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 53328
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name SRCRD_HAp_CS
_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 '1D 1H' . . . 53328 1
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_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 . . 53328 1
3 $software_3 . . 53328 1
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_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 GLY H H 1 4.522 0.007 . 1 . . . . . 1 GLY H . 53328 1
2 . 1 . 1 1 1 GLY HA2 H 1 3.713 0.001 . 1 . . . . . 1 GLY HA2 . 53328 1
3 . 1 . 1 1 1 GLY HA3 H 1 8.505 0.007 . 1 . . . . . 1 GLY HA3 . 53328 1
4 . 1 . 1 2 2 ASP H H 1 2.43 0.015 . 1 . . . . . 2 ASP H . 53328 1
5 . 1 . 1 2 2 ASP HB2 H 1 2.543 0.007 . 1 . . . . . 2 ASP QB . 53328 1
6 . 1 . 1 2 2 ASP HB3 H 1 2.543 0.007 . 1 . . . . . 2 ASP QB . 53328 1
7 . 1 . 1 3 3 ASP H H 1 8.305 0.015 . 1 . . . . . 3 ASP H . 53328 1
8 . 1 . 1 3 3 ASP HA H 1 4.479 0.007 . 1 . . . . . 3 ASP HA . 53328 1
9 . 1 . 1 3 3 ASP HB2 H 1 2.501 0.018 . 1 . . . . . 3 ASP HB2 . 53328 1
10 . 1 . 1 3 3 ASP HB3 H 1 2.578 0.008 . 1 . . . . . 3 ASP HB3 . 53328 1
11 . 1 . 1 4 4 TYR H H 1 7.901 0.016 . 1 . . . . . 4 TYR H . 53328 1
12 . 1 . 1 4 4 TYR HA H 1 4.252 0.01 . 1 . . . . . 4 TYR HA . 53328 1
13 . 1 . 1 4 4 TYR HB2 H 1 2.717 0.016 . 1 . . . . . 4 TYR HB2 . 53328 1
14 . 1 . 1 4 4 TYR HB3 H 1 2.762 0.012 . 1 . . . . . 4 TYR HB3 . 53328 1
15 . 1 . 1 4 4 TYR HD1 H 1 6.623 0.01 . 1 . . . . . 4 TYR QD . 53328 1
16 . 1 . 1 4 4 TYR HD2 H 1 6.623 0.01 . 1 . . . . . 4 TYR QD . 53328 1
17 . 1 . 1 4 4 TYR HE1 H 1 6.799 0.011 . 1 . . . . . 4 TYR QE . 53328 1
18 . 1 . 1 4 4 TYR HE2 H 1 6.799 0.011 . 1 . . . . . 4 TYR QE . 53328 1
19 . 1 . 1 5 5 TRP H H 1 7.627 0.021 . 1 . . . . . 5 TRP H . 53328 1
20 . 1 . 1 5 5 TRP HA H 1 4.471 0.009 . 1 . . . . . 5 TRP HA . 53328 1
21 . 1 . 1 5 5 TRP HB2 H 1 3.062 0.01 . 1 . . . . . 5 TRP HB2 . 53328 1
22 . 1 . 1 5 5 TRP HB3 H 1 3.114 0.01 . 1 . . . . . 5 TRP HB3 . 53328 1
23 . 1 . 1 5 5 TRP HD1 H 1 7.068 0.004 . 1 . . . . . 5 TRP HD1 . 53328 1
24 . 1 . 1 5 5 TRP HE3 H 1 7.393 0.01 . 1 . . . . . 5 TRP HE3 . 53328 1
25 . 1 . 1 5 5 TRP HZ2 H 1 7.35 0 . 1 . . . . . 5 TRP HZ2 . 53328 1
26 . 1 . 1 5 5 TRP HZ3 H 1 7.018 0 . 1 . . . . . 5 TRP HZ3 . 53328 1
27 . 1 . 1 5 5 TRP HH2 H 1 7.095 0 . 1 . . . . . 5 TRP HH2 . 53328 1
28 . 1 . 1 6 6 ASP H H 1 7.859 0.005 . 1 . . . . . 6 ASP H . 53328 1
