Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 28017
_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 $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.0005
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_Assigned_chem_shift_list.Chem_shift_15N_err 0.15
_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 '1H: variation among assigned peaks. 13C and 15N: estimated based on the spectral resolution.'
_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-15N HSQC' . . . 28017 1
2 '2D 1H-1H TOCSY' . . . 28017 1
3 '2D 1H-1H NOESY' . . . 28017 1
5 '2D DQF-COSY' . . . 28017 1
7 '2D 1H-13C HSQC aliphatic' . . . 28017 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
2 $SPARKY . . 28017 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 TRP H H 1 8.34 0.005 . 1 . . . . . 1 TRP H . 28017 1
2 . 1 . 1 1 1 TRP HA H 1 4.47 0.005 . 1 . . . . . 1 TRP HA . 28017 1
3 . 1 . 1 1 1 TRP HB2 H 1 3.15 0.005 . 2 . . . . . 1 TRP HB2 . 28017 1
4 . 1 . 1 1 1 TRP HB3 H 1 3.15 0.005 . 2 . . . . . 1 TRP HB3 . 28017 1
5 . 1 . 1 1 1 TRP HD1 H 1 7.11 0.005 . 1 . . . . . 1 TRP HD1 . 28017 1
6 . 1 . 1 1 1 TRP HE1 H 1 10.02 0.005 . 1 . . . . . 1 TRP HE1 . 28017 1
7 . 1 . 1 1 1 TRP HE3 H 1 7.53 0.005 . 1 . . . . . 1 TRP HE3 . 28017 1
8 . 1 . 1 1 1 TRP HZ2 H 1 7.44 0.005 . 1 . . . . . 1 TRP HZ2 . 28017 1
9 . 1 . 1 1 1 TRP HZ3 H 1 7.10 0.005 . 1 . . . . . 1 TRP HZ3 . 28017 1
10 . 1 . 1 1 1 TRP HH2 H 1 7.22 0.005 . 1 . . . . . 1 TRP HH2 . 28017 1
11 . 1 . 1 1 1 TRP CA C 13 57.5 0.1 . 1 . . . . . 1 TRP CA . 28017 1
12 . 1 . 1 1 1 TRP CB C 13 29.4 0.1 . 1 . . . . . 1 TRP CB . 28017 1
13 . 1 . 1 1 1 TRP N N 15 127.5 0.15 . 1 . . . . . 1 TRP N . 28017 1
14 . 1 . 1 1 1 TRP NE1 N 15 128.9 0.15 . 1 . . . . . 1 TRP NE1 . 28017 1
15 . 1 . 1 2 2 LYS H H 1 7.92 0.005 . 1 . . . . . 2 LYS H . 28017 1
16 . 1 . 1 2 2 LYS HA H 1 4.09 0.005 . 1 . . . . . 2 LYS HA . 28017 1
17 . 1 . 1 2 2 LYS HB2 H 1 1.46 0.005 . 2 . . . . . 2 LYS HB2 . 28017 1
18 . 1 . 1 2 2 LYS HB3 H 1 1.38 0.005 . 2 . . . . . 2 LYS HB3 . 28017 1
19 . 1 . 1 2 2 LYS HG2 H 1 1.03 0.005 . 2 . . . . . 2 LYS HG2 . 28017 1
20 . 1 . 1 2 2 LYS HG3 H 1 1.03 0.005 . 2 . . . . . 2 LYS HG3 . 28017 1
21 . 1 . 1 2 2 LYS HD2 H 1 1.48 0.005 . 2 . . . . . 2 LYS HD2 . 28017 1
22 . 1 . 1 2 2 LYS HD3 H 1 1.48 0.005 . 2 . . . . . 2 LYS HD3 . 28017 1
23 . 1 . 1 2 2 LYS HE2 H 1 2.73 0.005 . 2 . . . . . 2 LYS HE2 . 28017 1
24 . 1 . 1 2 2 LYS HE3 H 1 2.73 0.005 . 2 . . . . . 2 LYS HE3 . 28017 1
25 . 1 . 1 2 2 LYS CA C 13 57.5 0.1 . 1 . . . . . 2 LYS CA . 28017 1
26 . 1 . 1 2 2 LYS CB C 13 33.6 0.1 . 1 . . . . . 2 LYS CB . 28017 1
27 . 1 . 1 2 2 LYS CG C 13 24.4 0.1 . 1 . . . . . 2 LYS CG . 28017 1
