Content for NMR-STAR saveframe, "assigned_chem_shift_list_1_2"
save_assigned_chem_shift_list_1_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1_2
_Assigned_chem_shift_list.Entry_ID 17693
_Assigned_chem_shift_list.ID 2
_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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/2yka/ebi/orf57_3.bmrb.csh'
_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 HSQC 1 $sample_1 solution 17693 2
2 HNCA 1 $sample_1 solution 17693 2
3 CBCA(CO)NH 1 $sample_1 solution 17693 2
4 HNCACB 1 $sample_1 solution 17693 2
5 HNCO 1 $sample_1 solution 17693 2
6 HN(CA)CO 1 $sample_1 solution 17693 2
7 TOCSY-HSQC 1 $sample_1 solution 17693 2
8 HBHA(CO)NH 1 $sample_1 solution 17693 2
9 HCCH-TOCSY 1 $sample_1 solution 17693 2
10 CCH-TOCSY 1 $sample_1 solution 17693 2
11 NOESY-HSQC 1 $sample_1 solution 17693 2
12 'Filtered 13C-NOESY' 1 $sample_1 solution 17693 2
13 HSQC 2 $sample_2 solution 17693 2
14 HNCA 2 $sample_2 solution 17693 2
15 CBCA(CO)NH 2 $sample_2 solution 17693 2
16 HNCACB 2 $sample_2 solution 17693 2
17 HNCO 2 $sample_2 solution 17693 2
18 TOCSY-HSQC 2 $sample_2 solution 17693 2
19 HBHA(CO)NH 2 $sample_2 solution 17693 2
20 NOESY-HSQC 2 $sample_2 solution 17693 2
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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.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 3 3 SER C C 13 178.015 0.10 . 1 . 1 . . 3 SER C . 17693 2
2 . 1 1 4 4 MET H H 1 8.446 0.02 . 1 . 3 . . 4 MET H . 17693 2
3 . 1 1 4 4 MET C C 13 174.326 0.10 . 1 . 6 . . 4 MET C . 17693 2
4 . 1 1 4 4 MET N N 15 109.953 0.10 . 1 . 2 . . 4 MET N . 17693 2
5 . 1 1 5 5 THR H H 1 8.267 0.02 . 1 . 8 . . 5 THR H . 17693 2
6 . 1 1 5 5 THR HA H 1 4.546 0.02 . 1 . 10 . . 5 THR HA . 17693 2
7 . 1 1 5 5 THR C C 13 174.792 0.10 . 1 . 15 . . 5 THR C . 17693 2
8 . 1 1 5 5 THR CA C 13 58.479 0.10 . 1 . 9 . . 5 THR CA . 17693 2
9 . 1 1 5 5 THR CB C 13 63.905 0.10 . 1 . 11 . . 5 THR CB . 17693 2
10 . 1 1 5 5 THR N N 15 115.540 0.10 . 1 . 7 . . 5 THR N . 17693 2
11 . 1 1 6 6 GLY H H 1 8.471 0.02 . 1 . 17 . . 6 GLY H . 17693 2
