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 31111
_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 .
_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' . . . 31111 1
2 '2D 1H-13C HSQC aliphatic' . . . 31111 1
3 '2D 1H-13C HSQC aromatic' . . . 31111 1
4 '2D 1H-1H NOESY' . . . 31111 1
5 '2D 1H-1H TOCSY' . . . 31111 1
6 '2D 1H-15N HSQC' . . . 31111 1
7 '2D 1H-1H TOCSY' . . . 31111 1
8 '2D 1H-1H NOESY' . . . 31111 1
9 '3D 1H-15N TOCSY' . . . 31111 1
10 '3D 1H-13C NOESY' . . . 31111 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 ALA HA H 1 4.22 0.02 . 1 . . . . A 0 ALA HA . 31111 1
2 . 1 . 1 1 1 ALA HB1 H 1 1.55 0.02 . 1 . . . . A 0 ALA HB1 . 31111 1
3 . 1 . 1 1 1 ALA HB2 H 1 1.55 0.02 . 1 . . . . A 0 ALA HB2 . 31111 1
4 . 1 . 1 1 1 ALA HB3 H 1 1.55 0.02 . 1 . . . . A 0 ALA HB3 . 31111 1
5 . 1 . 1 1 1 ALA CA C 13 51.7 0.2 . 1 . . . . A 0 ALA CA . 31111 1
6 . 1 . 1 1 1 ALA CB C 13 19.4 0.2 . 1 . . . . A 0 ALA CB . 31111 1
7 . 1 . 1 2 2 THR H H 1 8.69 0.02 . 1 . . . . A 1 THR H . 31111 1
8 . 1 . 1 2 2 THR HA H 1 4.60 0.02 . 1 . . . . A 1 THR HA . 31111 1
9 . 1 . 1 2 2 THR HB H 1 4.15 0.02 . 1 . . . . A 1 THR HB . 31111 1
10 . 1 . 1 2 2 THR HG1 H 1 4.15 0.02 . 1 . . . . A 1 THR HG1 . 31111 1
11 . 1 . 1 2 2 THR HG21 H 1 1.18 0.02 . 1 . . . . A 1 THR HG21 . 31111 1
12 . 1 . 1 2 2 THR HG22 H 1 1.18 0.02 . 1 . . . . A 1 THR HG22 . 31111 1
13 . 1 . 1 2 2 THR HG23 H 1 1.18 0.02 . 1 . . . . A 1 THR HG23 . 31111 1
14 . 1 . 1 2 2 THR CA C 13 63.8 0.2 . 1 . . . . A 1 THR CA . 31111 1
15 . 1 . 1 2 2 THR CB C 13 69.6 0.2 . 1 . . . . A 1 THR CB . 31111 1
16 . 1 . 1 2 2 THR CG2 C 13 21.9 0.2 . 1 . . . . A 1 THR CG2 . 31111 1
17 . 1 . 1 2 2 THR N N 15 115.0 0.2 . 1 . . . . A 1 THR N . 31111 1
18 . 1 . 1 3 3 LYS H H 1 9.21 0.02 . 1 . . . . A 2 LYS H . 31111 1
19 . 1 . 1 3 3 LYS HA H 1 5.04 0.02 . 1 . . . . A 2 LYS HA . 31111 1
20 . 1 . 1 3 3 LYS HB2 H 1 1.66 0.02 . 2 . . . . A 2 LYS HB2 . 31111 1
21 . 1 . 1 3 3 LYS HB3 H 1 1.87 0.02 . 2 . . . . A 2 LYS HB3 . 31111 1
22 . 1 . 1 3 3 LYS HE2 H 1 3.10 0.02 . 2 . . . . A 2 LYS HE2 . 31111 1
23 . 1 . 1 3 3 LYS HE3 H 1 3.16 0.02 . 2 . . . . A 2 LYS HE3 . 31111 1
24 . 1 . 1 3 3 LYS CA C 13 52.9 0.2 . 1 . . . . A 2 LYS CA . 31111 1
25 . 1 . 1 3 3 LYS CB C 13 35.5 0.2 . 1 . . . . A 2 LYS CB . 31111 1
26 . 1 . 1 3 3 LYS CE C 13 42.4 0.2 . 1 . . . . A 2 LYS CE . 31111 1
27 . 1 . 1 3 3 LYS N N 15 126.1 0.2 . 1 . . . . A 2 LYS N . 31111 1
28 . 1 . 1 4 4 PRO HA H 1 4.70 0.02 . 1 . . . . A 3 PRO HA . 31111 1
29 . 1 . 1 4 4 PRO HB2 H 1 1.75 0.02 . 2 . . . . A 3 PRO HB2 . 31111 1
30 . 1 . 1 4 4 PRO HB3 H 1 2.06 0.02 . 2 . . . . A 3 PRO HB3 . 31111 1
31 . 1 . 1 4 4 PRO HG2 H 1 2.04 0.02 . 2 . . . . A 3 PRO HG2 . 31111 1
32 . 1 . 1 4 4 PRO HG3 H 1 2.04 0.02 . 2 . . . . A 3 PRO HG3 . 31111 1
33 . 1 . 1 4 4 PRO HD2 H 1 3.84 0.02 . 2 . . . . A 3 PRO HD2 . 31111 1
