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 52410
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name AtREM64
_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-13C HSQC' . . . 52410 1
2 '2D 1H-1H TOCSY' . . . 52410 1
3 '2D 1H-1H NOESY' . . . 52410 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 . . 52410 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 THR H H 1 8.071 0.003 . 1 . . 33 . . 1 THR H . 52410 1
2 . 1 . 1 1 1 THR HA H 1 4.478 0.002 . 1 . . 35 . . 1 THR HA . 52410 1
3 . 1 . 1 1 1 THR HB H 1 4.034 0.0 . 1 . . 34 . . 1 THR HB . 52410 1
4 . 1 . 1 1 1 THR HG21 H 1 1.137 0.001 . 1 . . 104 . . 1 THR HG21 . 52410 1
5 . 1 . 1 1 1 THR HG22 H 1 1.137 0.001 . 1 . . 104 . . 1 THR HG22 . 52410 1
6 . 1 . 1 1 1 THR HG23 H 1 1.137 0.001 . 1 . . 104 . . 1 THR HG23 . 52410 1
7 . 1 . 1 1 1 THR N N 15 122.146 . . 1 . . 191 . . 1 THR N . 52410 1
8 . 1 . 1 2 2 PRO HA H 1 4.272 0.002 . 1 . . 92 . . 2 PRO HA . 52410 1
9 . 1 . 1 2 2 PRO HB2 H 1 1.638 0.005 . 2 . . 91 . . 2 PRO HB2 . 52410 1
10 . 1 . 1 2 2 PRO HB3 H 1 2.104 0.004 . 2 . . 90 . . 2 PRO HB3 . 52410 1
11 . 1 . 1 2 2 PRO HG2 H 1 1.836 0.016 . 1 . . 88 . . 2 PRO HG2 . 52410 1
12 . 1 . 1 2 2 PRO HD2 H 1 3.552 0.005 . 2 . . 89 . . 2 PRO HD2 . 52410 1
13 . 1 . 1 2 2 PRO HD3 H 1 3.737 0.005 . 2 . . 87 . . 2 PRO HD3 . 52410 1
14 . 1 . 1 3 3 PHE H H 1 8.061 0.002 . 1 . . 70 . . 3 PHE H . 52410 1
15 . 1 . 1 3 3 PHE HA H 1 4.484 0.001 . 1 . . 106 . . 3 PHE HA . 52410 1
16 . 1 . 1 3 3 PHE HB2 H 1 2.978 0.008 . 2 . . 73 . . 3 PHE HB2 . 52410 1
17 . 1 . 1 3 3 PHE HB3 H 1 3.034 0.001 . 2 . . 72 . . 3 PHE HB3 . 52410 1
18 . 1 . 1 3 3 PHE HD1 H 1 7.160 0.002 . 1 . . 154 . . 3 PHE HD1 . 52410 1
19 . 1 . 1 3 3 PHE HD2 H 1 7.160 0.002 . 1 . . 154 . . 3 PHE HD2 . 52410 1
20 . 1 . 1 3 3 PHE HE1 H 1 7.269 0.002 . 1 . . 153 . . 3 PHE HE1 . 52410 1
21 . 1 . 1 3 3 PHE HE2 H 1 7.269 0.002 . 1 . . 153 . . 3 PHE HE2 . 52410 1
22 . 1 . 1 3 3 PHE HZ H 1 7.223 0.001 . 1 . . 152 . . 3 PHE HZ . 52410 1
23 . 1 . 1 3 3 PHE N N 15 119.629 . . 1 . . 71 . . 3 PHE N . 52410 1
24 . 1 . 1 4 4 MET H H 1 8.027 0.001 . 1 . . 74 . . 4 MET H . 52410 1
25 . 1 . 1 4 4 MET HA H 1 4.398 0.005 . 1 . . 76 . . 4 MET HA . 52410 1
