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 18897
_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/4b1q/ebi/cctxglycan.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 NOESY 1 $sample_1 solution 18897 2
2 TOCSY 1 $sample_1 solution 18897 2
3 COSY 1 $sample_1 solution 18897 2
4 H2BC 1 $sample_1 solution 18897 2
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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 1 1 A2G H1 H 1 4.835 . . 1 . 255 . . 1 A2G H1 . 18897 2
2 . 1 1 1 1 A2G H2 H 1 4.286 . . 1 . 257 . . 1 A2G H2 . 18897 2
3 . 1 1 1 1 A2G H3 H 1 4.238 . . 1 . 261 . . 1 A2G H3 . 18897 2
4 . 1 1 1 1 A2G H4 H 1 4.156 . . 1 . 263 . . 1 A2G H4 . 18897 2
5 . 1 1 1 1 A2G H5 H 1 4.066 . . 1 . 265 . . 1 A2G H5 . 18897 2
6 . 1 1 1 1 A2G H6 H 1 3.848 . . 1 . 268 . . 1 A2G H6 . 18897 2
7 . 1 1 1 1 A2G H8 H 1 2.052 . . 1 . 259 . . 1 A2G H8 . 18897 2
8 . 1 1 1 1 A2G H8A H 1 2.052 . . 1 . 259 . . 1 A2G H8A . 18897 2
9 . 1 1 1 1 A2G H8B H 1 2.052 . . 1 . 259 . . 1 A2G H8B . 18897 2
10 . 1 1 1 1 A2G H14 H 1 3.533 . . 1 . 267 . . 1 A2G H14 . 18897 2
11 . 1 1 1 1 A2G HN2 H 1 8.483 . . 1 . 258 . . 1 A2G HN2 . 18897 2
12 . 1 1 1 1 A2G C1 C 13 100.875 . . 1 . 254 . . 1 A2G C1 . 18897 2
13 . 1 1 1 1 A2G C2 C 13 51.393 . . 1 . 256 . . 1 A2G C2 . 18897 2
14 . 1 1 1 1 A2G C3 C 13 75.605 . . 1 . 260 . . 1 A2G C3 . 18897 2
15 . 1 1 1 1 A2G C4 C 13 71.855 . . 1 . 262 . . 1 A2G C4 . 18897 2
16 . 1 1 1 1 A2G C5 C 13 71.278 . . 1 . 264 . . 1 A2G C5 . 18897 2
17 . 1 1 1 1 A2G C6 C 13 68.894 . . 1 . 266 . . 1 A2G C6 . 18897 2
18 . 1 1 2 2 NDG H1 H 1 4.819 0.001 . 1 . 270 . . 2 NDG H1 . 18897 2
19 . 1 1 2 2 NDG H2 H 1 3.953 0.003 . 1 . 272 . . 2 NDG H2 . 18897 2
20 . 1 1 2 2 NDG H3 H 1 3.841 0.004 . 1 . 276 . . 2 NDG H3 . 18897 2
21 . 1 1 2 2 NDG H4 H 1 3.610 0.001 . 1 . 278 . . 2 NDG H4 . 18897 2
22 . 1 1 2 2 NDG H5 H 1 3.907 0.002 . 1 . 280 . . 2 NDG H5 . 18897 2
23 . 1 1 2 2 NDG H6C1 H 1 3.842 0.001 . 1 . 282 . . 2 NDG H6C1 . 18897 2
24 . 1 1 2 2 NDG H6C2 H 1 3.842 0.001 . 1 . 283 . . 2 NDG H6C2 . 18897 2
25 . 1 1 2 2 NDG H8C1 H 1 2.042 . . 1 . 274 . . 2 NDG H8C1 . 18897 2
26 . 1 1 2 2 NDG H8C2 H 1 2.042 . . 1 . 274 . . 2 NDG H8C2 . 18897 2
27 . 1 1 2 2 NDG H8C3 H 1 2.042 . . 1 . 274 . . 2 NDG H8C3 . 18897 2
28 . 1 1 2 2 NDG HA H 1 8.101 . . 1 . 273 . . 2 NDG HA . 18897 2
29 . 1 1 2 2 NDG C1 C 13 99.152 . . 1 . 269 . . 2 NDG C1 . 18897 2
30 . 1 1 2 2 NDG C2 C 13 56.252 . . 1 . 271 . . 2 NDG C2 . 18897 2
31 . 1 1 2 2 NDG C3 C 13 72.537 . . 1 . 275 . . 2 NDG C3 . 18897 2
32 . 1 1 2 2 NDG C4 C 13 80.598 . . 1 . 277 . . 2 NDG C4 . 18897 2
33 . 1 1 2 2 NDG C5 C 13 62.515 . . 1 . 279 . . 2 NDG C5 . 18897 2
34 . 1 1 2 2 NDG C6 C 13 73.342 . . 1 . 281 . . 2 NDG C6 . 18897 2