34 . 1 . 1 4 4 PRO HD3 H 1 3.96 0.02 . 2 . . . . A 3 PRO HD3 . 31111 1
35 . 1 . 1 4 4 PRO CA C 13 56.9 0.2 . 1 . . . . A 3 PRO CA . 31111 1
36 . 1 . 1 4 4 PRO CB C 13 32.6 0.2 . 1 . . . . A 3 PRO CB . 31111 1
37 . 1 . 1 4 4 PRO CG C 13 27.1 0.2 . 1 . . . . A 3 PRO CG . 31111 1
38 . 1 . 1 4 4 PRO CD C 13 51.3 0.2 . 1 . . . . A 3 PRO CD . 31111 1
39 . 1 . 1 5 5 CYS H H 1 8.05 0.02 . 1 . . . . A 4 CYS H . 31111 1
40 . 1 . 1 5 5 CYS HA H 1 4.70 0.02 . 1 . . . . A 4 CYS HA . 31111 1
41 . 1 . 1 5 5 CYS HB2 H 1 2.94 0.02 . 2 . . . . A 4 CYS HB2 . 31111 1
42 . 1 . 1 5 5 CYS HB3 H 1 3.17 0.02 . 2 . . . . A 4 CYS HB3 . 31111 1
43 . 1 . 1 5 5 CYS CA C 13 53.8 0.2 . 1 . . . . A 4 CYS CA . 31111 1
44 . 1 . 1 5 5 CYS CB C 13 47.4 0.2 . 1 . . . . A 4 CYS CB . 31111 1
45 . 1 . 1 5 5 CYS N N 15 114.4 0.2 . 1 . . . . A 4 CYS N . 31111 1
46 . 1 . 1 6 6 GLN H H 1 9.34 0.02 . 1 . . . . A 5 GLN H . 31111 1
47 . 1 . 1 6 6 GLN HA H 1 4.42 0.02 . 1 . . . . A 5 GLN HA . 31111 1
48 . 1 . 1 6 6 GLN HB2 H 1 1.99 0.02 . 2 . . . . A 5 GLN HB2 . 31111 1
49 . 1 . 1 6 6 GLN HB3 H 1 2.16 0.02 . 2 . . . . A 5 GLN HB3 . 31111 1
50 . 1 . 1 6 6 GLN HG2 H 1 2.32 0.02 . 2 . . . . A 5 GLN HG2 . 31111 1
51 . 1 . 1 6 6 GLN HG3 H 1 2.32 0.02 . 2 . . . . A 5 GLN HG3 . 31111 1
52 . 1 . 1 6 6 GLN HE21 H 1 7.58 0.02 . 2 . . . . A 5 GLN HE21 . 31111 1
53 . 1 . 1 6 6 GLN HE22 H 1 6.82 0.02 . 2 . . . . A 5 GLN HE22 . 31111 1
54 . 1 . 1 6 6 GLN CA C 13 55.9 0.2 . 1 . . . . A 5 GLN CA . 31111 1
55 . 1 . 1 6 6 GLN CB C 13 30.8 0.2 . 1 . . . . A 5 GLN CB . 31111 1
56 . 1 . 1 6 6 GLN CG C 13 34.2 0.2 . 1 . . . . A 5 GLN CG . 31111 1
57 . 1 . 1 6 6 GLN N N 15 117.4 0.2 . 1 . . . . A 5 GLN N . 31111 1
58 . 1 . 1 6 6 GLN NE2 N 15 112.2 0.2 . 1 . . . . A 5 GLN NE2 . 31111 1
59 . 1 . 1 7 7 SER H H 1 8.19 0.02 . 1 . . . . A 6 SER H . 31111 1
60 . 1 . 1 7 7 SER HA H 1 4.74 0.02 . 1 . . . . A 6 SER HA . 31111 1
61 . 1 . 1 7 7 SER HB2 H 1 3.89 0.02 . 2 . . . . A 6 SER HB2 . 31111 1
62 . 1 . 1 7 7 SER HB3 H 1 4.10 0.02 . 2 . . . . A 6 SER HB3 . 31111 1
63 . 1 . 1 7 7 SER CA C 13 62.0 0.2 . 1 . . . . A 6 SER CA . 31111 1
64 . 1 . 1 7 7 SER CB C 13 66.0 0.2 . 1 . . . . A 6 SER CB . 31111 1
65 . 1 . 1 7 7 SER N N 15 113.7 0.2 . 1 . . . . A 6 SER N . 31111 1
66 . 1 . 1 8 8 ASP H H 1 9.23 0.02 . 1 . . . . A 7 ASP H . 31111 1
67 . 1 . 1 8 8 ASP HA H 1 4.10 0.02 . 1 . . . . A 7 ASP HA . 31111 1
68 . 1 . 1 8 8 ASP HB2 H 1 2.70 0.02 . 2 . . . . A 7 ASP HB2 . 31111 1
69 . 1 . 1 8 8 ASP HB3 H 1 2.70 0.02 . 2 . . . . A 7 ASP HB3 . 31111 1
70 . 1 . 1 8 8 ASP CA C 13 58.6 0.2 . 1 . . . . A 7 ASP CA . 31111 1
71 . 1 . 1 8 8 ASP CB C 13 39.8 0.2 . 1 . . . . A 7 ASP CB . 31111 1
72 . 1 . 1 8 8 ASP N N 15 121.8 0.2 . 1 . . . . A 7 ASP N . 31111 1
73 . 1 . 1 9 9 LYS H H 1 8.28 0.02 . 1 . . . . A 8 LYS H . 31111 1
74 . 1 . 1 9 9 LYS HA H 1 4.07 0.02 . 1 . . . . A 8 LYS HA . 31111 1
75 . 1 . 1 9 9 LYS HB2 H 1 1.83 0.02 . 2 . . . . A 8 LYS HB2 . 31111 1
