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 31024
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 '1H chemical shifts were referenced to acetonitrile-d3 at 1.96ppm'
_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-1H TOCSY' . . . 31024 1
2 '2D 1H-1H NOESY' . . . 31024 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 PHE HA H 1 4.122 0.000 . . . 3 . . A 1 PHE HA . 31024 1
2 . 1 . 1 1 1 PHE HB2 H 1 3.037 0.003 . . . 2 . . A 1 PHE HB2 . 31024 1
3 . 1 . 1 1 1 PHE HB3 H 1 3.132 0.007 . . . 2 . . A 1 PHE HB3 . 31024 1
4 . 1 . 1 2 2 ALA H H 1 8.240 0.001 . . . 3 . . A 2 ALA H . 31024 1
5 . 1 . 1 2 2 ALA HA H 1 4.250 0.002 . . . 2 . . A 2 ALA HA . 31024 1
6 . 1 . 1 2 2 ALA HB1 H 1 1.253 0.005 . . . 2 . . A 2 ALA HB1 . 31024 1
7 . 1 . 1 2 2 ALA HB2 H 1 1.253 0.005 . . . 2 . . A 2 ALA HB2 . 31024 1
8 . 1 . 1 2 2 ALA HB3 H 1 1.253 0.005 . . . 2 . . A 2 ALA HB3 . 31024 1
9 . 1 . 1 3 3 ALA H H 1 8.040 0.000 . . . 2 . . A 3 ALA H . 31024 1
10 . 1 . 1 3 3 ALA HA H 1 4.119 0.004 . . . 3 . . A 3 ALA HA . 31024 1
11 . 1 . 1 3 3 ALA HB1 H 1 1.288 0.005 . . . 2 . . A 3 ALA HB1 . 31024 1
12 . 1 . 1 3 3 ALA HB2 H 1 1.288 0.005 . . . 2 . . A 3 ALA HB2 . 31024 1
13 . 1 . 1 3 3 ALA HB3 H 1 1.288 0.005 . . . 2 . . A 3 ALA HB3 . 31024 1
14 . 1 . 1 4 4 ASP H H 1 7.954 0.004 . . . 4 . . A 4 ASP H . 31024 1
15 . 1 . 1 4 4 ASP HA H 1 4.510 0.002 . . . 3 . . A 4 ASP HA . 31024 1
16 . 1 . 1 4 4 ASP HB2 H 1 2.695 0.004 . . . 3 . . A 4 ASP HB2 . 31024 1
17 . 1 . 1 4 4 ASP HB3 H 1 2.695 0.004 . . . 3 . . A 4 ASP HB3 . 31024 1
18 . 1 . 1 5 5 ALA H H 1 7.829 0.003 . . . 6 . . A 5 ALA H . 31024 1
19 . 1 . 1 5 5 ALA HA H 1 4.072 0.005 . . . 3 . . A 5 ALA HA . 31024 1
20 . 1 . 1 5 5 ALA HB1 H 1 1.161 0.003 . . . 3 . . A 5 ALA HB1 . 31024 1
21 . 1 . 1 5 5 ALA HB2 H 1 1.161 0.003 . . . 3 . . A 5 ALA HB2 . 31024 1
22 . 1 . 1 5 5 ALA HB3 H 1 1.161 0.003 . . . 3 . . A 5 ALA HB3 . 31024 1
23 . 1 . 1 6 6 TRP H H 1 7.598 0.002 . . . 7 . . A 6 TRP H . 31024 1
24 . 1 . 1 6 6 TRP HA H 1 4.430 0.003 . . . 4 . . A 6 TRP HA . 31024 1
25 . 1 . 1 6 6 TRP HB2 H 1 3.136 0.003 . . . 6 . . A 6 TRP HB2 . 31024 1
26 . 1 . 1 6 6 TRP HB3 H 1 3.229 0.002 . . . 5 . . A 6 TRP HB3 . 31024 1
27 . 1 . 1 6 6 TRP HD1 H 1 7.162 0.001 . . . 5 . . A 6 TRP HD1 . 31024 1
28 . 1 . 1 6 6 TRP HE1 H 1 9.927 0.001 . . . 2 . . A 6 TRP HE1 . 31024 1
29 . 1 . 1 6 6 TRP HE3 H 1 7.489 0.001 . . . 3 . . A 6 TRP HE3 . 31024 1