28 . 1 . 1 2 2 LYS CD C 13 28.9 0.1 . 1 . . . . . 2 LYS CD . 28017 1
29 . 1 . 1 2 2 LYS CE C 13 41.7 0.1 . 1 . . . . . 2 LYS CE . 28017 1
30 . 1 . 1 2 2 LYS N N 15 121.8 0.15 . 1 . . . . . 2 LYS N . 28017 1
31 . 1 . 1 3 3 TRP H H 1 7.95 0.005 . 1 . . . . . 3 TRP H . 28017 1
32 . 1 . 1 3 3 TRP HA H 1 4.25 0.005 . 1 . . . . . 3 TRP HA . 28017 1
33 . 1 . 1 3 3 TRP HB2 H 1 3.06 0.005 . 2 . . . . . 3 TRP HB2 . 28017 1
34 . 1 . 1 3 3 TRP HB3 H 1 3.06 0.005 . 2 . . . . . 3 TRP HB3 . 28017 1
35 . 1 . 1 3 3 TRP HD1 H 1 7.21 0.005 . 1 . . . . . 3 TRP HD1 . 28017 1
36 . 1 . 1 3 3 TRP HE1 H 1 10.22 0.005 . 1 . . . . . 3 TRP HE1 . 28017 1
37 . 1 . 1 3 3 TRP HE3 H 1 7.53 0.005 . 1 . . . . . 3 TRP HE3 . 28017 1
38 . 1 . 1 3 3 TRP HZ2 H 1 7.44 0.005 . 1 . . . . . 3 TRP HZ2 . 28017 1
39 . 1 . 1 3 3 TRP HZ3 H 1 7.10 0.005 . 1 . . . . . 3 TRP HZ3 . 28017 1
40 . 1 . 1 3 3 TRP HH2 H 1 7.22 0.005 . 1 . . . . . 3 TRP HH2 . 28017 1
41 . 1 . 1 3 3 TRP CA C 13 57.5 0.1 . 1 . . . . . 3 TRP CA . 28017 1
42 . 1 . 1 3 3 TRP CB C 13 29.6 0.1 . 1 . . . . . 3 TRP CB . 28017 1
43 . 1 . 1 3 3 TRP N N 15 124.0 0.15 . 1 . . . . . 3 TRP N . 28017 1
44 . 1 . 1 4 4 TRP H H 1 7.95 0.005 . 1 . . . . . 4 TRP H . 28017 1
45 . 1 . 1 4 4 TRP HA H 1 4.62 0.005 . 1 . . . . . 4 TRP HA . 28017 1
46 . 1 . 1 4 4 TRP HB2 H 1 3.13 0.005 . 2 . . . . . 4 TRP HB2 . 28017 1
47 . 1 . 1 4 4 TRP HB3 H 1 2.96 0.005 . 1 . . . . . 4 TRP HB3 . 28017 1
48 . 1 . 1 4 4 TRP HD1 H 1 7.07 0.005 . 1 . . . . . 4 TRP HD1 . 28017 1
49 . 1 . 1 4 4 TRP HE1 H 1 10.17 0.005 . 1 . . . . . 4 TRP HE1 . 28017 1
50 . 1 . 1 4 4 TRP HE3 H 1 7.46 0.005 . 1 . . . . . 4 TRP HE3 . 28017 1
51 . 1 . 1 4 4 TRP HZ2 H 1 7.40 0.005 . 1 . . . . . 4 TRP HZ2 . 28017 1
52 . 1 . 1 4 4 TRP HZ3 H 1 7.05 0.005 . 1 . . . . . 4 TRP HZ3 . 28017 1
53 . 1 . 1 4 4 TRP HH2 H 1 7.16 0.005 . 1 . . . . . 4 TRP HH2 . 28017 1
54 . 1 . 1 4 4 TRP CA C 13 54.5 0.1 . 1 . . . . . 4 TRP CA . 28017 1
55 . 1 . 1 4 4 TRP CB C 13 28.9 0.1 . 1 . . . . . 4 TRP CB . 28017 1
56 . 1 . 1 4 4 TRP N N 15 125.0 0.15 . 1 . . . . . 4 TRP N . 28017 1
57 . 1 . 1 4 4 TRP NE1 N 15 129.4 0.15 . 1 . . . . . 4 TRP NE1 . 28017 1
58 . 1 . 1 5 5 PRO HA H 1 4.07 0.005 . 1 . . . . . 5 PRO HA . 28017 1
59 . 1 . 1 5 5 PRO HB2 H 1 2.23 0.005 . 2 . . . . . 5 PRO HB2 . 28017 1
60 . 1 . 1 5 5 PRO HB3 H 1 1.86 0.005 . 2 . . . . . 5 PRO HB3 . 28017 1
61 . 1 . 1 5 5 PRO HG2 H 1 1.95 0.005 . 2 . . . . . 5 PRO HG2 . 28017 1
62 . 1 . 1 5 5 PRO HG3 H 1 1.95 0.005 . 2 . . . . . 5 PRO HG3 . 28017 1
63 . 1 . 1 5 5 PRO HD2 H 1 3.45 0.005 . 2 . . . . . 5 PRO HD2 . 28017 1
64 . 1 . 1 5 5 PRO HD3 H 1 3.45 0.005 . 2 . . . . . 5 PRO HD3 . 28017 1