76 . 1 . 1 9 9 LYS HB3 H 1 1.83 0.02 . 2 . . . . A 8 LYS HB3 . 31111 1
77 . 1 . 1 9 9 LYS HG2 H 1 1.46 0.02 . 2 . . . . A 8 LYS HG2 . 31111 1
78 . 1 . 1 9 9 LYS HG3 H 1 1.46 0.02 . 2 . . . . A 8 LYS HG3 . 31111 1
79 . 1 . 1 9 9 LYS HE2 H 1 2.83 0.02 . 2 . . . . A 8 LYS HE2 . 31111 1
80 . 1 . 1 9 9 LYS HE3 H 1 2.83 0.02 . 2 . . . . A 8 LYS HE3 . 31111 1
81 . 1 . 1 9 9 LYS CA C 13 59.3 0.2 . 1 . . . . A 8 LYS CA . 31111 1
82 . 1 . 1 9 9 LYS CB C 13 31.5 0.2 . 1 . . . . A 8 LYS CB . 31111 1
83 . 1 . 1 9 9 LYS CE C 13 41.8 0.2 . 1 . . . . A 8 LYS CE . 31111 1
84 . 1 . 1 9 9 LYS N N 15 120.7 0.2 . 1 . . . . A 8 LYS N . 31111 1
85 . 1 . 1 10 10 ASP H H 1 7.55 0.02 . 1 . . . . A 9 ASP H . 31111 1
86 . 1 . 1 10 10 ASP HA H 1 4.58 0.02 . 1 . . . . A 9 ASP HA . 31111 1
87 . 1 . 1 10 10 ASP HB2 H 1 2.97 0.02 . 2 . . . . A 9 ASP HB2 . 31111 1
88 . 1 . 1 10 10 ASP HB3 H 1 2.97 0.02 . 2 . . . . A 9 ASP HB3 . 31111 1
89 . 1 . 1 10 10 ASP CB C 13 42.1 0.2 . 1 . . . . A 9 ASP CB . 31111 1
90 . 1 . 1 10 10 ASP N N 15 117.5 0.2 . 1 . . . . A 9 ASP N . 31111 1
91 . 1 . 1 11 11 CYS H H 1 7.85 0.02 . 1 . . . . A 10 CYS H . 31111 1
92 . 1 . 1 11 11 CYS HA H 1 4.88 0.02 . 1 . . . . A 10 CYS HA . 31111 1
93 . 1 . 1 11 11 CYS HB2 H 1 2.43 0.02 . 2 . . . . A 10 CYS HB2 . 31111 1
94 . 1 . 1 11 11 CYS HB3 H 1 3.24 0.02 . 2 . . . . A 10 CYS HB3 . 31111 1
95 . 1 . 1 11 11 CYS CA C 13 56.1 0.2 . 1 . . . . A 10 CYS CA . 31111 1
96 . 1 . 1 11 11 CYS CB C 13 38.8 0.2 . 1 . . . . A 10 CYS CB . 31111 1
97 . 1 . 1 11 11 CYS N N 15 114.5 0.2 . 1 . . . . A 10 CYS N . 31111 1
98 . 1 . 1 12 12 LYS H H 1 7.16 0.02 . 1 . . . . A 11 LYS H . 31111 1
99 . 1 . 1 12 12 LYS HA H 1 4.08 0.02 . 1 . . . . A 11 LYS HA . 31111 1
100 . 1 . 1 12 12 LYS HB2 H 1 1.90 0.02 . 2 . . . . A 11 LYS HB2 . 31111 1
101 . 1 . 1 12 12 LYS HB3 H 1 1.98 0.02 . 2 . . . . A 11 LYS HB3 . 31111 1
102 . 1 . 1 12 12 LYS HG2 H 1 1.73 0.02 . 2 . . . . A 11 LYS HG2 . 31111 1
103 . 1 . 1 12 12 LYS HG3 H 1 1.73 0.02 . 2 . . . . A 11 LYS HG3 . 31111 1
104 . 1 . 1 12 12 LYS HE2 H 1 3.23 0.02 . 2 . . . . A 11 LYS HE2 . 31111 1
105 . 1 . 1 12 12 LYS HE3 H 1 3.23 0.02 . 2 . . . . A 11 LYS HE3 . 31111 1
106 . 1 . 1 12 12 LYS CA C 13 59.5 0.2 . 1 . . . . A 11 LYS CA . 31111 1
107 . 1 . 1 12 12 LYS CB C 13 32.8 0.2 . 1 . . . . A 11 LYS CB . 31111 1
108 . 1 . 1 12 12 LYS CG C 13 27.0 0.2 . 1 . . . . A 11 LYS CG . 31111 1
109 . 1 . 1 12 12 LYS CE C 13 43.2 0.2 . 1 . . . . A 11 LYS CE . 31111 1
110 . 1 . 1 12 12 LYS N N 15 119.2 0.2 . 1 . . . . A 11 LYS N . 31111 1
111 . 1 . 1 13 13 LYS H H 1 8.57 0.02 . 1 . . . . A 12 LYS H . 31111 1
112 . 1 . 1 13 13 LYS HA H 1 4.43 0.02 . 1 . . . . A 12 LYS HA . 31111 1
113 . 1 . 1 13 13 LYS HB2 H 1 1.68 0.02 . 2 . . . . A 12 LYS HB2 . 31111 1
114 . 1 . 1 13 13 LYS HB3 H 1 2.10 0.02 . 2 . . . . A 12 LYS HB3 . 31111 1
115 . 1 . 1 13 13 LYS HG2 H 1 1.41 0.02 . 2 . . . . A 12 LYS HG2 . 31111 1
