Content for NMR-STAR saveframe, assigned_chemical_shifts_1
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 51998
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'holo state aptazyme'
_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
1 '2D 1H-15N HSQC' . . . 51998 1
2 '2D 1H-15N TROSY' . . . 51998 1
5 '2D HNN COSY' . . . 51998 1
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
1 $software_1 . . 51998 1
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 1 1 G H1 H 1 12.785 0.003 . . . 4 . . . 8 G H1 . 51998 1
2 . 1 . 1 1 1 G N1 N 15 147.160 0.000 . . . 2 . . . 8 G N1 . 51998 1
3 . 1 . 1 2 2 C N3 N 15 197.212 0.018 . . . 2 . . . 9 C N3 . 51998 1
4 . 1 . 1 3 3 A N1 N 15 220.082 0.090 . . . 2 . . . 10 A N1 . 51998 1
5 . 1 . 1 4 4 G H1 H 1 12.865 0.013 . . . 4 . . . 11 G H1 . 51998 1
6 . 1 . 1 4 4 G N1 N 15 147.165 0.025 . . . 2 . . . 11 G N1 . 51998 1
7 . 1 . 1 5 5 G H1 H 1 13.136 0.007 . . . 4 . . . 12 G H1 . 51998 1
8 . 1 . 1 5 5 G N1 N 15 148.301 0.010 . . . 2 . . . 12 G N1 . 51998 1
9 . 1 . 1 6 6 U H3 H 1 12.442 0.009 . . . 4 . . . 13 U H3 . 51998 1
10 . 1 . 1 6 6 U N3 N 15 160.603 0.021 . . . 2 . . . 13 U N3 . 51998 1
11 . 1 . 1 9 9 A N1 N 15 223.111 0.000 . . . 1 . . . 16 A N1 . 51998 1
12 . 1 . 1 10 10 U H3 H 1 14.040 0.007 . . . 4 . . . 17 U H3 . 51998 1
13 . 1 . 1 10 10 U N3 N 15 162.595 0.033 . . . 2 . . . 17 U N3 . 51998 1
14 . 1 . 1 11 11 C N3 N 15 197.817 0.141 . . . 2 . . . 18 C N3 . 51998 1
15 . 1 . 1 12 12 C N3 N 15 198.122 0.163 . . . 2 . . . 19 C N3 . 51998 1
16 . 1 . 1 13 13 A N1 N 15 221.303 0.000 . . . 1 . . . 20 A N1 . 51998 1
17 . 1 . 1 14 14 G H1 H 1 12.443 0.003 . . . 3 . . . 21 G H1 . 51998 1
18 . 1 . 1 14 14 G N1 N 15 147.017 0.018 . . . 2 . . . 21 G N1 . 51998 1
19 . 1 . 1 15 15 C N3 N 15 196.604 0.000 . . . 1 . . . 22 C N3 . 51998 1
20 . 1 . 1 20 20 G H1 H 1 12.899 0.035 . . . 3 . . . 27 G H1 . 51998 1
21 . 1 . 1 20 20 G N1 N 15 148.054 0.013 . . . 2 . . . 27 G N1 . 51998 1
22 . 1 . 1 22 22 G H1 H 1 13.449 0.010 . . . 4 . . . 29 G H1 . 51998 1
23 . 1 . 1 22 22 G N1 N 15 148.122 0.009 . . . 2 . . . 29 G N1 . 51998 1
24 . 1 . 1 23 23 U H3 H 1 13.645 0.020 . . . 4 . . . 30 U H3 . 51998 1
25 . 1 . 1 23 23 U N3 N 15 162.169 0.005 . . . 2 . . . 30 U N3 . 51998 1
26 . 1 . 1 24 24 C N3 N 15 195.559 0.122 . . . 2 . . . 31 C N3 . 51998 1
27 . 1 . 1 25 25 C N3 N 15 196.610 0.000 . . . 1 . . . 32 C N3 . 51998 1
28 . 1 . 1 28 28 A N7 N 15 229.215 0.087 . . . 2 . . . 35 A N7 . 51998 1
29 . 1 . 1 31 31 A N7 N 15 230.730 0.000 . . . 1 . . . 38 A N7 . 51998 1
30 . 1 . 1 32 32 G H1 H 1 12.380 0.007 . . . 3 . . . 39 G H1 . 51998 1
31 . 1 . 1 32 32 G N1 N 15 146.583 0.007 . . . 2 . . . 39 G N1 . 51998 1