30 . 1 . 1 6 6 TRP HZ2 H 1 7.358 0.000 . . . 4 . . A 6 TRP HZ2 . 31024 1
31 . 1 . 1 6 6 TRP HZ3 H 1 7.023 0.000 . . . 2 . . A 6 TRP HZ3 . 31024 1
32 . 1 . 1 6 6 TRP HH2 H 1 7.096 0.001 . . . 2 . . A 6 TRP HH2 . 31024 1
33 . 1 . 1 7 7 ALA H H 1 7.483 0.003 . . . 7 . . A 7 ALA H . 31024 1
34 . 1 . 1 7 7 ALA HA H 1 4.084 0.013 . . . 3 . . A 7 ALA HA . 31024 1
35 . 1 . 1 7 7 ALA HB1 H 1 1.159 0.003 . . . 3 . . A 7 ALA HB1 . 31024 1
36 . 1 . 1 7 7 ALA HB2 H 1 1.159 0.003 . . . 3 . . A 7 ALA HB2 . 31024 1
37 . 1 . 1 7 7 ALA HB3 H 1 1.159 0.003 . . . 3 . . A 7 ALA HB3 . 31024 1
38 . 1 . 1 8 8 ALA H H 1 7.719 0.002 . . . 6 . . A 8 ALA H . 31024 1
39 . 1 . 1 8 8 ALA HA H 1 4.080 0.003 . . . 3 . . A 8 ALA HA . 31024 1
40 . 1 . 1 8 8 ALA HB1 H 1 1.285 0.003 . . . 3 . . A 8 ALA HB1 . 31024 1
41 . 1 . 1 8 8 ALA HB2 H 1 1.285 0.003 . . . 3 . . A 8 ALA HB2 . 31024 1
42 . 1 . 1 8 8 ALA HB3 H 1 1.285 0.003 . . . 3 . . A 8 ALA HB3 . 31024 1
43 . 1 . 1 9 9 GLN H H 1 7.895 0.007 . . . 8 . . A 9 GLN H . 31024 1
44 . 1 . 1 9 9 GLN HA H 1 4.134 0.004 . . . 6 . . A 9 GLN HA . 31024 1
45 . 1 . 1 9 9 GLN HB2 H 1 1.910 0.000 . . . 2 . . A 9 GLN HB2 . 31024 1
46 . 1 . 1 9 9 GLN HB3 H 1 2.009 0.004 . . . 3 . . A 9 GLN HB3 . 31024 1
47 . 1 . 1 9 9 GLN HG2 H 1 2.252 0.003 . . . 3 . . A 9 GLN HG2 . 31024 1
48 . 1 . 1 9 9 GLN HG3 H 1 2.252 0.003 . . . 3 . . A 9 GLN HG3 . 31024 1
49 . 1 . 1 9 9 GLN HE21 H 1 7.230 0.000 . . . 1 . . A 9 GLN HE21 . 31024 1
50 . 1 . 1 9 9 GLN HE22 H 1 6.516 0.000 . . . 1 . . A 9 GLN HE22 . 31024 1
51 . 1 . 1 10 10 ASP H H 1 8.015 0.001 . . . 7 . . A 10 ASP H . 31024 1
52 . 1 . 1 10 10 ASP HA H 1 4.576 0.002 . . . 4 . . A 10 ASP HA . 31024 1
53 . 1 . 1 10 10 ASP HB2 H 1 2.733 0.003 . . . 3 . . A 10 ASP HB2 . 31024 1
54 . 1 . 1 10 10 ASP HB3 H 1 2.835 0.005 . . . 3 . . A 10 ASP HB3 . 31024 1
55 . 1 . 1 11 11 MET H H 1 7.840 0.002 . . . 9 . . A 11 MET H . 31024 1
56 . 1 . 1 11 11 MET HA H 1 4.321 0.002 . . . 5 . . A 11 MET HA . 31024 1
57 . 1 . 1 11 11 MET HB2 H 1 1.907 0.002 . . . 4 . . A 11 MET HB2 . 31024 1
58 . 1 . 1 11 11 MET HB3 H 1 2.016 0.004 . . . 3 . . A 11 MET HB3 . 31024 1
59 . 1 . 1 11 11 MET HG2 H 1 2.424 0.002 . . . 3 . . A 11 MET HG2 . 31024 1
60 . 1 . 1 11 11 MET HG3 H 1 2.505 0.006 . . . 3 . . A 11 MET HG3 . 31024 1
61 . 1 . 1 11 11 MET HE1 H 1 1.99 0.000 . . . 1 . . A 11 MET HE1 . 31024 1
62 . 1 . 1 11 11 MET HE2 H 1 1.99 0.000 . . . 1 . . A 11 MET HE2 . 31024 1