116 . 1 . 1 13 13 LYS HG3 H 1 1.41 0.02 . 2 . . . . A 12 LYS HG3 . 31111 1
117 . 1 . 1 13 13 LYS HE2 H 1 3.02 0.02 . 2 . . . . A 12 LYS HE2 . 31111 1
118 . 1 . 1 13 13 LYS HE3 H 1 3.02 0.02 . 2 . . . . A 12 LYS HE3 . 31111 1
119 . 1 . 1 13 13 LYS CA C 13 55.1 0.2 . 1 . . . . A 12 LYS CA . 31111 1
120 . 1 . 1 13 13 LYS CB C 13 31.4 0.2 . 1 . . . . A 12 LYS CB . 31111 1
121 . 1 . 1 13 13 LYS CG C 13 25.2 0.2 . 1 . . . . A 12 LYS CG . 31111 1
122 . 1 . 1 13 13 LYS CE C 13 41.6 0.2 . 1 . . . . A 12 LYS CE . 31111 1
123 . 1 . 1 13 13 LYS N N 15 115.7 0.2 . 1 . . . . A 12 LYS N . 31111 1
124 . 1 . 1 14 14 PHE H H 1 7.83 0.02 . 1 . . . . A 13 PHE H . 31111 1
125 . 1 . 1 14 14 PHE HA H 1 4.43 0.01 . 1 . . . . A 13 PHE HA . 31111 1
126 . 1 . 1 14 14 PHE HB2 H 1 2.80 0.02 . 2 . . . . A 13 PHE HB2 . 31111 1
127 . 1 . 1 14 14 PHE HB3 H 1 3.29 0.02 . 2 . . . . A 13 PHE HB3 . 31111 1
128 . 1 . 1 14 14 PHE HD1 H 1 7.13 0.02 . 3 . . . . A 13 PHE HD1 . 31111 1
129 . 1 . 1 14 14 PHE HD2 H 1 7.13 0.02 . 3 . . . . A 13 PHE HD2 . 31111 1
130 . 1 . 1 14 14 PHE HE1 H 1 7.39 0.02 . 3 . . . . A 13 PHE HE1 . 31111 1
131 . 1 . 1 14 14 PHE HE2 H 1 7.39 0.02 . 3 . . . . A 13 PHE HE2 . 31111 1
132 . 1 . 1 14 14 PHE CA C 13 58.4 0.2 . 1 . . . . A 13 PHE CA . 31111 1
133 . 1 . 1 14 14 PHE CB C 13 40.3 0.2 . 1 . . . . A 13 PHE CB . 31111 1
134 . 1 . 1 14 14 PHE N N 15 125.3 0.2 . 1 . . . . A 13 PHE N . 31111 1
135 . 1 . 1 15 15 ALA H H 1 7.82 0.02 . 1 . . . . A 14 ALA H . 31111 1
136 . 1 . 1 15 15 ALA HA H 1 4.33 0.02 . 1 . . . . A 14 ALA HA . 31111 1
137 . 1 . 1 15 15 ALA HB1 H 1 1.17 0.02 . 1 . . . . A 14 ALA HB1 . 31111 1
138 . 1 . 1 15 15 ALA HB2 H 1 1.17 0.02 . 1 . . . . A 14 ALA HB2 . 31111 1
139 . 1 . 1 15 15 ALA HB3 H 1 1.17 0.02 . 1 . . . . A 14 ALA HB3 . 31111 1
140 . 1 . 1 15 15 ALA CA C 13 53.0 0.2 . 1 . . . . A 14 ALA CA . 31111 1
141 . 1 . 1 15 15 ALA CB C 13 18.8 0.2 . 1 . . . . A 14 ALA CB . 31111 1
142 . 1 . 1 15 15 ALA N N 15 129.7 0.2 . 1 . . . . A 14 ALA N . 31111 1
143 . 1 . 1 16 16 CYS H H 1 8.17 0.02 . 1 . . . . A 15 CYS H . 31111 1
144 . 1 . 1 16 16 CYS HA H 1 4.95 0.02 . 1 . . . . A 15 CYS HA . 31111 1
145 . 1 . 1 16 16 CYS HB2 H 1 2.40 0.02 . 2 . . . . A 15 CYS HB2 . 31111 1
146 . 1 . 1 16 16 CYS HB3 H 1 2.62 0.02 . 2 . . . . A 15 CYS HB3 . 31111 1
147 . 1 . 1 16 16 CYS CA C 13 52.1 0.2 . 1 . . . . A 15 CYS CA . 31111 1
148 . 1 . 1 16 16 CYS CB C 13 41.5 0.2 . 1 . . . . A 15 CYS CB . 31111 1
149 . 1 . 1 16 16 CYS N N 15 119.0 0.2 . 1 . . . . A 15 CYS N . 31111 1
150 . 1 . 1 17 17 ARG H H 1 8.94 0.02 . 1 . . . . A 16 ARG H . 31111 1
151 . 1 . 1 17 17 ARG HA H 1 4.43 0.02 . 1 . . . . A 16 ARG HA . 31111 1
152 . 1 . 1 17 17 ARG HB2 H 1 1.73 0.02 . 2 . . . . A 16 ARG HB2 . 31111 1
153 . 1 . 1 17 17 ARG HB3 H 1 1.80 0.02 . 2 . . . . A 16 ARG HB3 . 31111 1
154 . 1 . 1 17 17 ARG HD2 H 1 3.24 0.02 . 2 . . . . A 16 ARG HD2 . 31111 1