32 . 1 . 1 33 33 G H1 H 1 11.936 0.005 . . . 4 . . . 40 G H1 . 51998 1
33 . 1 . 1 33 33 G N1 N 15 146.122 0.008 . . . 2 . . . 40 G N1 . 51998 1
34 . 1 . 1 34 34 A N1 N 15 220.065 0.109 . . . 2 . . . 41 A N1 . 51998 1
35 . 1 . 1 35 35 C N3 N 15 198.059 0.430 . . . 2 . . . 42 C N3 . 51998 1
36 . 1 . 1 39 39 A N1 N 15 220.010 0.000 . . . 1 . . . 46 A N1 . 51998 1
37 . 1 . 1 41 41 G H1 H 1 9.571 0.003 . . . 2 . . . 48 G H1 . 51998 1
38 . 1 . 1 41 41 G N1 N 15 144.334 0.017 . . . 2 . . . 48 G N1 . 51998 1
39 . 1 . 1 42 42 G H1 H 1 12.199 0.016 . . . 4 . . . 49 G H1 . 51998 1
40 . 1 . 1 42 42 G N1 N 15 146.928 0.002 . . . 2 . . . 49 G N1 . 51998 1
41 . 1 . 1 43 43 G H1 H 1 12.775 0.010 . . . 4 . . . 50 G H1 . 51998 1
42 . 1 . 1 43 43 G N1 N 15 147.368 0.014 . . . 2 . . . 50 G N1 . 51998 1
43 . 1 . 1 45 45 G H1 H 1 10.452 0.002 . . . 2 . . . 52 G H1 . 51998 1
44 . 1 . 1 45 45 G N1 N 15 145.882 0.002 . . . 2 . . . 52 G N1 . 51998 1
45 . 1 . 1 47 47 G H1 H 1 13.055 0.003 . . . 4 . . . 54 G H1 . 51998 1
46 . 1 . 1 47 47 G N1 N 15 147.387 0.018 . . . 2 . . . 54 G N1 . 51998 1
47 . 1 . 1 48 48 G H1 H 1 13.165 0.001 . . . 4 . . . 55 G H1 . 51998 1
48 . 1 . 1 48 48 G N1 N 15 147.892 0.015 . . . 2 . . . 55 G N1 . 51998 1
49 . 1 . 1 49 49 U H3 H 1 13.620 0.010 . . . 4 . . . 56 U H3 . 51998 1
50 . 1 . 1 49 49 U N3 N 15 161.649 0.017 . . . 2 . . . 56 U N3 . 51998 1
51 . 1 . 1 50 50 G H1 H 1 11.929 0.011 . . . 4 . . . 57 G H1 . 51998 1
52 . 1 . 1 50 50 G N1 N 15 146.036 0.023 . . . 2 . . . 57 G N1 . 51998 1
53 . 1 . 1 62 62 C N3 N 15 197.633 0.005 . . . 2 . . . 69 C N3 . 51998 1
54 . 1 . 1 63 63 A N1 N 15 220.221 0.031 . . . 2 . . . 70 A N1 . 51998 1
55 . 1 . 1 64 64 C N3 N 15 198.011 0.051 . . . 2 . . . 71 C N3 . 51998 1
56 . 1 . 1 65 65 C N3 N 15 196.716 0.003 . . . 2 . . . 72 C N3 . 51998 1
57 . 1 . 1 66 66 U H3 H 1 12.631 0.005 . . . 4 . . . 73 U H3 . 51998 1
58 . 1 . 1 66 66 U N3 N 15 161.459 0.014 . . . 2 . . . 73 U N3 . 51998 1
59 . 1 . 1 67 67 A N1 N 15 220.737 0.061 . . . 2 . . . 74 A N1 . 51998 1
60 . 1 . 1 68 68 G H1 H 1 12.853 0.004 . . . 4 . . . 75 G H1 . 51998 1
61 . 1 . 1 68 68 G N1 N 15 147.095 0.013 . . . 2 . . . 75 G N1 . 51998 1
62 . 1 . 1 69 69 G H1 H 1 13.261 0.005 . . . 4 . . . 76 G H1 . 51998 1
63 . 1 . 1 69 69 G N1 N 15 148.757 0.009 . . . 2 . . . 76 G N1 . 51998 1
64 . 1 . 1 70 70 C N3 N 15 197.740 0.062 . . . 2 . . . 77 C N3 . 51998 1
65 . 1 . 1 71 71 U H3 H 1 14.077 0.001 . . . 4 . . . 78 U H3 . 51998 1
66 . 1 . 1 71 71 U N3 N 15 162.812 0.029 . . . 2 . . . 78 U N3 . 51998 1
67 . 1 . 1 72 72 C N3 N 15 196.100 0.035 . . . 2 . . . 79 C N3 . 51998 1
68 . 1 . 1 77 77 G H1 H 1 12.111 0.004 . . . 4 . . . 84 G H1 . 51998 1