26 . 1 . 1 4 4 MET HB2 H 1 1.962 0.005 . 2 . . 80 . . 4 MET HB2 . 52410 1
27 . 1 . 1 4 4 MET HB3 H 1 1.865 0.001 . 2 . . 77 . . 4 MET HB3 . 52410 1
28 . 1 . 1 4 4 MET HG2 H 1 2.372 0.01 . 2 . . 79 . . 4 MET HG2 . 52410 1
29 . 1 . 1 4 4 MET HG3 H 1 2.443 0.01 . 2 . . 78 . . 4 MET HG3 . 52410 1
30 . 1 . 1 4 4 MET N N 15 121.979 . . 1 . . 75 . . 4 MET N . 52410 1
31 . 1 . 1 5 5 THR H H 1 8.048 0.005 . 1 . . 29 . . 5 THR H . 52410 1
32 . 1 . 1 5 5 THR HA H 1 4.164 0.002 . 1 . . 103 . . 5 THR HA . 52410 1
33 . 1 . 1 5 5 THR HB H 1 4.052 0.002 . 1 . . 30 . . 5 THR HB . 52410 1
34 . 1 . 1 5 5 THR HG21 H 1 1.055 0.002 . 1 . . 31 . . 5 THR HG21 . 52410 1
35 . 1 . 1 5 5 THR HG22 H 1 1.055 0.002 . 1 . . 31 . . 5 THR HG22 . 52410 1
36 . 1 . 1 5 5 THR HG23 H 1 1.055 0.002 . 1 . . 31 . . 5 THR HG23 . 52410 1
37 . 1 . 1 5 5 THR N N 15 115.363 . . 1 . . 32 . . 5 THR N . 52410 1
38 . 1 . 1 6 6 CYS H H 1 8.121 0.002 . 1 . . 1 . . 6 CYS H . 52410 1
39 . 1 . 1 6 6 CYS HA H 1 4.363 0.003 . 1 . . 2 . . 6 CYS HA . 52410 1
40 . 1 . 1 6 6 CYS HB2 H 1 2.738 0.004 . 1 . . 962 . . 6 CYS HB2 . 52410 1
41 . 1 . 1 6 6 CYS N N 15 120.942 . . 1 . . 14 . . 6 CYS N . 52410 1
42 . 1 . 1 7 7 PHE H H 1 8.174 0.008 . 1 . . 65 . . 7 PHE H . 52410 1
43 . 1 . 1 7 7 PHE HA H 1 4.557 0.003 . 1 . . 67 . . 7 PHE HA . 52410 1
44 . 1 . 1 7 7 PHE HB2 H 1 3.059 0.002 . 2 . . 69 . . 7 PHE HB2 . 52410 1
45 . 1 . 1 7 7 PHE HB3 H 1 2.882 0.004 . 2 . . 68 . . 7 PHE HB3 . 52410 1
46 . 1 . 1 7 7 PHE HD1 H 1 7.155 0.006 . 1 . . 149 . . 7 PHE HD1 . 52410 1
47 . 1 . 1 7 7 PHE HD2 H 1 7.155 0.006 . 1 . . 149 . . 7 PHE HD2 . 52410 1
48 . 1 . 1 7 7 PHE HE1 H 1 7.251 0.004 . 1 . . 150 . . 7 PHE HE1 . 52410 1
49 . 1 . 1 7 7 PHE HE2 H 1 7.251 0.004 . 1 . . 150 . . 7 PHE HE2 . 52410 1
50 . 1 . 1 7 7 PHE HZ H 1 7.202 0.001 . 1 . . 151 . . 7 PHE HZ . 52410 1
51 . 1 . 1 7 7 PHE N N 15 122.863 . . 1 . . 66 . . 7 PHE N . 52410 1
52 . 1 . 1 8 8 ALA H H 1 8.004 0.003 . 1 . . 18 . . 8 ALA H . 52410 1
53 . 1 . 1 8 8 ALA HA H 1 4.478 0.006 . 1 . . 21 . . 8 ALA HA . 52410 1
54 . 1 . 1 8 8 ALA HB1 H 1 1.219 0.006 . 1 . . 19 . . 8 ALA HB1 . 52410 1
55 . 1 . 1 8 8 ALA HB2 H 1 1.219 0.006 . 1 . . 19 . . 8 ALA HB2 . 52410 1