65 . 1 . 1 5 5 PRO CA C 13 63.5 0.1 . 1 . . . . . 5 PRO CA . 28017 1
66 . 1 . 1 5 5 PRO CB C 13 31.9 0.1 . 1 . . . . . 5 PRO CB . 28017 1
67 . 1 . 1 5 5 PRO CG C 13 27.2 0.1 . 1 . . . . . 5 PRO CG . 28017 1
68 . 1 . 1 5 5 PRO CD C 13 50.5 0.1 . 1 . . . . . 5 PRO CD . 28017 1
69 . 1 . 1 6 6 GLY H H 1 7.68 0.005 . 1 . . . . . 6 GLY H . 28017 1
70 . 1 . 1 6 6 GLY HA2 H 1 3.75 0.005 . 2 . . . . . 6 GLY HA2 . 28017 1
71 . 1 . 1 6 6 GLY HA3 H 1 3.67 0.005 . 2 . . . . . 6 GLY HA3 . 28017 1
72 . 1 . 1 6 6 GLY CA C 13 44.9 0.1 . 1 . . . . . 6 GLY CA . 28017 1
73 . 1 . 1 6 6 GLY N N 15 108.0 0.15 . 1 . . . . . 6 GLY N . 28017 1
74 . 1 . 1 7 7 ILE H H 1 7.71 0.005 . 1 . . . . . 7 ILE H . 28017 1
75 . 1 . 1 7 7 ILE HA H 1 3.93 0.005 . 1 . . . . . 7 ILE HA . 28017 1
76 . 1 . 1 7 7 ILE HB H 1 1.41 0.005 . 1 . . . . . 7 ILE HB . 28017 1
77 . 1 . 1 7 7 ILE HG12 H 1 1.15 0.005 . 2 . . . . . 7 ILE HG12 . 28017 1
78 . 1 . 1 7 7 ILE HG13 H 1 0.93 0.005 . 2 . . . . . 7 ILE HG13 . 28017 1
79 . 1 . 1 7 7 ILE HG21 H 1 0.61 0.005 . 1 . . . . . 7 ILE MG . 28017 1
80 . 1 . 1 7 7 ILE HG22 H 1 0.61 0.005 . 1 . . . . . 7 ILE MG . 28017 1
81 . 1 . 1 7 7 ILE HG23 H 1 0.61 0.005 . 1 . . . . . 7 ILE MG . 28017 1
82 . 1 . 1 7 7 ILE HD11 H 1 0.62 0.005 . 1 . . . . . 7 ILE MD . 28017 1
83 . 1 . 1 7 7 ILE HD12 H 1 0.62 0.005 . 1 . . . . . 7 ILE MD . 28017 1
84 . 1 . 1 7 7 ILE HD13 H 1 0.62 0.005 . 1 . . . . . 7 ILE MD . 28017 1
85 . 1 . 1 7 7 ILE CA C 13 61.4 0.1 . 1 . . . . . 7 ILE CA . 28017 1
86 . 1 . 1 7 7 ILE CB C 13 38.3 0.1 . 1 . . . . . 7 ILE CB . 28017 1
87 . 1 . 1 7 7 ILE CG1 C 13 27.3 0.1 . 1 . . . . . 7 ILE CG1 . 28017 1
88 . 1 . 1 7 7 ILE CG2 C 13 16.9 0.1 . 1 . . . . . 7 ILE CG2 . 28017 1
89 . 1 . 1 7 7 ILE CD1 C 13 13.1 0.1 . 1 . . . . . 7 ILE CD1 . 28017 1
90 . 1 . 1 7 7 ILE N N 15 120.0 0.15 . 1 . . . . . 7 ILE N . 28017 1
91 . 1 . 1 8 8 PHE H H 1 8.53 0.005 . 1 . . . . . 8 PHE H . 28017 1
92 . 1 . 1 8 8 PHE HA H 1 4.64 0.005 . 1 . . . . . 8 PHE HA . 28017 1
93 . 1 . 1 8 8 PHE HB2 H 1 3.16 0.005 . 2 . . . . . 8 PHE HB2 . 28017 1
94 . 1 . 1 8 8 PHE HB3 H 1 2.99 0.005 . 2 . . . . . 8 PHE HB3 . 28017 1
95 . 1 . 1 8 8 PHE HD1 H 1 7.22 0.005 . 3 . . . . . 8 PHE HD1 . 28017 1
96 . 1 . 1 8 8 PHE HD2 H 1 7.22 0.005 . 3 . . . . . 8 PHE HD2 . 28017 1
97 . 1 . 1 8 8 PHE HE1 H 1 7.33 0.005 . 3 . . . . . 8 PHE HE1 . 28017 1
98 . 1 . 1 8 8 PHE HE2 H 1 7.33 0.005 . 3 . . . . . 8 PHE HE2 . 28017 1
99 . 1 . 1 8 8 PHE HZ H 1 7.29 0.005 . 1 . . . . . 8 PHE HZ . 28017 1
100 . 1 . 1 8 8 PHE CA C 13 57.9 0.1 . 1 . . . . . 8 PHE CA . 28017 1
101 . 1 . 1 8 8 PHE CB C 13 39.1 0.1 . 1 . . . . . 8 PHE CB . 28017 1