155 . 1 . 1 17 17 ARG HD3 H 1 3.24 0.02 . 2 . . . . A 16 ARG HD3 . 31111 1
156 . 1 . 1 17 17 ARG CA C 13 55.9 0.2 . 1 . . . . A 16 ARG CA . 31111 1
157 . 1 . 1 17 17 ARG CB C 13 30.2 0.2 . 1 . . . . A 16 ARG CB . 31111 1
158 . 1 . 1 17 17 ARG CD C 13 42.9 0.2 . 1 . . . . A 16 ARG CD . 31111 1
159 . 1 . 1 17 17 ARG N N 15 124.2 0.2 . 1 . . . . A 16 ARG N . 31111 1
160 . 1 . 1 18 18 LYS H H 1 8.82 0.02 . 1 . . . . A 17 LYS H . 31111 1
161 . 1 . 1 18 18 LYS HA H 1 4.43 0.02 . 1 . . . . A 17 LYS HA . 31111 1
162 . 1 . 1 18 18 LYS HB2 H 1 1.70 0.02 . 2 . . . . A 17 LYS HB2 . 31111 1
163 . 1 . 1 18 18 LYS HB3 H 1 1.81 0.02 . 2 . . . . A 17 LYS HB3 . 31111 1
164 . 1 . 1 18 18 LYS CA C 13 55.1 0.2 . 1 . . . . A 17 LYS CA . 31111 1
165 . 1 . 1 18 18 LYS CB C 13 31.2 0.2 . 1 . . . . A 17 LYS CB . 31111 1
166 . 1 . 1 18 18 LYS N N 15 128.1 0.2 . 1 . . . . A 17 LYS N . 31111 1
167 . 1 . 1 19 19 PRO HA H 1 4.59 0.02 . 1 . . . . A 18 PRO HA . 31111 1
168 . 1 . 1 19 19 PRO HB2 H 1 2.19 0.02 . 2 . . . . A 18 PRO HB2 . 31111 1
169 . 1 . 1 19 19 PRO HB3 H 1 2.44 0.02 . 2 . . . . A 18 PRO HB3 . 31111 1
170 . 1 . 1 19 19 PRO HG2 H 1 1.59 0.02 . 2 . . . . A 18 PRO HG2 . 31111 1
171 . 1 . 1 19 19 PRO HG3 H 1 2.05 0.02 . 2 . . . . A 18 PRO HG3 . 31111 1
172 . 1 . 1 19 19 PRO HD2 H 1 3.51 0.02 . 2 . . . . A 18 PRO HD2 . 31111 1
173 . 1 . 1 19 19 PRO HD3 H 1 3.58 0.02 . 2 . . . . A 18 PRO HD3 . 31111 1
174 . 1 . 1 19 19 PRO CA C 13 61.4 0.2 . 1 . . . . A 18 PRO CA . 31111 1
175 . 1 . 1 19 19 PRO CB C 13 33.5 0.2 . 1 . . . . A 18 PRO CB . 31111 1
176 . 1 . 1 19 19 PRO CG C 13 24.4 0.2 . 1 . . . . A 18 PRO CG . 31111 1
177 . 1 . 1 19 19 PRO CD C 13 49.7 0.2 . 1 . . . . A 18 PRO CD . 31111 1
178 . 1 . 1 20 20 LYS H H 1 8.74 0.02 . 1 . . . . A 19 LYS H . 31111 1
179 . 1 . 1 20 20 LYS HA H 1 4.40 0.02 . 1 . . . . A 19 LYS HA . 31111 1
180 . 1 . 1 20 20 LYS HB2 H 1 1.53 0.02 . 2 . . . . A 19 LYS HB2 . 31111 1
181 . 1 . 1 20 20 LYS HB3 H 1 1.95 0.02 . 2 . . . . A 19 LYS HB3 . 31111 1
182 . 1 . 1 20 20 LYS HG2 H 1 1.03 0.02 . 2 . . . . A 19 LYS HG2 . 31111 1
183 . 1 . 1 20 20 LYS HG3 H 1 1.53 0.02 . 2 . . . . A 19 LYS HG3 . 31111 1
184 . 1 . 1 20 20 LYS CA C 13 58.0 0.2 . 1 . . . . A 19 LYS CA . 31111 1
185 . 1 . 1 20 20 LYS CB C 13 34.0 0.2 . 1 . . . . A 19 LYS CB . 31111 1
186 . 1 . 1 20 20 LYS CG C 13 27.1 0.2 . 1 . . . . A 19 LYS CG . 31111 1
187 . 1 . 1 20 20 LYS N N 15 125.0 0.2 . 1 . . . . A 19 LYS N . 31111 1
188 . 1 . 1 21 21 VAL H H 1 9.06 0.02 . 1 . . . . A 20 VAL H . 31111 1
189 . 1 . 1 21 21 VAL HA H 1 4.78 0.02 . 1 . . . . A 20 VAL HA . 31111 1
190 . 1 . 1 21 21 VAL HB H 1 2.19 0.02 . 1 . . . . A 20 VAL HB . 31111 1
191 . 1 . 1 21 21 VAL HG11 H 1 0.92 0.02 . 2 . . . . A 20 VAL HG11 . 31111 1
192 . 1 . 1 21 21 VAL HG12 H 1 0.92 0.02 . 2 . . . . A 20 VAL HG12 . 31111 1
193 . 1 . 1 21 21 VAL HG13 H 1 0.92 0.02 . 2 . . . . A 20 VAL HG13 . 31111 1