29 . 1 . 1 6 6 ASP HA H 1 4.442 0.013 . 1 . . . . . 6 ASP HA . 53328 1
30 . 1 . 1 6 6 ASP HB2 H 1 2.337 0.016 . 1 . . . . . 6 ASP HB2 . 53328 1
31 . 1 . 1 6 6 ASP HB3 H 1 2.484 0.014 . 1 . . . . . 6 ASP HB3 . 53328 1
32 . 1 . 1 7 7 THR H H 1 7.849 0.007 . 1 . . . . . 7 THR H . 53328 1
33 . 1 . 1 7 7 THR HA H 1 4.121 0.001 . 1 . . . . . 7 THR HA . 53328 1
34 . 1 . 1 7 7 THR HB H 1 4.134 0.007 . 1 . . . . . 7 THR HB . 53328 1
35 . 1 . 1 7 7 THR HG21 H 1 1.027 0.011 . 1 . . . . . 7 THR QG2 . 53328 1
36 . 1 . 1 7 7 THR HG22 H 1 1.027 0.011 . 1 . . . . . 7 THR QG2 . 53328 1
37 . 1 . 1 7 7 THR HG23 H 1 1.027 0.011 . 1 . . . . . 7 THR QG2 . 53328 1
38 . 1 . 1 8 8 ASN H H 1 8.322 0.011 . 1 . . . . . 8 ASN H . 53328 1
39 . 1 . 1 8 8 ASN HA H 1 4.593 0.001 . 1 . . . . . 8 ASN HA . 53328 1
40 . 1 . 1 8 8 ASN HB2 H 1 2.617 0.005 . 1 . . . . . 8 ASN HB2 . 53328 1
41 . 1 . 1 8 8 ASN HB3 H 1 2.7 0 . 1 . . . . . 8 ASN HB3 . 53328 1
42 . 1 . 1 8 8 ASN HD21 H 1 6.774 0 . 1 . . . . . 8 ASN HD21 . 53328 1
43 . 1 . 1 8 8 ASN HD22 H 1 7.511 0 . 1 . . . . . 8 ASN HD22 . 53328 1
44 . 1 . 1 9 9 ASP H H 1 8.17 0.013 . 1 . . . . . 9 ASP H . 53328 1
45 . 1 . 1 9 9 ASP HA H 1 4.483 0.014 . 1 . . . . . 9 ASP HA . 53328 1
46 . 1 . 1 9 9 ASP HB2 H 1 2.602 0.021 . 1 . . . . . 9 ASP HB2 . 53328 1
47 . 1 . 1 9 9 ASP HB3 H 1 7.852 0.009 . 1 . . . . . 9 ASP HB3 . 53328 1
48 . 1 . 1 10 10 GLY H H 1 3.6 0.011 . 1 . . . . . 10 GLY H . 53328 1
49 . 1 . 1 10 10 GLY HA2 H 1 3.649 0.011 . 1 . . . . . 10 GLY QA . 53328 1
50 . 1 . 1 10 10 GLY HA3 H 1 3.649 0.011 . 1 . . . . . 10 GLY QA . 53328 1
51 . 1 . 1 11 11 SER H H 1 8.17 0.006 . 1 . . . . . 11 SER H . 53328 1
52 . 1 . 1 11 11 SER HA H 1 4.336 0.003 . 1 . . . . . 11 SER HA . 53328 1
53 . 1 . 1 11 11 SER HB2 H 1 3.739 0.003 . 1 . . . . . 11 SER HB2 . 53328 1
54 . 1 . 1 11 11 SER HB3 H 1 8.396 0.019 . 1 . . . . . 11 SER HB3 . 53328 1
55 . 1 . 1 12 12 GLY H H 1 3.771 0 . 1 . . . . . 12 GLY H . 53328 1
56 . 1 . 1 12 12 GLY HA2 H 1 3.886 0.01 . 1 . . . . . 12 GLY QA . 53328 1
57 . 1 . 1 12 12 GLY HA3 H 1 3.886 0.01 . 1 . . . . . 12 GLY QA . 53328 1
58 . 1 . 1 13 13 SER H H 1 8.179 0.008 . 1 . . . . . 13 SER H . 53328 1
59 . 1 . 1 13 13 SER HA H 1 4.29 0.002 . 1 . . . . . 13 SER HA . 53328 1
60 . 1 . 1 13 13 SER HB2 H 1 3.762 0.006 . 1 . . . . . 13 SER HB2 . 53328 1
61 . 1 . 1 13 13 SER HB3 H 1 3.806 0.017 . 1 . . . . . 13 SER HB3 . 53328 1
62 . 1 . 1 14 14 GLY H H 1 8.277 0.008 . 1 . . . . . 14 GLY H . 53328 1