102 . 1 . 1 8 8 PHE N N 15 124.1 0.15 . 1 . . . . . 8 PHE N . 28017 1
103 . 1 . 1 9 9 GLY H H 1 8.32 0.005 . 1 . . . . . 9 GLY H . 28017 1
104 . 1 . 1 9 9 GLY HA2 H 1 3.91 0.005 . 2 . . . . . 9 GLY HA2 . 28017 1
105 . 1 . 1 9 9 GLY HA3 H 1 3.78 0.005 . 2 . . . . . 9 GLY HA3 . 28017 1
106 . 1 . 1 9 9 GLY CA C 13 45.1 0.1 . 1 . . . . . 9 GLY CA . 28017 1
107 . 1 . 1 9 9 GLY N N 15 111.3 0.15 . 1 . . . . . 9 GLY N . 28017 1
108 . 1 . 1 10 10 GLY H H 1 8.10 0.005 . 1 . . . . . 10 GLY H . 28017 1
109 . 1 . 1 10 10 GLY HA2 H 1 3.90 0.005 . 2 . . . . . 10 GLY HA2 . 28017 1
110 . 1 . 1 10 10 GLY HA3 H 1 3.90 0.005 . 2 . . . . . 10 GLY HA3 . 28017 1
111 . 1 . 1 10 10 GLY CA C 13 44.9 0.1 . 1 . . . . . 10 GLY CA . 28017 1
112 . 1 . 1 10 10 GLY N N 15 108.1 0.15 . 1 . . . . . 10 GLY N . 28017 1
113 . 1 . 1 11 11 GLY H H 1 8.10 0.005 . 1 . . . . . 11 GLY H . 28017 1
114 . 1 . 1 11 11 GLY HA2 H 1 3.91 0.005 . 2 . . . . . 11 GLY HA2 . 28017 1
115 . 1 . 1 11 11 GLY HA3 H 1 3.91 0.005 . 2 . . . . . 11 GLY HA3 . 28017 1
116 . 1 . 1 11 11 GLY CA C 13 45.0 0.1 . 1 . . . . . 11 GLY CA . 28017 1
117 . 1 . 1 11 11 GLY N N 15 108.7 0.15 . 1 . . . . . 11 GLY N . 28017 1
118 . 1 . 1 12 12 ALA H H 1 8.35 0.005 . 1 . . . . . 12 ALA H . 28017 1
119 . 1 . 1 12 12 ALA HA H 1 4.30 0.005 . 1 . . . . . 12 ALA HA . 28017 1
120 . 1 . 1 12 12 ALA HB1 H 1 1.37 0.005 . 1 . . . . . 12 ALA MB . 28017 1
121 . 1 . 1 12 12 ALA HB2 H 1 1.37 0.005 . 1 . . . . . 12 ALA MB . 28017 1
122 . 1 . 1 12 12 ALA HB3 H 1 1.37 0.005 . 1 . . . . . 12 ALA MB . 28017 1
123 . 1 . 1 12 12 ALA CA C 13 52.6 0.1 . 1 . . . . . 12 ALA CA . 28017 1
124 . 1 . 1 12 12 ALA CB C 13 19.1 0.1 . 1 . . . . . 12 ALA CB . 28017 1
125 . 1 . 1 12 12 ALA N N 15 123.5 0.15 . 1 . . . . . 12 ALA N . 28017 1
126 . 1 . 1 13 13 SER H H 1 8.53 0.005 . 1 . . . . . 13 SER H . 28017 1
127 . 1 . 1 13 13 SER HA H 1 4.37 0.005 . 1 . . . . . 13 SER HA . 28017 1
128 . 1 . 1 13 13 SER HB2 H 1 3.84 0.005 . 2 . . . . . 13 SER HB2 . 28017 1
129 . 1 . 1 13 13 SER HB3 H 1 3.84 0.005 . 2 . . . . . 13 SER HB3 . 28017 1
130 . 1 . 1 13 13 SER CA C 13 58.3 0.15 . 1 . . . . . 13 SER CA . 28017 1
131 . 1 . 1 13 13 SER CB C 13 63.8 0.1 . 1 . . . . . 13 SER CB . 28017 1
132 . 1 . 1 13 13 SER N N 15 114.6 0.15 . 1 . . . . . 13 SER N . 28017 1
133 . 1 . 1 14 14 GLN H H 1 8.41 0.005 . 1 . . . . . 14 GLN H . 28017 1
134 . 1 . 1 14 14 GLN HA H 1 4.26 0.005 . 1 . . . . . 14 GLN HA . 28017 1
135 . 1 . 1 14 14 GLN HB2 H 1 2.08 0.005 . 2 . . . . . 14 GLN HB2 . 28017 1
136 . 1 . 1 14 14 GLN HB3 H 1 2.08 0.005 . 2 . . . . . 14 GLN HB3 . 28017 1
137 . 1 . 1 14 14 GLN HG2 H 1 2.28 0.005 . 2 . . . . . 14 GLN HG2 . 28017 1