194 . 1 . 1 21 21 VAL HG21 H 1 0.85 0.02 . 2 . . . . A 20 VAL HG21 . 31111 1
195 . 1 . 1 21 21 VAL HG22 H 1 0.85 0.02 . 2 . . . . A 20 VAL HG22 . 31111 1
196 . 1 . 1 21 21 VAL HG23 H 1 0.85 0.02 . 2 . . . . A 20 VAL HG23 . 31111 1
197 . 1 . 1 21 21 VAL CA C 13 57.7 0.2 . 1 . . . . A 20 VAL CA . 31111 1
198 . 1 . 1 21 21 VAL CB C 13 34.1 0.2 . 1 . . . . A 20 VAL CB . 31111 1
199 . 1 . 1 21 21 VAL CG1 C 13 21.6 0.2 . 2 . . . . A 20 VAL CG1 . 31111 1
200 . 1 . 1 21 21 VAL CG2 C 13 18.5 0.2 . 2 . . . . A 20 VAL CG2 . 31111 1
201 . 1 . 1 21 21 VAL N N 15 113.1 0.2 . 1 . . . . A 20 VAL N . 31111 1
202 . 1 . 1 22 22 PRO HA H 1 5.15 0.02 . 1 . . . . A 21 PRO HA . 31111 1
203 . 1 . 1 22 22 PRO HB2 H 1 2.30 0.02 . 2 . . . . A 21 PRO HB2 . 31111 1
204 . 1 . 1 22 22 PRO HB3 H 1 2.41 0.02 . 2 . . . . A 21 PRO HB3 . 31111 1
205 . 1 . 1 22 22 PRO HG2 H 1 1.59 0.02 . 2 . . . . A 21 PRO HG2 . 31111 1
206 . 1 . 1 22 22 PRO HG3 H 1 2.02 0.02 . 2 . . . . A 21 PRO HG3 . 31111 1
207 . 1 . 1 22 22 PRO HD2 H 1 3.67 0.02 . 2 . . . . A 21 PRO HD2 . 31111 1
208 . 1 . 1 22 22 PRO HD3 H 1 3.79 0.02 . 2 . . . . A 21 PRO HD3 . 31111 1
209 . 1 . 1 22 22 PRO CA C 13 61.9 0.2 . 1 . . . . A 21 PRO CA . 31111 1
210 . 1 . 1 22 22 PRO CB C 13 28.1 0.2 . 1 . . . . A 21 PRO CB . 31111 1
211 . 1 . 1 22 22 PRO CG C 13 24.4 0.2 . 1 . . . . A 21 PRO CG . 31111 1
212 . 1 . 1 22 22 PRO CD C 13 50.5 0.2 . 1 . . . . A 21 PRO CD . 31111 1
213 . 1 . 1 23 23 LYS H H 1 9.19 0.02 . 1 . . . . A 22 LYS H . 31111 1
214 . 1 . 1 23 23 LYS HA H 1 4.35 0.02 . 1 . . . . A 22 LYS HA . 31111 1
215 . 1 . 1 23 23 LYS HB2 H 1 1.48 0.02 . 2 . . . . A 22 LYS HB2 . 31111 1
216 . 1 . 1 23 23 LYS HB3 H 1 1.75 0.02 . 2 . . . . A 22 LYS HB3 . 31111 1
217 . 1 . 1 23 23 LYS HG2 H 1 1.28 0.02 . 2 . . . . A 22 LYS HG2 . 31111 1
218 . 1 . 1 23 23 LYS HG3 H 1 1.34 0.02 . 2 . . . . A 22 LYS HG3 . 31111 1
219 . 1 . 1 23 23 LYS HE2 H 1 2.77 0.02 . 2 . . . . A 22 LYS HE2 . 31111 1
220 . 1 . 1 23 23 LYS HE3 H 1 2.77 0.02 . 2 . . . . A 22 LYS HE3 . 31111 1
221 . 1 . 1 23 23 LYS CA C 13 54.3 0.2 . 1 . . . . A 22 LYS CA . 31111 1
222 . 1 . 1 23 23 LYS CB C 13 37.8 0.2 . 1 . . . . A 22 LYS CB . 31111 1
223 . 1 . 1 23 23 LYS CG C 13 25.8 0.2 . 1 . . . . A 22 LYS CG . 31111 1
224 . 1 . 1 23 23 LYS N N 15 122.6 0.2 . 1 . . . . A 22 LYS N . 31111 1
225 . 1 . 1 24 24 CYS H H 1 9.19 0.02 . 1 . . . . A 23 CYS H . 31111 1
226 . 1 . 1 24 24 CYS HA H 1 4.65 0.02 . 1 . . . . A 23 CYS HA . 31111 1
227 . 1 . 1 24 24 CYS HB2 H 1 2.50 0.02 . 2 . . . . A 23 CYS HB2 . 31111 1
228 . 1 . 1 24 24 CYS HB3 H 1 2.77 0.02 . 2 . . . . A 23 CYS HB3 . 31111 1
229 . 1 . 1 24 24 CYS CA C 13 55.1 0.2 . 1 . . . . A 23 CYS CA . 31111 1
230 . 1 . 1 24 24 CYS CB C 13 39.1 0.2 . 1 . . . . A 23 CYS CB . 31111 1
231 . 1 . 1 24 24 CYS N N 15 120.2 0.2 . 1 . . . . A 23 CYS N . 31111 1
232 . 1 . 1 25 25 ILE H H 1 8.74 0.02 . 1 . . . . A 24 ILE H . 31111 1