63 . 1 . 1 11 11 MET HE3 H 1 1.99 0.000 . . . 1 . . A 11 MET HE3 . 31024 1
64 . 1 . 1 12 12 ALA H H 1 7.821 0.002 . . . 4 . . A 12 ALA H . 31024 1
65 . 1 . 1 12 12 ALA HA H 1 4.218 0.001 . . . 3 . . A 12 ALA HA . 31024 1
66 . 1 . 1 12 12 ALA HB1 H 1 1.284 0.003 . . . 3 . . A 12 ALA HB1 . 31024 1
67 . 1 . 1 12 12 ALA HB2 H 1 1.284 0.003 . . . 3 . . A 12 ALA HB2 . 31024 1
68 . 1 . 1 12 12 ALA HB3 H 1 1.284 0.003 . . . 3 . . A 12 ALA HB3 . 31024 1
69 . 1 . 1 13 13 DAL H H 1 7.972 0.003 . . . 5 . . A 13 DAL H . 31024 1
70 . 1 . 1 13 13 DAL HA H 1 4.393 0.001 . . . 4 . . A 13 DAL HA . 31024 1
71 . 1 . 1 13 13 DAL HB1 H 1 2.778 0.003 . . . 5 . . A 13 DAL HB1 . 31024 1
72 . 1 . 1 13 13 DAL HB2 H 1 2.778 0.003 . . . 5 . . A 13 DAL HB2 . 31024 1
73 . 1 . 1 14 14 GLY H H 1 8.577 0.002 . . . 7 . . A 14 GLY H . 31024 1
74 . 1 . 1 14 14 GLY HA2 H 1 3.741 0.004 . . . 3 . . A 14 GLY HA2 . 31024 1
75 . 1 . 1 14 14 GLY HA3 H 1 3.931 0.001 . . . 3 . . A 14 GLY HA3 . 31024 1
76 . 1 . 1 15 15 ASN H H 1 7.646 0.002 . . . 7 . . A 15 ASN H . 31024 1
77 . 1 . 1 15 15 ASN HA H 1 5.053 0.002 . . . 5 . . A 15 ASN HA . 31024 1
78 . 1 . 1 15 15 ASN HB2 H 1 2.569 0.005 . . . 6 . . A 15 ASN HB2 . 31024 1
79 . 1 . 1 15 15 ASN HB3 H 1 2.893 0.004 . . . 8 . . A 15 ASN HB3 . 31024 1
80 . 1 . 1 15 15 ASN HD21 H 1 7.394 0.002 . . . 5 . . A 15 ASN HD21 . 31024 1
81 . 1 . 1 15 15 ASN HD22 H 1 6.613 0.003 . . . 6 . . A 15 ASN HD22 . 31024 1
82 . 1 . 1 16 16 PRO HA H 1 4.425 0.002 . . . 4 . . A 16 PRO HA . 31024 1
83 . 1 . 1 16 16 PRO HB2 H 1 2.236 0.001 . . . 2 . . A 16 PRO HB2 . 31024 1
84 . 1 . 1 16 16 PRO HB3 H 1 2.236 0.001 . . . 2 . . A 16 PRO HB3 . 31024 1
85 . 1 . 1 16 16 PRO HG2 H 1 1.929 0.019 . . . 4 . . A 16 PRO HG2 . 31024 1
86 . 1 . 1 16 16 PRO HG3 H 1 1.972 0.004 . . . 2 . . A 16 PRO HG3 . 31024 1
87 . 1 . 1 16 16 PRO HD2 H 1 3.774 0.002 . . . 8 . . A 16 PRO HD2 . 31024 1
88 . 1 . 1 16 16 PRO HD3 H 1 3.774 0.002 . . . 8 . . A 16 PRO HD3 . 31024 1
89 . 1 . 1 17 17 LEU H H 1 8.113 0.002 . . . 12 . . A 17 LEU H . 31024 1
90 . 1 . 1 17 17 LEU HA H 1 4.339 0.002 . . . 8 . . A 17 LEU HA . 31024 1
91 . 1 . 1 17 17 LEU HB2 H 1 1.600 0.004 . . . 3 . . A 17 LEU HB2 . 31024 1
92 . 1 . 1 17 17 LEU HB3 H 1 1.802 0.004 . . . 3 . . A 17 LEU HB3 . 31024 1
93 . 1 . 1 17 17 LEU HG H 1 1.650 0.068 . . . 3 . . A 17 LEU HG . 31024 1
94 . 1 . 1 17 17 LEU HD11 H 1 0.895 0.001 . . . 2 . . A 17 LEU HD11 . 31024 1
95 . 1 . 1 17 17 LEU HD12 H 1 0.895 0.001 . . . 2 . . A 17 LEU HD12 . 31024 1