138 . 1 . 1 14 14 GLN HG3 H 1 2.28 0.005 . 2 . . . . . 14 GLN HG3 . 28017 1
139 . 1 . 1 14 14 GLN HE21 H 1 7.75 0.005 . 2 . . . . . 14 GLN HE21 . 28017 1
140 . 1 . 1 14 14 GLN HE22 H 1 6.95 0.005 . 2 . . . . . 14 GLN HE22 . 28017 1
141 . 1 . 1 14 14 GLN CA C 13 55.9 0.1 . 1 . . . . . 14 GLN CA . 28017 1
142 . 1 . 1 14 14 GLN CB C 13 29.3 0.1 . 1 . . . . . 14 GLN CB . 28017 1
143 . 1 . 1 14 14 GLN CG C 13 33.6 0.1 . 1 . . . . . 14 GLN CG . 28017 1
144 . 1 . 1 14 14 GLN N N 15 121.6 0.15 . 1 . . . . . 14 GLN N . 28017 1
145 . 1 . 1 14 14 GLN NE2 N 15 112.6 0.15 . 1 . . . . . 14 GLN NE2 . 28017 1
146 . 1 . 1 15 15 GLN H H 1 8.42 0.005 . 1 . . . . . 15 GLN H . 28017 1
147 . 1 . 1 15 15 GLN HA H 1 4.23 0.005 . 1 . . . . . 15 GLN HA . 28017 1
148 . 1 . 1 15 15 GLN HB2 H 1 2.05 0.005 . 1 . . . . . 15 GLN HB2 . 28017 1
149 . 1 . 1 15 15 GLN HB3 H 1 2.05 0.005 . 1 . . . . . 15 GLN HB3 . 28017 1
150 . 1 . 1 15 15 GLN HG2 H 1 2.30 0.005 . 1 . . . . . 15 GLN HG2 . 28017 1
151 . 1 . 1 15 15 GLN HG3 H 1 2.30 0.005 . 1 . . . . . 15 GLN HG3 . 28017 1
152 . 1 . 1 15 15 GLN HE21 H 1 7.56 0.005 . 2 . . . . . 15 GLN HE21 . 28017 1
153 . 1 . 1 15 15 GLN HE22 H 1 6.94 0.005 . 2 . . . . . 15 GLN HE22 . 28017 1
154 . 1 . 1 15 15 GLN CA C 13 55.9 0.1 . 1 . . . . . 15 GLN CA . 28017 1
155 . 1 . 1 15 15 GLN CB C 13 29.3 0.1 . 1 . . . . . 15 GLN CB . 28017 1
156 . 1 . 1 15 15 GLN CG C 13 33.6 0.1 . 1 . . . . . 15 GLN CG . 28017 1
157 . 1 . 1 15 15 GLN N N 15 120.7 0.15 . 1 . . . . . 15 GLN N . 28017 1
158 . 1 . 1 15 15 GLN NE2 N 15 112.6 0.2 . 1 . . . . . 15 GLN NE2 . 28017 1
159 . 1 . 1 16 16 ASN H H 1 8.56 0.005 . 1 . . . . . 16 ASN H . 28017 1
160 . 1 . 1 16 16 ASN HA H 1 4.66 0.005 . 1 . . . . . 16 ASN HA . 28017 1
161 . 1 . 1 16 16 ASN HB2 H 1 2.80 0.005 . 2 . . . . . 16 ASN HB2 . 28017 1
162 . 1 . 1 16 16 ASN HB3 H 1 2.72 0.005 . 2 . . . . . 16 ASN HB3 . 28017 1
163 . 1 . 1 16 16 ASN HD21 H 1 7.68 0.005 . 2 . . . . . 16 ASN HD21 . 28017 1
164 . 1 . 1 16 16 ASN HD22 H 1 7.01 0.005 . 2 . . . . . 16 ASN HD22 . 28017 1
165 . 1 . 1 16 16 ASN CA C 13 53.3 0.1 . 1 . . . . . 16 ASN CA . 28017 1
166 . 1 . 1 16 16 ASN CB C 13 38.6 0.1 . 1 . . . . . 16 ASN CB . 28017 1
167 . 1 . 1 16 16 ASN N N 15 119.3 0.15 . 1 . . . . . 16 ASN N . 28017 1
168 . 1 . 1 16 16 ASN ND2 N 15 112.8 0.2 . 1 . . . . . 16 ASN ND2 . 28017 1
169 . 1 . 1 17 17 GLN H H 1 8.50 0.005 . 1 . . . . . 17 GLN H . 28017 1
170 . 1 . 1 17 17 GLN HA H 1 4.34 0.005 . 1 . . . . . 17 GLN HA . 28017 1
171 . 1 . 1 17 17 GLN HB2 H 1 2.15 0.005 . 2 . . . . . 17 GLN HB2 . 28017 1
172 . 1 . 1 17 17 GLN HB3 H 1 1.95 0.005 . 2 . . . . . 17 GLN HB3 . 28017 1