233 . 1 . 1 25 25 ILE HA H 1 4.41 0.02 . 1 . . . . A 24 ILE HA . 31111 1
234 . 1 . 1 25 25 ILE HB H 1 1.90 0.02 . 1 . . . . A 24 ILE HB . 31111 1
235 . 1 . 1 25 25 ILE HG12 H 1 1.27 0.02 . 2 . . . . A 24 ILE HG12 . 31111 1
236 . 1 . 1 25 25 ILE HG13 H 1 1.27 0.02 . 2 . . . . A 24 ILE HG13 . 31111 1
237 . 1 . 1 25 25 ILE HG21 H 1 0.88 0.02 . 1 . . . . A 24 ILE HG21 . 31111 1
238 . 1 . 1 25 25 ILE HG22 H 1 0.88 0.02 . 1 . . . . A 24 ILE HG22 . 31111 1
239 . 1 . 1 25 25 ILE HG23 H 1 0.88 0.02 . 1 . . . . A 24 ILE HG23 . 31111 1
240 . 1 . 1 25 25 ILE HD11 H 1 0.77 0.02 . 1 . . . . A 24 ILE HD11 . 31111 1
241 . 1 . 1 25 25 ILE HD12 H 1 0.77 0.02 . 1 . . . . A 24 ILE HD12 . 31111 1
242 . 1 . 1 25 25 ILE HD13 H 1 0.77 0.02 . 1 . . . . A 24 ILE HD13 . 31111 1
243 . 1 . 1 25 25 ILE CA C 13 58.4 0.2 . 1 . . . . A 24 ILE CA . 31111 1
244 . 1 . 1 25 25 ILE CB C 13 38.0 0.2 . 1 . . . . A 24 ILE CB . 31111 1
245 . 1 . 1 25 25 ILE CG1 C 13 26.5 0.2 . 1 . . . . A 24 ILE CG1 . 31111 1
246 . 1 . 1 25 25 ILE CG2 C 13 16.7 0.2 . 1 . . . . A 24 ILE CG2 . 31111 1
247 . 1 . 1 25 25 ILE CD1 C 13 10.9 0.2 . 1 . . . . A 24 ILE CD1 . 31111 1
248 . 1 . 1 25 25 ILE N N 15 131.8 0.2 . 1 . . . . A 24 ILE N . 31111 1
249 . 1 . 1 26 26 ASN H H 1 9.38 0.02 . 1 . . . . A 25 ASN H . 31111 1
250 . 1 . 1 26 26 ASN HA H 1 4.39 0.02 . 1 . . . . A 25 ASN HA . 31111 1
251 . 1 . 1 26 26 ASN HB2 H 1 2.84 0.02 . 2 . . . . A 25 ASN HB2 . 31111 1
252 . 1 . 1 26 26 ASN HB3 H 1 3.16 0.02 . 2 . . . . A 25 ASN HB3 . 31111 1
253 . 1 . 1 26 26 ASN HD21 H 1 7.66 0.02 . 2 . . . . A 25 ASN HD21 . 31111 1
254 . 1 . 1 26 26 ASN HD22 H 1 6.96 0.02 . 2 . . . . A 25 ASN HD22 . 31111 1
255 . 1 . 1 26 26 ASN CA C 13 54.3 0.2 . 1 . . . . A 25 ASN CA . 31111 1
256 . 1 . 1 26 26 ASN CB C 13 37.5 0.2 . 1 . . . . A 25 ASN CB . 31111 1
257 . 1 . 1 26 26 ASN N N 15 126.2 0.2 . 1 . . . . A 25 ASN N . 31111 1
258 . 1 . 1 26 26 ASN ND2 N 15 112.2 0.2 . 1 . . . . A 25 ASN ND2 . 31111 1
259 . 1 . 1 27 27 GLY H H 1 8.00 0.02 . 1 . . . . A 26 GLY H . 31111 1
260 . 1 . 1 27 27 GLY HA2 H 1 3.66 0.02 . 2 . . . . A 26 GLY HA2 . 31111 1
261 . 1 . 1 27 27 GLY HA3 H 1 3.88 0.02 . 2 . . . . A 26 GLY HA3 . 31111 1
262 . 1 . 1 27 27 GLY CA C 13 45.3 0.2 . 1 . . . . A 26 GLY CA . 31111 1
263 . 1 . 1 27 27 GLY N N 15 101.5 0.2 . 1 . . . . A 26 GLY N . 31111 1
264 . 1 . 1 28 28 PHE H H 1 7.68 0.02 . 1 . . . . A 27 PHE H . 31111 1
265 . 1 . 1 28 28 PHE HA H 1 5.11 0.02 . 1 . . . . A 27 PHE HA . 31111 1
266 . 1 . 1 28 28 PHE HB2 H 1 2.61 0.02 . 2 . . . . A 27 PHE HB2 . 31111 1
267 . 1 . 1 28 28 PHE HB3 H 1 3.16 0.02 . 2 . . . . A 27 PHE HB3 . 31111 1
268 . 1 . 1 28 28 PHE HD1 H 1 7.14 0.02 . 3 . . . . A 27 PHE HD1 . 31111 1
269 . 1 . 1 28 28 PHE HD2 H 1 7.14 0.02 . 3 . . . . A 27 PHE HD2 . 31111 1
270 . 1 . 1 28 28 PHE HE1 H 1 7.33 0.02 . 3 . . . . A 27 PHE HE1 . 31111 1
271 . 1 . 1 28 28 PHE HE2 H 1 7.33 0.02 . 3 . . . . A 27 PHE HE2 . 31111 1