56 . 1 . 1 8 8 ALA HB3 H 1 1.219 0.006 . 1 . . 19 . . 8 ALA HB3 . 52410 1
57 . 1 . 1 8 8 ALA N N 15 127.028 . . 1 . . 22 . . 8 ALA N . 52410 1
58 . 1 . 1 9 9 PRO HA H 1 4.275 0.004 . 1 . . 96 . . 9 PRO HA . 52410 1
59 . 1 . 1 9 9 PRO HB2 H 1 2.192 0.007 . 2 . . 98 . . 9 PRO HB2 . 52410 1
60 . 1 . 1 9 9 PRO HB3 H 1 1.780 0.001 . 2 . . 97 . . 9 PRO HB3 . 52410 1
61 . 1 . 1 9 9 PRO HG2 H 1 1.908 0.006 . 1 . . 94 . . 9 PRO HG2 . 52410 1
62 . 1 . 1 9 9 PRO HD2 H 1 3.504 0.008 . 2 . . 95 . . 9 PRO HD2 . 52410 1
63 . 1 . 1 9 9 PRO HD3 H 1 3.574 0.006 . 2 . . 93 . . 9 PRO HD3 . 52410 1
64 . 1 . 1 10 10 ARG H H 1 8.343 0.002 . 1 . . 48 . . 10 ARG H . 52410 1
65 . 1 . 1 10 10 ARG HA H 1 4.231 0.005 . 1 . . 51 . . 10 ARG HA . 52410 1
66 . 1 . 1 10 10 ARG HB2 H 1 1.678 0.001 . 2 . . 145 . . 10 ARG HB2 . 52410 1
67 . 1 . 1 10 10 ARG HB3 H 1 1.741 0.004 . 2 . . 144 . . 10 ARG HB3 . 52410 1
68 . 1 . 1 10 10 ARG HG2 H 1 1.528 0.002 . 2 . . 102 . . 10 ARG HG2 . 52410 1
69 . 1 . 1 10 10 ARG HG3 H 1 1.582 0.001 . 2 . . 101 . . 10 ARG HG3 . 52410 1
70 . 1 . 1 10 10 ARG HD2 H 1 3.113 0.003 . 1 . . 50 . . 10 ARG HD2 . 52410 1
71 . 1 . 1 10 10 ARG HE H 1 7.161 0.003 . 1 . . 100 . . 10 ARG HE . 52410 1
72 . 1 . 1 10 10 ARG N N 15 121.508 . . 1 . . 49 . . 10 ARG N . 52410 1
73 . 1 . 1 11 11 VAL H H 1 8.113 0.002 . 1 . . 3 . . 11 VAL H . 52410 1
74 . 1 . 1 11 11 VAL HA H 1 4.018 0.006 . 1 . . 4 . . 11 VAL HA . 52410 1
75 . 1 . 1 11 11 VAL HB H 1 1.965 0.004 . 1 . . 5 . . 11 VAL HB . 52410 1
76 . 1 . 1 11 11 VAL HG21 H 1 0.825 0.003 . 1 . . 716 . . 11 VAL HG21 . 52410 1
77 . 1 . 1 11 11 VAL HG22 H 1 0.825 0.003 . 1 . . 716 . . 11 VAL HG22 . 52410 1
78 . 1 . 1 11 11 VAL HG23 H 1 0.825 0.003 . 1 . . 716 . . 11 VAL HG23 . 52410 1
79 . 1 . 1 11 11 VAL N N 15 121.380 . . 1 . . 12 . . 11 VAL N . 52410 1
80 . 1 . 1 12 12 ASP H H 1 8.468 0.004 . 1 . . 24 . . 12 ASP H . 52410 1
81 . 1 . 1 12 12 ASP HA H 1 4.602 0.011 . 1 . . 25 . . 12 ASP HA . 52410 1
82 . 1 . 1 12 12 ASP HB2 H 1 2.632 0.007 . 2 . . 27 . . 12 ASP HB2 . 52410 1
83 . 1 . 1 12 12 ASP HB3 H 1 2.740 0.007 . 2 . . 26 . . 12 ASP HB3 . 52410 1
84 . 1 . 1 12 12 ASP N N 15 123.546 . . 1 . . 28 . . 12 ASP N . 52410 1