173 . 1 . 1 17 17 GLN HG2 H 1 2.32 0.005 . 2 . . . . . 17 GLN HG2 . 28017 1
174 . 1 . 1 17 17 GLN HG3 H 1 2.32 0.005 . 2 . . . . . 17 GLN HG3 . 28017 1
175 . 1 . 1 17 17 GLN HE21 H 1 7.60 0.005 . 2 . . . . . 17 GLN HE21 . 28017 1
176 . 1 . 1 17 17 GLN HE22 H 1 6.94 0.005 . 2 . . . . . 17 GLN HE22 . 28017 1
177 . 1 . 1 17 17 GLN CA C 13 55.9 0.1 . 1 . . . . . 17 GLN CA . 28017 1
178 . 1 . 1 17 17 GLN CB C 13 29.3 0.1 . 1 . . . . . 17 GLN CB . 28017 1
179 . 1 . 1 17 17 GLN CG C 13 33.6 0.1 . 1 . . . . . 17 GLN CG . 28017 1
180 . 1 . 1 17 17 GLN N N 15 120.7 0.15 . 1 . . . . . 17 GLN N . 28017 1
181 . 1 . 1 17 17 GLN NE2 N 15 112.6 0.2 . 1 . . . . . 17 GLN NE2 . 28017 1
182 . 1 . 1 18 18 SER H H 1 8.49 0.005 . 1 . . . . . 18 SER H . 28017 1
183 . 1 . 1 18 18 SER HA H 1 4.48 0.005 . 1 . . . . . 18 SER HA . 28017 1
184 . 1 . 1 18 18 SER HB2 H 1 3.86 0.005 . 2 . . . . . 18 SER HB2 . 28017 1
185 . 1 . 1 18 18 SER HB3 H 1 3.86 0.005 . 2 . . . . . 18 SER HB3 . 28017 1
186 . 1 . 1 18 18 SER CA C 13 58.2 0.1 . 1 . . . . . 18 SER CA . 28017 1
187 . 1 . 1 18 18 SER CB C 13 63.6 0.1 . 1 . . . . . 18 SER CB . 28017 1
188 . 1 . 1 18 18 SER N N 15 116.7 0.15 . 1 . . . . . 18 SER N . 28017 1
189 . 1 . 1 19 19 GLY H H 1 8.29 0.005 . 1 . . . . . 19 GLY H . 28017 1
190 . 1 . 1 19 19 GLY HA2 H 1 4.03 0.005 . 2 . . . . . 19 GLY HA2 . 28017 1
191 . 1 . 1 19 19 GLY HA3 H 1 4.03 0.005 . 2 . . . . . 19 GLY HA3 . 28017 1
192 . 1 . 1 19 19 GLY CA C 13 44.5 0.1 . 1 . . . . . 19 GLY CA . 28017 1
193 . 1 . 1 19 19 GLY N N 15 110.4 0.15 . 1 . . . . . 19 GLY N . 28017 1
194 . 1 . 1 20 20 PRO HA H 1 4.41 0.005 . 1 . . . . . 20 PRO HA . 28017 1
195 . 1 . 1 20 20 PRO HB2 H 1 2.23 0.005 . 2 . . . . . 20 PRO HB2 . 28017 1
196 . 1 . 1 20 20 PRO HB3 H 1 1.94 0.005 . 2 . . . . . 20 PRO HB3 . 28017 1
197 . 1 . 1 20 20 PRO HG2 H 1 2.00 0.005 . 2 . . . . . 20 PRO HG2 . 28017 1
198 . 1 . 1 20 20 PRO HG3 H 1 2.00 0.005 . 2 . . . . . 20 PRO HG3 . 28017 1
199 . 1 . 1 20 20 PRO HD2 H 1 3.56 0.005 . 2 . . . . . 20 PRO HD2 . 28017 1
200 . 1 . 1 20 20 PRO HD3 H 1 3.49 0.005 . 2 . . . . . 20 PRO HD3 . 28017 1
201 . 1 . 1 20 20 PRO CA C 13 63.3 0.1 . 1 . . . . . 20 PRO CA . 28017 1
202 . 1 . 1 20 20 PRO CB C 13 32.1 0.1 . 1 . . . . . 20 PRO CB . 28017 1
203 . 1 . 1 20 20 PRO CG C 13 27.2 0.1 . 1 . . . . . 20 PRO CG . 28017 1
204 . 1 . 1 20 20 PRO CD C 13 49.6 0.1 . 1 . . . . . 20 PRO CD . 28017 1
205 . 1 . 1 21 21 SER H H 1 8.63 0.005 . 1 . . . . . 21 SER H . 28017 1
206 . 1 . 1 21 21 SER HA H 1 4.42 0.005 . 1 . . . . . 21 SER HA . 28017 1
207 . 1 . 1 21 21 SER HB2 H 1 3.89 0.005 . 2 . . . . . 21 SER HB2 . 28017 1