12 . 1 1 6 6 GLY N N 15 117.634 0.10 . 1 . 16 . . 6 GLY N . 17693 2
13 . 1 1 7 7 GLY C C 13 174.408 0.10 . 1 . 20 . . 7 GLY C . 17693 2
14 . 1 1 8 8 GLN H H 1 8.495 0.02 . 1 . 22 . . 8 GLN H . 17693 2
15 . 1 1 8 8 GLN HA H 1 4.451 0.02 . 1 . 24 . . 8 GLN HA . 17693 2
16 . 1 1 8 8 GLN HB2 H 1 1.798 0.02 . 2 . 26 . . 8 GLN HB2 . 17693 2
17 . 1 1 8 8 GLN HB3 H 1 1.881 0.02 . 2 . 27 . . 8 GLN HB3 . 17693 2
18 . 1 1 8 8 GLN HG2 H 1 1.463 0.02 . 1 . 29 . . 8 GLN HG2 . 17693 2
19 . 1 1 8 8 GLN C C 13 176.334 0.10 . 1 . 33 . . 8 GLN C . 17693 2
20 . 1 1 8 8 GLN CA C 13 56.269 0.10 . 1 . 23 . . 8 GLN CA . 17693 2
21 . 1 1 8 8 GLN CB C 13 33.027 0.10 . 1 . 25 . . 8 GLN CB . 17693 2
22 . 1 1 8 8 GLN CG C 13 24.645 0.10 . 1 . 28 . . 8 GLN CG . 17693 2
23 . 1 1 8 8 GLN N N 15 123.996 0.10 . 1 . 21 . . 8 GLN N . 17693 2
24 . 1 1 9 9 GLN H H 1 8.197 0.02 . 1 . 35 . . 9 GLN H . 17693 2
25 . 1 1 9 9 GLN HA H 1 4.459 0.02 . 1 . 36 . . 9 GLN HA . 17693 2
26 . 1 1 9 9 GLN HG2 H 1 1.304 0.02 . 1 . 37 . . 9 GLN HG2 . 17693 2
27 . 1 1 9 9 GLN N N 15 116.666 0.10 . 1 . 34 . . 9 GLN N . 17693 2
28 . 1 1 10 10 MET H H 1 9.637 0.02 . 1 . 43 . . 10 MET H . 17693 2
29 . 1 1 10 10 MET HA H 1 4.543 0.02 . 1 . 45 . . 10 MET HA . 17693 2
30 . 1 1 10 10 MET HB2 H 1 4.580 0.02 . 2 . 46 . . 10 MET HB2 . 17693 2
31 . 1 1 10 10 MET HB3 H 1 4.105 0.02 . 2 . 47 . . 10 MET HB3 . 17693 2
32 . 1 1 10 10 MET C C 13 174.228 0.10 . 1 . 48 . . 10 MET C . 17693 2
33 . 1 1 10 10 MET CA C 13 57.783 0.10 . 1 . 44 . . 10 MET CA . 17693 2
34 . 1 1 10 10 MET N N 15 117.098 0.10 . 1 . 42 . . 10 MET N . 17693 2
35 . 1 1 11 11 GLY H H 1 9.194 0.02 . 1 . 50 . . 11 GLY H . 17693 2
36 . 1 1 11 11 GLY C C 13 174.469 0.10 . 1 . 53 . . 11 GLY C . 17693 2
37 . 1 1 11 11 GLY N N 15 124.633 0.10 . 1 . 49 . . 11 GLY N . 17693 2
38 . 1 1 12 12 ARG H H 1 9.139 0.02 . 1 . 55 . . 12 ARG H . 17693 2
39 . 1 1 12 12 ARG HA H 1 3.983 0.02 . 1 . 57 . . 12 ARG HA . 17693 2
40 . 1 1 12 12 ARG C C 13 179.301 0.10 . 1 . 66 . . 12 ARG C . 17693 2
41 . 1 1 12 12 ARG CB C 13 17.736 0.10 . 1 . 58 . . 12 ARG CB . 17693 2
42 . 1 1 12 12 ARG N N 15 122.622 0.10 . 1 . 54 . . 12 ARG N . 17693 2