69 . 1 . 1 77 77 G N1 N 15 146.520 0.011 . . . 2 . . . 84 G N1 . 51998 1
70 . 1 . 1 78 78 A N1 N 15 221.334 0.014 . . . 2 . . . 85 A N1 . 51998 1
71 . 1 . 1 79 79 G H1 H 1 13.385 0.001 . . . 4 . . . 86 G H1 . 51998 1
72 . 1 . 1 79 79 G N1 N 15 148.498 0.010 . . . 2 . . . 86 G N1 . 51998 1
73 . 1 . 1 80 80 C N3 N 15 197.897 0.055 . . . 2 . . . 87 C N3 . 51998 1
74 . 1 . 1 81 81 C N3 N 15 196.457 0.067 . . . 2 . . . 88 C N3 . 51998 1
75 . 1 . 1 82 82 U H3 H 1 13.707 0.005 . . . 4 . . . 89 U H3 . 51998 1
76 . 1 . 1 82 82 U N3 N 15 161.922 0.040 . . . 2 . . . 89 U N3 . 51998 1
77 . 1 . 1 83 83 A N1 N 15 222.178 0.061 . . . 2 . . . 90 A N1 . 51998 1
78 . 1 . 1 91 91 C N3 N 15 196.459 0.071 . . . 2 . . . 98 C N3 . 51998 1
79 . 1 . 1 92 92 C N3 N 15 199.167 0.002 . . . 2 . . . 99 C N3 . 51998 1
80 . 1 . 1 93 93 U H3 H 1 10.853 0.001 . . . 2 . . . 100 U H3 . 51998 1
81 . 1 . 1 93 93 U N3 N 15 156.787 0.003 . . . 2 . . . 100 U N3 . 51998 1
82 . 1 . 1 94 94 U H3 H 1 13.818 0.000 . . . 2 . . . 101 U H3 . 51998 1
83 . 1 . 1 94 94 U N3 N 15 161.763 0.010 . . . 2 . . . 101 U N3 . 51998 1
84 . 1 . 1 95 95 U H3 H 1 13.500 0.007 . . . 3 . . . 102 U H3 . 51998 1
85 . 1 . 1 95 95 U N3 N 15 160.746 0.011 . . . 2 . . . 102 U N3 . 51998 1
86 . 1 . 1 97 97 C N3 N 15 197.653 0.000 . . . 1 . . . 104 C N3 . 51998 1
87 . 1 . 1 98 98 U H3 H 1 14.098 0.007 . . . 3 . . . 105 U H3 . 51998 1
88 . 1 . 1 98 98 U N3 N 15 162.265 0.020 . . . 2 . . . 105 U N3 . 51998 1
89 . 1 . 1 99 99 G H1 H 1 12.379 0.006 . . . 4 . . . 106 G H1 . 51998 1
90 . 1 . 1 99 99 G N1 N 15 147.236 0.036 . . . 2 . . . 106 G N1 . 51998 1
91 . 1 . 1 100 100 G H1 H 1 12.402 0.013 . . . 4 . . . 107 G H1 . 51998 1
92 . 1 . 1 100 100 G N1 N 15 146.572 0.006 . . . 2 . . . 107 G N1 . 51998 1
93 . 1 . 1 101 101 A N1 N 15 222.974 0.038 . . . 2 . . . 108 A N1 . 51998 1
94 . 1 . 1 102 102 U H3 H 1 13.777 0.007 . . . 3 . . . 109 U H3 . 51998 1
95 . 1 . 1 102 102 U N3 N 15 161.468 0.030 . . . 2 . . . 109 U N3 . 51998 1
96 . 1 . 1 103 103 U H3 H 1 13.310 0.034 . . . 3 . . . 110 U H3 . 51998 1
97 . 1 . 1 103 103 U N3 N 15 160.700 0.012 . . . 2 . . . 110 U N3 . 51998 1
98 . 1 . 1 104 104 C N3 N 15 198.293 0.008 . . . 2 . . . 111 C N3 . 51998 1
99 . 1 . 1 105 105 C N3 N 15 196.486 0.041 . . . 2 . . . 112 C N3 . 51998 1
100 . 1 . 1 106 106 U H3 H 1 13.407 0.003 . . . 4 . . . 113 U H3 . 51998 1
101 . 1 . 1 106 106 U N3 N 15 161.809 0.008 . . . 2 . . . 113 U N3 . 51998 1
102 . 1 . 1 107 107 G H1 H 1 12.650 0.012 . . . 4 . . . 114 G H1 . 51998 1
103 . 1 . 1 107 107 G N1 N 15 147.449 0.000 . . . 2 . . . 114 G N1 . 51998 1
104 . 1 . 1 108 108 C N3 N 15 196.116 0.037 . . . 2 . . . 115 C N3 . 51998 1
stop_
save_