96 . 1 . 1 17 17 LEU HD13 H 1 0.895 0.001 . . . 2 . . A 17 LEU HD13 . 31024 1
97 . 1 . 1 17 17 LEU HD21 H 1 0.834 0.000 . . . 2 . . A 17 LEU HD21 . 31024 1
98 . 1 . 1 17 17 LEU HD22 H 1 0.834 0.000 . . . 2 . . A 17 LEU HD22 . 31024 1
99 . 1 . 1 17 17 LEU HD23 H 1 0.834 0.000 . . . 2 . . A 17 LEU HD23 . 31024 1
100 . 1 . 1 18 18 DBU H H 1 8.617 0.004 . . . 7 . . A 18 DBU H . 31024 1
101 . 1 . 1 18 18 DBU HB H 1 6.847 0.002 . . . 3 . . A 18 DBU HB . 31024 1
102 . 1 . 1 18 18 DBU HG1 H 1 1.654 0.001 . . . 5 . . A 18 DBU HG1 . 31024 1
103 . 1 . 1 18 18 DBU HG2 H 1 1.654 0.001 . . . 5 . . A 18 DBU HG2 . 31024 1
104 . 1 . 1 18 18 DBU HG3 H 1 1.654 0.001 . . . 5 . . A 18 DBU HG3 . 31024 1
105 . 1 . 1 19 19 DBU H H 1 8.725 0.000 . . . 1 . . A 19 DBU H . 31024 1
106 . 1 . 1 19 19 DBU HB H 1 6.409 0.000 . . . 1 . . A 19 DBU HB . 31024 1
107 . 1 . 1 19 19 DBU HG1 H 1 1.730 0.000 . . . 1 . . A 19 DBU HG1 . 31024 1
108 . 1 . 1 19 19 DBU HG2 H 1 1.730 0.000 . . . 1 . . A 19 DBU HG2 . 31024 1
109 . 1 . 1 19 19 DBU HG3 H 1 1.730 0.000 . . . 1 . . A 19 DBU HG3 . 31024 1
110 . 1 . 1 20 20 DBB HA H 1 4.946 0.002 . . . 3 . . A 20 DBB HA . 31024 1
111 . 1 . 1 20 20 DBB HB2 H 1 3.491 0.002 . . . 5 . . A 20 DBB HB2 . 31024 1
112 . 1 . 1 20 20 DBB HG1 H 1 1.240 0.002 . . . 3 . . A 20 DBB HG1 . 31024 1
113 . 1 . 1 20 20 DBB HG2 H 1 1.240 0.002 . . . 3 . . A 20 DBB HG2 . 31024 1
114 . 1 . 1 20 20 DBB HG3 H 1 1.240 0.002 . . . 3 . . A 20 DBB HG3 . 31024 1
115 . 1 . 1 21 21 PHE H H 1 7.897 0.002 . . . 6 . . A 21 PHE H . 31024 1
116 . 1 . 1 21 21 PHE HA H 1 4.214 0.003 . . . 7 . . A 21 PHE HA . 31024 1
117 . 1 . 1 21 21 PHE HB2 H 1 2.899 0.003 . . . 6 . . A 21 PHE HB2 . 31024 1
118 . 1 . 1 21 21 PHE HB3 H 1 3.260 0.002 . . . 6 . . A 21 PHE HB3 . 31024 1
119 . 1 . 1 21 21 PHE HD1 H 1 7.256 0.001 . . . 5 . . A 21 PHE HD1 . 31024 1
120 . 1 . 1 21 21 PHE HD2 H 1 7.256 0.001 . . . 5 . . A 21 PHE HD2 . 31024 1
121 . 1 . 1 21 21 PHE HE1 H 1 6.846 0.000 . . . 0 . . A 21 PHE HE1 . 31024 1
122 . 1 . 1 21 21 PHE HE2 H 1 6.846 0.000 . . . 0 . . A 21 PHE HE2 . 31024 1
123 . 1 . 1 22 22 CYS H H 1 8.206 0.004 . . . 8 . . A 22 CYS H . 31024 1
124 . 1 . 1 22 22 CYS HA H 1 4.633 0.002 . . . 4 . . A 22 CYS HA . 31024 1
125 . 1 . 1 22 22 CYS HB2 H 1 2.786 0.007 . . . 6 . . A 22 CYS HB2 . 31024 1
126 . 1 . 1 22 22 CYS HB3 H 1 3.176 0.004 . . . 6 . . A 22 CYS HB3 . 31024 1