63 . 1 . 1 14 14 GLY HA2 H 1 3.877 0.003 . 1 . . . . . 14 GLY QA . 53328 1
64 . 1 . 1 14 14 GLY HA3 H 1 3.877 0.003 . 1 . . . . . 14 GLY QA . 53328 1
65 . 1 . 1 15 15 SER H H 1 8.107 0.009 . 1 . . . . . 15 SER H . 53328 1
66 . 1 . 1 15 15 SER HA H 1 4.342 0.007 . 1 . . . . . 15 SER HA . 53328 1
67 . 1 . 1 15 15 SER HB2 H 1 3.709 0.007 . 1 . . . . . 15 SER HB2 . 53328 1
68 . 1 . 1 15 15 SER HB3 H 1 3.758 0.016 . 1 . . . . . 15 SER HB3 . 53328 1
69 . 1 . 1 16 16 ASP H H 1 8.227 0.014 . 1 . . . . . 16 ASP H . 53328 1
70 . 1 . 1 16 16 ASP HA H 1 4.33 0.004 . 1 . . . . . 16 ASP HA . 53328 1
71 . 1 . 1 16 16 ASP HB2 H 1 2.281 0.016 . 1 . . . . . 16 ASP QB . 53328 1
72 . 1 . 1 16 16 ASP HB3 H 1 2.281 0.016 . 1 . . . . . 16 ASP QB . 53328 1
73 . 1 . 1 17 17 ASP H H 1 8.095 0.012 . 1 . . . . . 17 ASP H . 53328 1
74 . 1 . 1 17 17 ASP HA H 1 4.506 0.009 . 1 . . . . . 17 ASP HA . 53328 1
75 . 1 . 1 17 17 ASP HB2 H 1 2.467 0.018 . 1 . . . . . 17 ASP HB2 . 53328 1
76 . 1 . 1 17 17 ASP HB3 H 1 2.582 0.016 . 1 . . . . . 17 ASP HB3 . 53328 1
77 . 1 . 1 18 18 VAL H H 1 7.917 0.019 . 1 . . . . . 18 VAL H . 53328 1
78 . 1 . 1 18 18 VAL HA H 1 3.959 0.009 . 1 . . . . . 18 VAL HA . 53328 1
79 . 1 . 1 18 18 VAL HB H 1 1.983 0.022 . 1 . . . . . 18 VAL HB . 53328 1
80 . 1 . 1 18 18 VAL HG21 H 1 0.799 0.015 . 1 . . . . . 18 VAL QG2 . 53328 1
81 . 1 . 1 18 18 VAL HG22 H 1 0.799 0.015 . 1 . . . . . 18 VAL QG2 . 53328 1
82 . 1 . 1 18 18 VAL HG23 H 1 0.799 0.015 . 1 . . . . . 18 VAL QG2 . 53328 1
83 . 1 . 1 19 19 ARG H H 1 8.267 0.014 . 1 . . . . . 19 ARG H . 53328 1
84 . 1 . 1 19 19 ARG HA H 1 4.243 0.007 . 1 . . . . . 19 ARG HA . 53328 1
85 . 1 . 1 19 19 ARG HB2 H 1 1.63 0.012 . 1 . . . . . 19 ARG HB2 . 53328 1
86 . 1 . 1 19 19 ARG HB3 H 1 1.744 0.013 . 1 . . . . . 19 ARG HB3 . 53328 1
87 . 1 . 1 19 19 ARG HG2 H 1 1.493 0.017 . 1 . . . . . 19 ARG QG . 53328 1
88 . 1 . 1 19 19 ARG HG3 H 1 1.493 0.017 . 1 . . . . . 19 ARG QG . 53328 1
89 . 1 . 1 19 19 ARG HD2 H 1 3.032 0.011 . 1 . . . . . 19 ARG QD . 53328 1
90 . 1 . 1 19 19 ARG HD3 H 1 3.032 0.011 . 1 . . . . . 19 ARG QD . 53328 1
91 . 1 . 1 19 19 ARG HE H 1 7.142 0.007 . 1 . . . . . 19 ARG HE . 53328 1
92 . 1 . 1 20 20 GLY H H 1 8.281 0.01 . 1 . . . . . 20 GLY H . 53328 1
93 . 1 . 1 20 20 GLY HA2 H 1 3.83 0.003 . 1 . . . . . 20 GLY QA . 53328 1
94 . 1 . 1 20 20 GLY HA3 H 1 3.83 0.003 . 1 . . . . . 20 GLY QA . 53328 1
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