85 . 1 . 1 13 13 CYS H H 1 8.273 0.007 . 1 . . 57 . . 13 CYS H . 52410 1
86 . 1 . 1 13 13 CYS HA H 1 4.412 0.001 . 1 . . 105 . . 13 CYS HA . 52410 1
87 . 1 . 1 13 13 CYS HB2 H 1 2.844 0.005 . 1 . . 60 . . 13 CYS HB2 . 52410 1
88 . 1 . 1 13 13 CYS N N 15 120.584 . . 1 . . 58 . . 13 CYS N . 52410 1
89 . 1 . 1 14 14 ARG H H 1 8.313 0.006 . 1 . . 52 . . 14 ARG H . 52410 1
90 . 1 . 1 14 14 ARG HA H 1 4.219 0.002 . 1 . . 56 . . 14 ARG HA . 52410 1
91 . 1 . 1 14 14 ARG HB2 H 1 1.697 0.001 . 2 . . 147 . . 14 ARG HB2 . 52410 1
92 . 1 . 1 14 14 ARG HB3 H 1 1.765 0.002 . 2 . . 146 . . 14 ARG HB3 . 52410 1
93 . 1 . 1 14 14 ARG HG2 H 1 1.575 0.0 . 2 . . 148 . . 14 ARG HG2 . 52410 1
94 . 1 . 1 14 14 ARG HG3 H 1 1.549 0.0 . 2 . . 54 . . 14 ARG HG3 . 52410 1
95 . 1 . 1 14 14 ARG HD2 H 1 3.109 0.005 . 1 . . 55 . . 14 ARG HD2 . 52410 1
96 . 1 . 1 14 14 ARG HE H 1 7.193 0.001 . 1 . . 99 . . 14 ARG HE . 52410 1
97 . 1 . 1 14 14 ARG N N 15 123.349 . . 1 . . 53 . . 14 ARG N . 52410 1
98 . 1 . 1 15 15 LYS H H 1 8.239 0.002 . 1 . . 61 . . 15 LYS H . 52410 1
99 . 1 . 1 15 15 LYS HA H 1 4.255 0.005 . 1 . . 63 . . 15 LYS HA . 52410 1
100 . 1 . 1 15 15 LYS HB2 H 1 1.674 0.001 . 2 . . 82 . . 15 LYS HB2 . 52410 1
101 . 1 . 1 15 15 LYS HB3 H 1 1.762 0.004 . 2 . . 81 . . 15 LYS HB3 . 52410 1
102 . 1 . 1 15 15 LYS HG2 H 1 1.333 0.008 . 2 . . 85 . . 15 LYS HG2 . 52410 1
103 . 1 . 1 15 15 LYS HG3 H 1 1.371 0.01 . 2 . . 84 . . 15 LYS HG3 . 52410 1
104 . 1 . 1 15 15 LYS HD2 H 1 1.588 0.003 . 1 . . 83 . . 15 LYS HD2 . 52410 1
105 . 1 . 1 15 15 LYS HE2 H 1 2.904 0.001 . 1 . . 64 . . 15 LYS HE2 . 52410 1
106 . 1 . 1 15 15 LYS HZ1 H 1 7.435 0.002 . 1 . . 86 . . 15 LYS HZ1 . 52410 1
107 . 1 . 1 15 15 LYS HZ2 H 1 7.435 0.002 . 1 . . 86 . . 15 LYS HZ2 . 52410 1
108 . 1 . 1 15 15 LYS HZ3 H 1 7.435 0.002 . 1 . . 86 . . 15 LYS HZ3 . 52410 1
109 . 1 . 1 15 15 LYS N N 15 122.665 . . 1 . . 62 . . 15 LYS N . 52410 1
110 . 1 . 1 16 16 SER H H 1 8.291 0.005 . 1 . . 40 . . 16 SER H . 52410 1
111 . 1 . 1 16 16 SER HA H 1 4.384 0.007 . 1 . . 42 . . 16 SER HA . 52410 1
112 . 1 . 1 16 16 SER HB2 H 1 3.773 0.002 . 2 . . 108 . . 16 SER HB2 . 52410 1
113 . 1 . 1 16 16 SER HB3 H 1 3.827 0.0 . 2 . . 43 . . 16 SER HB3 . 52410 1