208 . 1 . 1 21 21 SER HB3 H 1 3.89 0.005 . 2 . . . . . 21 SER HB3 . 28017 1
209 . 1 . 1 21 21 SER CA C 13 58.3 0.1 . 1 . . . . . 21 SER CA . 28017 1
210 . 1 . 1 21 21 SER CB C 13 63.6 0.1 . 1 . . . . . 21 SER CB . 28017 1
211 . 1 . 1 21 21 SER N N 15 116.0 0.15 . 1 . . . . . 21 SER N . 28017 1
212 . 1 . 1 22 22 GLY H H 1 8.45 0.005 . 1 . . . . . 22 GLY H . 28017 1
213 . 1 . 1 22 22 GLY HA2 H 1 3.95 0.005 . 2 . . . . . 22 GLY HA2 . 28017 1
214 . 1 . 1 22 22 GLY HA3 H 1 3.95 0.005 . 2 . . . . . 22 GLY HA3 . 28017 1
215 . 1 . 1 22 22 GLY CA C 13 45.2 0.1 . 1 . . . . . 22 GLY CA . 28017 1
216 . 1 . 1 22 22 GLY N N 15 110.4 0.15 . 1 . . . . . 22 GLY N . 28017 1
217 . 1 . 1 23 23 ASN H H 1 8.43 0.005 . 1 . . . . . 23 ASN H . 28017 1
218 . 1 . 1 23 23 ASN HA H 1 4.72 0.005 . 1 . . . . . 23 ASN HA . 28017 1
219 . 1 . 1 23 23 ASN HB2 H 1 2.82 0.005 . 2 . . . . . 23 ASN HB2 . 28017 1
220 . 1 . 1 23 23 ASN HB3 H 1 2.73 0.005 . 2 . . . . . 23 ASN HB3 . 28017 1
221 . 1 . 1 23 23 ASN HD21 H 1 7.68 0.005 . 2 . . . . . 23 ASN HD21 . 28017 1
222 . 1 . 1 23 23 ASN HD22 H 1 7.01 0.005 . 2 . . . . . 23 ASN HD22 . 28017 1
223 . 1 . 1 23 23 ASN CA C 13 53.0 0.1 . 1 . . . . . 23 ASN CA . 28017 1
224 . 1 . 1 23 23 ASN CB C 13 38.6 0.1 . 1 . . . . . 23 ASN CB . 28017 1
225 . 1 . 1 23 23 ASN N N 15 118.3 0.15 . 1 . . . . . 23 ASN N . 28017 1
226 . 1 . 1 23 23 ASN ND2 N 15 112.8 0.2 . 1 . . . . . 23 ASN ND2 . 28017 1
227 . 1 . 1 24 24 ASN H H 1 8.59 0.005 . 1 . . . . . 24 ASN H . 28017 1
228 . 1 . 1 24 24 ASN HA H 1 4.67 0.005 . 1 . . . . . 24 ASN HA . 28017 1
229 . 1 . 1 24 24 ASN HB2 H 1 2.83 0.005 . 2 . . . . . 24 ASN HB2 . 28017 1
230 . 1 . 1 24 24 ASN HB3 H 1 2.75 0.005 . 2 . . . . . 24 ASN HB3 . 28017 1
231 . 1 . 1 24 24 ASN HD21 H 1 7.68 0.005 . 2 . . . . . 24 ASN HD21 . 28017 1
232 . 1 . 1 24 24 ASN HD22 H 1 7.01 0.005 . 2 . . . . . 24 ASN HD22 . 28017 1
233 . 1 . 1 24 24 ASN CA C 13 53.3 0.1 . 1 . . . . . 24 ASN CA . 28017 1
234 . 1 . 1 24 24 ASN CB C 13 38.6 0.1 . 1 . . . . . 24 ASN CB . 28017 1
235 . 1 . 1 24 24 ASN N N 15 119.1 0.15 . 1 . . . . . 24 ASN N . 28017 1
236 . 1 . 1 24 24 ASN ND2 N 15 112.8 0.2 . 1 . . . . . 24 ASN ND2 . 28017 1
237 . 1 . 1 25 25 GLN H H 1 8.51 0.005 . 1 . . . . . 25 GLN H . 28017 1
238 . 1 . 1 25 25 GLN HA H 1 4.29 0.005 . 1 . . . . . 25 GLN HA . 28017 1
239 . 1 . 1 25 25 GLN HB2 H 1 2.13 0.005 . 2 . . . . . 25 GLN HB2 . 28017 1
240 . 1 . 1 25 25 GLN HB3 H 1 1.95 0.005 . 2 . . . . . 25 GLN HB3 . 28017 1
241 . 1 . 1 25 25 GLN HG2 H 1 2.32 0.005 . 2 . . . . . 25 GLN HG2 . 28017 1
242 . 1 . 1 25 25 GLN HG3 H 1 2.32 0.005 . 2 . . . . . 25 GLN HG3 . 28017 1