35 . 1 1 3 3 GXL H1 H 1 5.030 0.001 . 1 . 285 . . 3 GXL H1 . 18897 2
36 . 1 1 3 3 GXL H2 H 1 3.833 0.001 . 1 . 287 . . 3 GXL H2 . 18897 2
37 . 1 1 3 3 GXL H3 H 1 3.972 0.001 . 1 . 289 . . 3 GXL H3 . 18897 2
38 . 1 1 3 3 GXL H4 H 1 3.813 . . 1 . 290 . . 3 GXL H4 . 18897 2
39 . 1 1 3 3 GXL H5 H 1 4.212 0.001 . 1 . 292 . . 3 GXL H5 . 18897 2
40 . 1 1 3 3 GXL H6C1 H 1 3.674 . . 1 . 294 . . 3 GXL H6C1 . 18897 2
41 . 1 1 3 3 GXL H6C2 H 1 3.674 . . 1 . 295 . . 3 GXL H6C2 . 18897 2
42 . 1 1 3 3 GXL C1 C 13 102.326 . . 1 . 284 . . 3 GXL C1 . 18897 2
43 . 1 1 3 3 GXL C2 C 13 70.924 . . 1 . 286 . . 3 GXL C2 . 18897 2
44 . 1 1 3 3 GXL C3 C 13 71.588 . . 1 . 288 . . 3 GXL C3 . 18897 2
45 . 1 1 3 3 GXL C5 C 13 73.234 . . 1 . 291 . . 3 GXL C5 . 18897 2
46 . 1 1 3 3 GXL C6 C 13 63.005 . . 1 . 293 . . 3 GXL C6 . 18897 2
47 . 1 1 4 4 GAL H1 H 1 4.603 0.001 . 1 . 299 . . 4 GAL H1 . 18897 2
48 . 1 1 4 4 GAL H2 H 1 3.724 0.003 . 1 . 301 . . 4 GAL H2 . 18897 2
49 . 1 1 4 4 GAL H3 H 1 3.789 0.002 . 1 . 297 . . 4 GAL H3 . 18897 2
50 . 1 1 4 4 GAL H4 H 1 3.818 . . 1 . 303 . . 4 GAL H4 . 18897 2
51 . 1 1 4 4 GAL H5 H 1 3.589 0.001 . 1 . 305 . . 4 GAL H5 . 18897 2
52 . 1 1 4 4 GAL H61 H 1 3.695 0.002 . 2 . 307 . . 4 GAL H61 . 18897 2
53 . 1 1 4 4 GAL H62 H 1 3.751 0.003 . 2 . 308 . . 4 GAL H62 . 18897 2
54 . 1 1 4 4 GAL C1 C 13 104.457 . . 1 . 298 . . 4 GAL C1 . 18897 2
55 . 1 1 4 4 GAL C2 C 13 77.573 . . 1 . 300 . . 4 GAL C2 . 18897 2
56 . 1 1 4 4 GAL C3 C 13 76.265 . . 1 . 296 . . 4 GAL C3 . 18897 2
57 . 1 1 4 4 GAL C4 C 13 71.700 . . 1 . 302 . . 4 GAL C4 . 18897 2
58 . 1 1 4 4 GAL C5 C 13 77.882 . . 1 . 304 . . 4 GAL C5 . 18897 2
59 . 1 1 4 4 GAL C6 C 13 63.675 0.013 . 1 . 306 . . 4 GAL C6 . 18897 2
60 . 1 1 5 5 GXL H1 H 1 5.340 0.001 . 1 . 310 . . 5 GXL H1 . 18897 2
61 . 1 1 5 5 GXL H2 H 1 3.789 0.003 . 1 . 312 . . 5 GXL H2 . 18897 2
62 . 1 1 5 5 GXL H3 H 1 3.676 0.002 . 1 . 314 . . 5 GXL H3 . 18897 2
63 . 1 1 5 5 GXL H4 H 1 3.859 0.002 . 1 . 316 . . 5 GXL H4 . 18897 2
64 . 1 1 5 5 GXL H5 H 1 4.240 0.001 . 1 . 318 . . 5 GXL H5 . 18897 2
65 . 1 1 5 5 GXL H6C1 H 1 3.771 0.004 . 2 . 320 . . 5 GXL H6C1 . 18897 2
66 . 1 1 5 5 GXL H6C2 H 1 3.681 0.001 . 2 . 321 . . 5 GXL H6C2 . 18897 2
67 . 1 1 5 5 GXL C1 C 13 101.240 . . 1 . 309 . . 5 GXL C1 . 18897 2
68 . 1 1 5 5 GXL C2 C 13 70.990 . . 1 . 311 . . 5 GXL C2 . 18897 2
69 . 1 1 5 5 GXL C3 C 13 71.840 . . 1 . 313 . . 5 GXL C3 . 18897 2
70 . 1 1 5 5 GXL C4 C 13 72.194 . . 1 . 315 . . 5 GXL C4 . 18897 2
71 . 1 1 5 5 GXL C5 C 13 72.918 . . 1 . 317 . . 5 GXL C5 . 18897 2
72 . 1 1 5 5 GXL C6 C 13 64.315 0.022 . 1 . 319 . . 5 GXL C6 . 18897 2
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