43 . 1 1 13 13 ASP H H 1 7.743 0.02 . 1 . 68 . . 13 ASP H . 17693 2
44 . 1 1 13 13 ASP HA H 1 4.386 0.02 . 1 . 70 . . 13 ASP HA . 17693 2
45 . 1 1 13 13 ASP HB2 H 1 2.888 0.02 . 2 . 72 . . 13 ASP HB2 . 17693 2
46 . 1 1 13 13 ASP HB3 H 1 2.555 0.02 . 2 . 73 . . 13 ASP HB3 . 17693 2
47 . 1 1 13 13 ASP CA C 13 57.323 0.10 . 1 . 69 . . 13 ASP CA . 17693 2
48 . 1 1 13 13 ASP CB C 13 40.160 0.10 . 1 . 71 . . 13 ASP CB . 17693 2
49 . 1 1 13 13 ASP N N 15 116.437 0.10 . 1 . 67 . . 13 ASP N . 17693 2
50 . 1 1 14 14 PRO HA H 1 3.992 0.02 . 1 . 76 . . 14 PRO HA . 17693 2
51 . 1 1 14 14 PRO HB2 H 1 1.811 0.02 . 2 . 78 . . 14 PRO HB2 . 17693 2
52 . 1 1 14 14 PRO HB3 H 1 1.925 0.02 . 2 . 79 . . 14 PRO HB3 . 17693 2
53 . 1 1 14 14 PRO HG2 H 1 1.478 0.02 . 2 . 81 . . 14 PRO HG2 . 17693 2
54 . 1 1 14 14 PRO HG3 H 1 1.884 0.02 . 2 . 82 . . 14 PRO HG3 . 17693 2
55 . 1 1 14 14 PRO HD2 H 1 3.238 0.02 . 2 . 83 . . 14 PRO HD2 . 17693 2
56 . 1 1 14 14 PRO HD3 H 1 3.176 0.02 . 2 . 84 . . 14 PRO HD3 . 17693 2
57 . 1 1 14 14 PRO C C 13 179.791 0.10 . 1 . 85 . . 14 PRO C . 17693 2
58 . 1 1 14 14 PRO CA C 13 59.824 0.10 . 1 . 75 . . 14 PRO CA . 17693 2
59 . 1 1 14 14 PRO CB C 13 29.026 0.10 . 1 . 77 . . 14 PRO CB . 17693 2
60 . 1 1 14 14 PRO CG C 13 28.294 0.10 . 1 . 80 . . 14 PRO CG . 17693 2
61 . 1 1 14 14 PRO CD C 13 43.822 0.10 . 1 . 74 . . 14 PRO CD . 17693 2
62 . 1 1 15 15 ASP H H 1 8.233 0.02 . 1 . 87 . . 15 ASP H . 17693 2
63 . 1 1 15 15 ASP HA H 1 3.209 0.02 . 1 . 89 . . 15 ASP HA . 17693 2
64 . 1 1 15 15 ASP C C 13 177.905 0.10 . 1 . 93 . . 15 ASP C . 17693 2
65 . 1 1 15 15 ASP CA C 13 66.711 0.10 . 1 . 88 . . 15 ASP CA . 17693 2
66 . 1 1 15 15 ASP CB C 13 30.350 0.10 . 1 . 90 . . 15 ASP CB . 17693 2
67 . 1 1 15 15 ASP N N 15 123.264 0.10 . 1 . 86 . . 15 ASP N . 17693 2
68 . 1 1 16 16 LYS H H 1 8.234 0.02 . 1 . 95 . . 16 LYS H . 17693 2
69 . 1 1 16 16 LYS HA H 1 4.017 0.02 . 1 . 97 . . 16 LYS HA . 17693 2
70 . 1 1 16 16 LYS HB2 H 1 1.829 0.02 . 2 . 99 . . 16 LYS HB2 . 17693 2
71 . 1 1 16 16 LYS HB3 H 1 1.918 0.02 . 2 . 100 . . 16 LYS HB3 . 17693 2
72 . 1 1 16 16 LYS HG2 H 1 1.769 0.02 . 2 . 102 . . 16 LYS HG2 . 17693 2
