 1 45 45 ASP N N 15 120.574 0.048 . 1 . . . . . 48 ASP N . 51857 2
61 . 1 . 1 48 48 ALA CA C 13 52.751 0.135 . 1 . . . . . 51 ALA CA . 51857 2
62 . 1 . 1 48 48 ALA CB C 13 18.987 0.047 . 1 . . . . . 51 ALA CB . 51857 2
63 . 1 . 1 49 49 ASN H H 1 7.865 0.007 . 1 . . . . . 52 ASN H . 51857 2
64 . 1 . 1 49 49 ASN CA C 13 52.944 0.006 . 1 . . . . . 52 ASN CA . 51857 2
65 . 1 . 1 49 49 ASN CB C 13 38.915 0.058 . 1 . . . . . 52 ASN CB . 51857 2
66 . 1 . 1 49 49 ASN N N 15 116.573 0.035 . 1 . . . . . 52 ASN N . 51857 2
67 . 1 . 1 50 50 ALA H H 1 7.696 0.007 . 1 . . . . . 53 ALA H . 51857 2
68 . 1 . 1 50 50 ALA CA C 13 52.265 0.030 . 1 . . . . . 53 ALA CA . 51857 2
69 . 1 . 1 50 50 ALA CB C 13 19.206 0.043 . 1 . . . . . 53 ALA CB . 51857 2
70 . 1 . 1 50 50 ALA N N 15 123.834 0.032 . 1 . . . . . 53 ALA N . 51857 2
71 . 1 . 1 51 51 TRP H H 1 7.751 0.000 . 1 . . . . . 54 TRP H . 51857 2
72 . 1 . 1 51 51 TRP HA H 1 4.519 0.000 . 1 . . . . . 54 TRP HA . 51857 2
73 . 1 . 1 51 51 TRP N N 15 119.115 0.000 . 1 . . . . . 54 TRP N . 51857 2
74 . 1 . 1 54 54 TRP CA C 13 57.481 0.000 . 1 . . . . . 57 TRP CA . 51857 2
75 . 1 . 1 54 54 TRP CB C 13 29.573 0.000 . 1 . . . . . 57 TRP CB . 51857 2
76 . 1 . 1 55 55 SER H H 1 7.794 0.012 . 1 . . . . . 58 SER H . 51857 2
77 . 1 . 1 55 55 SER CA C 13 57.557 0.008 . 1 . . . . . 58 SER CA . 51857 2
78 . 1 . 1 55 55 SER CB C 13 64.002 0.004 . 1 . . . . . 58 SER CB . 51857 2
79 . 1 . 1 55 55 SER N N 15 117.993 0.018 . 1 . . . . . 58 SER N . 51857 2
80 . 1 . 1 56 56 ALA H H 1 8.036 0.007 . 1 . . . . . 59 ALA H . 51857 2
81 . 1 . 1 56 56 ALA CA C 13 52.314 0.102 . 1 . . . . . 59 ALA CA . 51857 2
82 . 1 . 1 56 56 ALA CB C 13 19.109 0.061 . 1 . . . . . 59 ALA CB . 51857 2
83 . 1 . 1 56 56 ALA N N 15 126.133 0.030 . 1 . . . . . 59 ALA N . 51857 2
84 . 1 . 1 57 57 ALA H H 1 7.643 0.007 . 1 . . . . . 60 ALA H . 51857 2
85 . 1 . 1 57 57 ALA CA C 13 53.710 0.000 . 1 . . . . . 60 ALA CA . 51857 2
86 . 1 . 1 57 57 ALA CB C 13 20.095 0.000 . 1 . . . . . 60 ALA CB . 51857 2
87 . 1 . 1 57 57 ALA N N 15 128.649 0.038 . 1 . . . . . 60 ALA N . 51857 2
88 . 1 . 1 59 59 ASP CA C 13 54.378 0.036 . 1 . . . . . 62 ASP CA . 51857 2
89 . 1 . 1 59 59 ASP CB C 13 41.049 0.000 . 1 . . . . . 62 ASP CB . 51857 2
90 . 1 . 1 60 60 THR H H 1 7.950 0.006 . 1 . . . . . 63 THR H . 51857 2
91 . 1 . 1 60 60 THR CA C 13 61.443 0.000 . 1 . . . . . 63 THR CA . 51857 2
92 . 1 . 1 60 60 THR CB C 13 69.866 0.000 . 1 . . . . . 63 THR CB . 51857 2
93 . 1 . 1 60 60 THR N N 15 112.892 0.076 . 1 . . . . . 63 THR N . 51857 2
94 . 1 . 1 64 64 GLU CA C 13 56.444 0.000 . 1 . . . . . 67 GLU CA . 51857 2
95 . 1 . 1 64 64 GLU CB C 13 30.189 0.009 . 1 . . . . . 67 GLU CB . 51857 2
96 . 1 . 1 65 65 GLN H H 1 8.027 0.023 . 1 . . . . . 68 GLN H . 51857 2
97 . 1 . 1 65 65 GLN CA C 13 55.728 0.025 . 1 . . . . . 68 GLN CA . 51857 2
98 . 1 . 1 65 65 GLN CB C 13 29.396 0.054 . 1 . . . . . 68 GLN CB . 51857 2
99 . 1 . 1 65 65 GLN N N 15 120.868 0.053 . 1 . . . . . 68 GLN N . 51857 2
100 . 1 . 1 73 73 ASP CA C 13 54.066 0.079 . 1 . . . . . 76 ASP CA . 51857 2
101 . 1 . 1 73 73 ASP CB C 13 41.162 0.048 . 1 . . . . . 76 ASP CB . 51857 2
102 . 1 . 1 74 74 ALA H H 1 7.810 0.007 . 1 . . . . . 77 ALA H . 51857 2
103 . 1 . 1 74 74 ALA HA H 1 4.195 0.004 . 1 . . . . . 77 ALA HA . 51857 2
104 . 1 . 1 74 74 ALA HB1 H 1 1.164 0.000 . 1 . . . . . 77 ALA HB1 . 51857 2
105 . 1 . 1 74 74 ALA HB2 H 1 1.164 0.000 . 1 . . . . . 77 ALA HB2 . 51857 2
106 . 1 . 1 74 74 ALA HB3 H 1 1.164 0.000 . 1 . . . . . 77 ALA HB3 . 51857 2
107 . 1 . 1 74 74 ALA CA C 13 50.355 0.074 . 1 . . . . . 77 ALA CA . 51857 2
108 . 1 . 1 74 74 ALA CB C 13 19.134 0.000 . 1 . . . . . 77 ALA CB . 51857 2
109 . 1 . 1 74 74 ALA N N 15 122.501 0.031 . 1 . . . . . 77 ALA N . 51857 2
110 . 1 . 1 75 75 PRO CA C 13 62.549 0.004 . 1 . . . . . 78 PRO CA . 51857 2
111 . 1 . 1 75 75 PRO CB C 13 34.103 0.055 . 1 . . . . . 78 PRO CB . 51857 2
112 . 1 . 1 76 76 ARG H H 1 8.102 0.007 . 1 . . . . . 79 ARG H . 51857 2
113 . 1 . 1 76 76 ARG CA C 13 57.443 0.000 . 1 . . . . . 79 ARG CA . 51857 2
114 . 1 . 1 76 76 ARG CB C 13 31.337 0.000 . 1 . . . . . 79 ARG CB . 51857 2
115 . 1 . 1 76 76 ARG N N 15 127.149 0.025 . 1 . . . . . 79 ARG N . 51857 2
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