243 . 1 . 1 25 25 GLN HE21 H 1 7.58 0.005 . 2 . . . . . 25 GLN HE21 . 28017 1
244 . 1 . 1 25 25 GLN HE22 H 1 6.94 0.005 . 2 . . . . . 25 GLN HE22 . 28017 1
245 . 1 . 1 25 25 GLN CA C 13 55.9 0.1 . 1 . . . . . 25 GLN CA . 28017 1
246 . 1 . 1 25 25 GLN CB C 13 29.3 0.1 . 1 . . . . . 25 GLN CB . 28017 1
247 . 1 . 1 25 25 GLN CG C 13 33.6 0.1 . 1 . . . . . 25 GLN CG . 28017 1
248 . 1 . 1 25 25 GLN N N 15 120.8 0.15 . 1 . . . . . 25 GLN N . 28017 1
249 . 1 . 1 25 25 GLN NE2 N 15 112.6 0.2 . 1 . . . . . 25 GLN NE2 . 28017 1
250 . 1 . 1 26 26 ASN H H 1 8.59 0.005 . 1 . . . . . 26 ASN H . 28017 1
251 . 1 . 1 26 26 ASN HA H 1 4.66 0.005 . 1 . . . . . 26 ASN HA . 28017 1
252 . 1 . 1 26 26 ASN HB2 H 1 2.83 0.005 . 2 . . . . . 26 ASN HB2 . 28017 1
253 . 1 . 1 26 26 ASN HB3 H 1 2.75 0.005 . 2 . . . . . 26 ASN HB3 . 28017 1
254 . 1 . 1 26 26 ASN HD21 H 1 7.72 0.005 . 2 . . . . . 26 ASN HD21 . 28017 1
255 . 1 . 1 26 26 ASN HD22 H 1 7.02 0.005 . 2 . . . . . 26 ASN HD22 . 28017 1
256 . 1 . 1 26 26 ASN CA C 13 53.3 0.1 . 1 . . . . . 26 ASN CA . 28017 1
257 . 1 . 1 26 26 ASN CB C 13 38.6 0.1 . 1 . . . . . 26 ASN CB . 28017 1
258 . 1 . 1 26 26 ASN N N 15 119.2 0.15 . 1 . . . . . 26 ASN N . 28017 1
259 . 1 . 1 26 26 ASN ND2 N 15 113.1 0.15 . 1 . . . . . 26 ASN ND2 . 28017 1
260 . 1 . 1 27 27 GLN H H 1 8.51 0.005 . 1 . . . . . 27 GLN H . 28017 1
261 . 1 . 1 27 27 GLN HA H 1 4.34 0.005 . 1 . . . . . 27 GLN HA . 28017 1
262 . 1 . 1 27 27 GLN HB2 H 1 2.13 0.005 . 2 . . . . . 27 GLN HB2 . 28017 1
263 . 1 . 1 27 27 GLN HB3 H 1 1.95 0.005 . 2 . . . . . 27 GLN HB3 . 28017 1
264 . 1 . 1 27 27 GLN HG2 H 1 2.32 0.005 . 2 . . . . . 27 GLN HG2 . 28017 1
265 . 1 . 1 27 27 GLN HG3 H 1 2.32 0.005 . 2 . . . . . 27 GLN HG3 . 28017 1
266 . 1 . 1 27 27 GLN HE21 H 1 7.58 0.005 . 2 . . . . . 27 GLN HE21 . 28017 1
267 . 1 . 1 27 27 GLN HE22 H 1 6.94 0.005 . 2 . . . . . 27 GLN HE22 . 28017 1
268 . 1 . 1 27 27 GLN CA C 13 55.7 0.1 . 1 . . . . . 27 GLN CA . 28017 1
269 . 1 . 1 27 27 GLN CB C 13 29.3 0.1 . 1 . . . . . 27 GLN CB . 28017 1
270 . 1 . 1 27 27 GLN CG C 13 33.6 0.1 . 1 . . . . . 27 GLN CG . 28017 1
271 . 1 . 1 27 27 GLN N N 15 119.9 0.15 . 1 . . . . . 27 GLN N . 28017 1
272 . 1 . 1 27 27 GLN NE2 N 15 112.6 0.1 . 1 . . . . . 27 GLN NE2 . 28017 1
273 . 1 . 1 28 28 GLY H H 1 8.23 0.005 . 1 . . . . . 28 GLY H . 28017 1
274 . 1 . 1 28 28 GLY HA2 H 1 3.74 0.005 . 2 . . . . . 28 GLY HA2 . 28017 1
275 . 1 . 1 28 28 GLY HA3 H 1 3.74 0.005 . 2 . . . . . 28 GLY HA3 . 28017 1
276 . 1 . 1 28 28 GLY CA C 13 45.9 0.1 . 1 . . . . . 28 GLY CA . 28017 1
277 . 1 . 1 28 28 GLY N N 15 116.4 0.15 . 1 . . . . . 28 GLY N . 28017 1
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