127 . 1 . 1 23 23 CYS H H 1 7.580 0.001 . . . 8 . . A 23 CYS H . 31024 1
128 . 1 . 1 23 23 CYS HA H 1 4.207 0.005 . . . 6 . . A 23 CYS HA . 31024 1
129 . 1 . 1 23 23 CYS HB2 H 1 3.110 0.008 . . . 5 . . A 23 CYS HB2 . 31024 1
130 . 1 . 1 23 23 CYS HB3 H 1 3.230 0.005 . . . 5 . . A 23 CYS HB3 . 31024 1
131 . 1 . 1 24 24 DAL H H 1 8.763 0.002 . . . 8 . . A 24 DAL H . 31024 1
132 . 1 . 1 24 24 DAL HA H 1 4.822 0.001 . . . 3 . . A 24 DAL HA . 31024 1
133 . 1 . 1 24 24 DAL HB1 H 1 2.966 0.003 . . . 8 . . A 24 DAL HB1 . 31024 1
134 . 1 . 1 24 24 DAL HB2 H 1 2.966 0.003 . . . 8 . . A 24 DAL HB2 . 31024 1
135 . 1 . 1 25 25 VAL H H 1 7.775 0.001 . . . 8 . . A 25 VAL H . 31024 1
136 . 1 . 1 25 25 VAL HA H 1 3.746 0.001 . . . 3 . . A 25 VAL HA . 31024 1
137 . 1 . 1 25 25 VAL HB H 1 1.970 0.001 . . . 2 . . A 25 VAL HB . 31024 1
138 . 1 . 1 25 25 VAL HG11 H 1 0.882 0.002 . . . 3 . . A 25 VAL HG11 . 31024 1
139 . 1 . 1 25 25 VAL HG12 H 1 0.882 0.002 . . . 3 . . A 25 VAL HG12 . 31024 1
140 . 1 . 1 25 25 VAL HG13 H 1 0.882 0.002 . . . 3 . . A 25 VAL HG13 . 31024 1
141 . 1 . 1 25 25 VAL HG21 H 1 0.882 0.002 . . . 3 . . A 25 VAL HG21 . 31024 1
142 . 1 . 1 25 25 VAL HG22 H 1 0.882 0.002 . . . 3 . . A 25 VAL HG22 . 31024 1
143 . 1 . 1 25 25 VAL HG23 H 1 0.882 0.002 . . . 3 . . A 25 VAL HG23 . 31024 1
144 . 1 . 1 26 26 GLN H H 1 8.486 0.002 . . . 9 . . A 26 GLN H . 31024 1
145 . 1 . 1 26 26 GLN HA H 1 4.458 0.007 . . . 6 . . A 26 GLN HA . 31024 1
146 . 1 . 1 26 26 GLN HB2 H 1 1.794 0.002 . . . 2 . . A 26 GLN HB2 . 31024 1
147 . 1 . 1 26 26 GLN HB3 H 1 2.143 0.000 . . . 2 . . A 26 GLN HB3 . 31024 1
148 . 1 . 1 26 26 GLN HG2 H 1 2.200 0.001 . . . 2 . . A 26 GLN HG2 . 31024 1
149 . 1 . 1 26 26 GLN HG3 H 1 2.200 0.001 . . . 2 . . A 26 GLN HG3 . 31024 1
150 . 1 . 1 26 26 GLN HE21 H 1 7.049 0.000 . . . 1 . . A 26 GLN HE21 . 31024 1
151 . 1 . 1 26 26 GLN HE22 H 1 6.447 0.000 . . . 1 . . A 26 GLN HE22 . 31024 1
152 . 1 . 1 27 27 CYS H H 1 7.329 0.003 . . . 6 . . A 27 CYS H . 31024 1
153 . 1 . 1 27 27 CYS HA H 1 4.029 0.002 . . . 5 . . A 27 CYS HA . 31024 1
154 . 1 . 1 27 27 CYS HB2 H 1 2.766 0.002 . . . 5 . . A 27 CYS HB2 . 31024 1
155 . 1 . 1 27 27 CYS HB3 H 1 3.450 0.001 . . . 5 . . A 27 CYS HB3 . 31024 1
156 . 1 . 1 28 28 GLY H H 1 8.139 0.002 . . . 5 . . A 28 GLY H . 31024 1
157 . 1 . 1 28 28 GLY HA2 H 1 3.848 0.000 . . . 1 . . A 28 GLY HA2 . 31024 1
158 . 1 . 1 28 28 GLY HA3 H 1 3.848 0.000 . . . 1 . . A 28 GLY HA3 . 31024 1
stop_
save_