73 . 1 1 16 16 LYS HG3 H 1 1.727 0.02 . 2 . 103 . . 16 LYS HG3 . 17693 2
74 . 1 1 16 16 LYS HD2 H 1 3.255 0.02 . 2 . 105 . . 16 LYS HD2 . 17693 2
75 . 1 1 16 16 LYS HD3 H 1 3.166 0.02 . 2 . 106 . . 16 LYS HD3 . 17693 2
76 . 1 1 16 16 LYS C C 13 179.871 0.10 . 1 . 110 . . 16 LYS C . 17693 2
77 . 1 1 16 16 LYS CA C 13 60.635 0.10 . 1 . 96 . . 16 LYS CA . 17693 2
78 . 1 1 16 16 LYS CB C 13 30.339 0.10 . 1 . 98 . . 16 LYS CB . 17693 2
79 . 1 1 16 16 LYS CG C 13 27.895 0.10 . 1 . 101 . . 16 LYS CG . 17693 2
80 . 1 1 16 16 LYS CD C 13 43.635 0.10 . 1 . 104 . . 16 LYS CD . 17693 2
81 . 1 1 16 16 LYS N N 15 119.465 0.10 . 1 . 94 . . 16 LYS N . 17693 2
82 . 1 1 17 17 TRP H H 1 7.964 0.02 . 1 . 112 . . 17 TRP H . 17693 2
83 . 1 1 17 17 TRP HA H 1 4.099 0.02 . 1 . 114 . . 17 TRP HA . 17693 2
84 . 1 1 17 17 TRP HB2 H 1 2.075 0.02 . 2 . 116 . . 17 TRP HB2 . 17693 2
85 . 1 1 17 17 TRP HB3 H 1 2.079 0.02 . 2 . 117 . . 17 TRP HB3 . 17693 2
86 . 1 1 17 17 TRP C C 13 178.405 0.10 . 1 . 130 . . 17 TRP C . 17693 2
87 . 1 1 17 17 TRP CA C 13 59.064 0.10 . 1 . 113 . . 17 TRP CA . 17693 2
88 . 1 1 17 17 TRP CB C 13 29.608 0.10 . 1 . 115 . . 17 TRP CB . 17693 2
89 . 1 1 17 17 TRP N N 15 119.747 0.10 . 1 . 111 . . 17 TRP N . 17693 2
90 . 1 1 18 18 GLN H H 1 7.958 0.02 . 1 . 132 . . 18 GLN H . 17693 2
91 . 1 1 18 18 GLN HA H 1 4.166 0.02 . 1 . 134 . . 18 GLN HA . 17693 2
92 . 1 1 18 18 GLN C C 13 180.738 0.10 . 1 . 143 . . 18 GLN C . 17693 2
93 . 1 1 18 18 GLN CA C 13 54.764 0.10 . 1 . 133 . . 18 GLN CA . 17693 2
94 . 1 1 18 18 GLN CB C 13 18.415 0.10 . 1 . 135 . . 18 GLN CB . 17693 2
95 . 1 1 18 18 GLN N N 15 122.811 0.10 . 1 . 131 . . 18 GLN N . 17693 2
96 . 1 1 19 19 HIS H H 1 8.623 0.02 . 1 . 145 . . 19 HIS H . 17693 2
97 . 1 1 19 19 HIS HA H 1 4.162 0.02 . 1 . 147 . . 19 HIS HA . 17693 2
98 . 1 1 19 19 HIS C C 13 179.019 0.10 . 1 . 150 . . 19 HIS C . 17693 2
99 . 1 1 19 19 HIS CA C 13 54.323 0.10 . 1 . 146 . . 19 HIS CA . 17693 2
100 . 1 1 19 19 HIS N N 15 120.271 0.10 . 1 . 144 . . 19 HIS N . 17693 2
101 . 1 1 20 20 ASP H H 1 7.736 0.02 . 1 . 152 . . 20 ASP H . 17693 2
102 . 1 1 20 20 ASP HA H 1 4.278 0.02 . 1 . 154 . . 20 ASP HA . 17693 2