114 . 1 . 1 16 16 SER N N 15 117.288 . . 1 . . 41 . . 16 SER N . 52410 1
115 . 1 . 1 17 17 SER H H 1 8.348 0.001 . 1 . . 36 . . 17 SER H . 52410 1
116 . 1 . 1 17 17 SER HA H 1 4.404 0.005 . 1 . . 37 . . 17 SER HA . 52410 1
117 . 1 . 1 17 17 SER HB2 H 1 3.849 0.002 . 2 . . 109 . . 17 SER HB2 . 52410 1
118 . 1 . 1 17 17 SER HB3 H 1 3.791 0.004 . 2 . . 38 . . 17 SER HB3 . 52410 1
119 . 1 . 1 17 17 SER N N 15 117.863 . . 1 . . 39 . . 17 SER N . 52410 1
120 . 1 . 1 18 18 SER H H 1 8.241 0.006 . 1 . . 44 . . 18 SER H . 52410 1
121 . 1 . 1 18 18 SER HA H 1 4.359 0.012 . 1 . . 46 . . 18 SER HA . 52410 1
122 . 1 . 1 18 18 SER HB2 H 1 3.753 0.009 . 2 . . 107 . . 18 SER HB2 . 52410 1
123 . 1 . 1 18 18 SER HB3 H 1 3.810 0.013 . 2 . . 45 . . 18 SER HB3 . 52410 1
124 . 1 . 1 18 18 SER N N 15 117.678 . . 1 . . 47 . . 18 SER N . 52410 1
125 . 1 . 1 19 19 ALA H H 1 8.203 0.003 . 1 . . 15 . . 19 ALA H . 52410 1
126 . 1 . 1 19 19 ALA HA H 1 4.229 0.006 . 1 . . 16 . . 19 ALA HA . 52410 1
127 . 1 . 1 19 19 ALA HB1 H 1 1.307 0.014 . 1 . . 17 . . 19 ALA HB1 . 52410 1
128 . 1 . 1 19 19 ALA HB2 H 1 1.307 0.014 . 1 . . 17 . . 19 ALA HB2 . 52410 1
129 . 1 . 1 19 19 ALA HB3 H 1 1.307 0.014 . 1 . . 17 . . 19 ALA HB3 . 52410 1
130 . 1 . 1 19 19 ALA N N 15 125.966 . . 1 . . 23 . . 19 ALA N . 52410 1
131 . 1 . 1 20 20 LEU H H 1 8.009 0.002 . 1 . . 7 . . 20 LEU H . 52410 1
132 . 1 . 1 20 20 LEU HA H 1 4.182 0.009 . 1 . . 11 . . 20 LEU HA . 52410 1
133 . 1 . 1 20 20 LEU HB2 H 1 1.565 0.004 . 1 . . 9 . . 20 LEU HB2 . 52410 1
134 . 1 . 1 20 20 LEU HG H 1 1.502 0.003 . 1 . . 10 . . 20 LEU HG . 52410 1
135 . 1 . 1 20 20 LEU HD11 H 1 0.780 0.004 . 2 . . 6 . . 20 LEU HD11 . 52410 1
136 . 1 . 1 20 20 LEU HD12 H 1 0.780 0.004 . 2 . . 6 . . 20 LEU HD12 . 52410 1
137 . 1 . 1 20 20 LEU HD13 H 1 0.780 0.004 . 2 . . 6 . . 20 LEU HD13 . 52410 1
138 . 1 . 1 20 20 LEU HD21 H 1 0.834 0.007 . 2 . . 8 . . 20 LEU HD21 . 52410 1
139 . 1 . 1 20 20 LEU HD22 H 1 0.834 0.007 . 2 . . 8 . . 20 LEU HD22 . 52410 1
140 . 1 . 1 20 20 LEU HD23 H 1 0.834 0.007 . 2 . . 8 . . 20 LEU HD23 . 52410 1
141 . 1 . 1 20 20 LEU N N 15 121.468 . . 1 . . 13 . . 20 LEU N . 52410 1
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