103 . 1 1 20 20 ASP C C 13 178.651 0.10 . 1 . 158 . . 20 ASP C . 17693 2
104 . 1 1 20 20 ASP CA C 13 53.674 0.10 . 1 . 153 . . 20 ASP CA . 17693 2
105 . 1 1 20 20 ASP CB C 13 18.450 0.10 . 1 . 155 . . 20 ASP CB . 17693 2
106 . 1 1 20 20 ASP N N 15 120.162 0.10 . 1 . 151 . . 20 ASP N . 17693 2
107 . 1 1 21 21 LEU H H 1 7.652 0.02 . 1 . 160 . . 21 LEU H . 17693 2
108 . 1 1 21 21 LEU HA H 1 4.321 0.02 . 1 . 162 . . 21 LEU HA . 17693 2
109 . 1 1 21 21 LEU HB2 H 1 2.271 0.02 . 2 . 164 . . 21 LEU HB2 . 17693 2
110 . 1 1 21 21 LEU HB3 H 1 2.100 0.02 . 2 . 165 . . 21 LEU HB3 . 17693 2
111 . 1 1 21 21 LEU C C 13 176.106 0.10 . 1 . 171 . . 21 LEU C . 17693 2
112 . 1 1 21 21 LEU CA C 13 56.010 0.10 . 1 . 161 . . 21 LEU CA . 17693 2
113 . 1 1 21 21 LEU CB C 13 28.856 0.10 . 1 . 163 . . 21 LEU CB . 17693 2
114 . 1 1 21 21 LEU CG C 13 33.727 0.10 . 1 . 166 . . 21 LEU CG . 17693 2
115 . 1 1 21 21 LEU N N 15 115.793 0.10 . 1 . 159 . . 21 LEU N . 17693 2
116 . 1 1 22 22 PHE H H 1 7.707 0.02 . 1 . 173 . . 22 PHE H . 17693 2
117 . 1 1 22 22 PHE HA H 1 4.377 0.02 . 1 . 175 . . 22 PHE HA . 17693 2
118 . 1 1 22 22 PHE HB2 H 1 1.899 0.02 . 2 . 177 . . 22 PHE HB2 . 17693 2
119 . 1 1 22 22 PHE HB3 H 1 1.995 0.02 . 2 . 178 . . 22 PHE HB3 . 17693 2
120 . 1 1 22 22 PHE HD2 H 1 3.258 0.02 . 3 . 184 . . 22 PHE HD2 . 17693 2
121 . 1 1 22 22 PHE C C 13 175.253 0.10 . 1 . 185 . . 22 PHE C . 17693 2
122 . 1 1 22 22 PHE CA C 13 56.409 0.10 . 1 . 174 . . 22 PHE CA . 17693 2
123 . 1 1 22 22 PHE CB C 13 30.567 0.10 . 1 . 176 . . 22 PHE CB . 17693 2
124 . 1 1 22 22 PHE N N 15 120.399 0.10 . 1 . 172 . . 22 PHE N . 17693 2
125 . 1 1 23 23 ASP H H 1 7.899 0.02 . 1 . 187 . . 23 ASP H . 17693 2
126 . 1 1 23 23 ASP HA H 1 4.236 0.02 . 1 . 189 . . 23 ASP HA . 17693 2
127 . 1 1 23 23 ASP HB2 H 1 1.767 0.02 . 2 . 191 . . 23 ASP HB2 . 17693 2
128 . 1 1 23 23 ASP HB3 H 1 1.910 0.02 . 2 . 192 . . 23 ASP HB3 . 17693 2
129 . 1 1 23 23 ASP CA C 13 57.173 0.10 . 1 . 188 . . 23 ASP CA . 17693 2
130 . 1 1 23 23 ASP CB C 13 31.568 0.10 . 1 . 190 . . 23 ASP CB . 17693 2
131 . 1 1 23 23 ASP N N 15 127.684 0.10 . 1 . 186 . . 23 ASP N . 17693 2
stop_
save_