272 . 1 . 1 28 28 PHE CA C 13 57.4 0.2 . 1 . . . . A 27 PHE CA . 31111 1
273 . 1 . 1 28 28 PHE CB C 13 43.1 0.2 . 1 . . . . A 27 PHE CB . 31111 1
274 . 1 . 1 28 28 PHE N N 15 118.0 0.2 . 1 . . . . A 27 PHE N . 31111 1
275 . 1 . 1 29 29 CYS H H 1 8.63 0.02 . 1 . . . . A 28 CYS H . 31111 1
276 . 1 . 1 29 29 CYS HA H 1 4.87 0.02 . 1 . . . . A 28 CYS HA . 31111 1
277 . 1 . 1 29 29 CYS HB2 H 1 1.49 0.02 . 2 . . . . A 28 CYS HB2 . 31111 1
278 . 1 . 1 29 29 CYS HB3 H 1 1.69 0.02 . 2 . . . . A 28 CYS HB3 . 31111 1
279 . 1 . 1 29 29 CYS CA C 13 57.7 0.2 . 1 . . . . A 28 CYS CA . 31111 1
280 . 1 . 1 29 29 CYS CB C 13 37.2 0.2 . 1 . . . . A 28 CYS CB . 31111 1
281 . 1 . 1 29 29 CYS N N 15 119.6 0.2 . 1 . . . . A 28 CYS N . 31111 1
282 . 1 . 1 30 30 LYS H H 1 9.42 0.02 . 1 . . . . A 29 LYS H . 31111 1
283 . 1 . 1 30 30 LYS HA H 1 4.55 0.02 . 1 . . . . A 29 LYS HA . 31111 1
284 . 1 . 1 30 30 LYS HB2 H 1 1.72 0.02 . 2 . . . . A 29 LYS HB2 . 31111 1
285 . 1 . 1 30 30 LYS HB3 H 1 1.72 0.02 . 2 . . . . A 29 LYS HB3 . 31111 1
286 . 1 . 1 30 30 LYS HG2 H 1 1.28 0.02 . 2 . . . . A 29 LYS HG2 . 31111 1
287 . 1 . 1 30 30 LYS HG3 H 1 1.49 0.02 . 2 . . . . A 29 LYS HG3 . 31111 1
288 . 1 . 1 30 30 LYS CB C 13 37.2 0.2 . 1 . . . . A 29 LYS CB . 31111 1
289 . 1 . 1 30 30 LYS N N 15 123.4 0.2 . 1 . . . . A 29 LYS N . 31111 1
290 . 1 . 1 31 31 CYS H H 1 8.91 0.02 . 1 . . . . A 30 CYS H . 31111 1
291 . 1 . 1 31 31 CYS HA H 1 5.24 0.02 . 1 . . . . A 30 CYS HA . 31111 1
292 . 1 . 1 31 31 CYS HB2 H 1 2.74 0.02 . 2 . . . . A 30 CYS HB2 . 31111 1
293 . 1 . 1 31 31 CYS HB3 H 1 2.96 0.02 . 2 . . . . A 30 CYS HB3 . 31111 1
294 . 1 . 1 31 31 CYS CA C 13 54.5 0.2 . 1 . . . . A 30 CYS CA . 31111 1
295 . 1 . 1 31 31 CYS CB C 13 39.5 0.2 . 1 . . . . A 30 CYS CB . 31111 1
296 . 1 . 1 31 31 CYS N N 15 122.3 0.2 . 1 . . . . A 30 CYS N . 31111 1
297 . 1 . 1 32 32 VAL H H 1 9.47 0.02 . 1 . . . . A 31 VAL H . 31111 1
298 . 1 . 1 32 32 VAL HA H 1 4.73 0.02 . 1 . . . . A 31 VAL HA . 31111 1
299 . 1 . 1 32 32 VAL HB H 1 2.29 0.02 . 1 . . . . A 31 VAL HB . 31111 1
300 . 1 . 1 32 32 VAL HG11 H 1 0.88 0.02 . 2 . . . . A 31 VAL HG11 . 31111 1
301 . 1 . 1 32 32 VAL HG12 H 1 0.88 0.02 . 2 . . . . A 31 VAL HG12 . 31111 1
302 . 1 . 1 32 32 VAL HG13 H 1 0.88 0.02 . 2 . . . . A 31 VAL HG13 . 31111 1
303 . 1 . 1 32 32 VAL HG21 H 1 0.88 0.02 . 2 . . . . A 31 VAL HG21 . 31111 1
304 . 1 . 1 32 32 VAL HG22 H 1 0.88 0.02 . 2 . . . . A 31 VAL HG22 . 31111 1
305 . 1 . 1 32 32 VAL HG23 H 1 0.88 0.02 . 2 . . . . A 31 VAL HG23 . 31111 1
306 . 1 . 1 32 32 VAL CA C 13 59.9 0.2 . 1 . . . . A 31 VAL CA . 31111 1
307 . 1 . 1 32 32 VAL CB C 13 36.0 0.2 . 1 . . . . A 31 VAL CB . 31111 1
308 . 1 . 1 32 32 VAL CG1 C 13 21.9 0.2 . 2 . . . . A 31 VAL CG1 . 31111 1
309 . 1 . 1 32 32 VAL CG2 C 13 19.3 0.2 . 2 . . . . A 31 VAL CG2 . 31111 1
310 . 1 . 1 32 32 VAL N N 15 121.8 0.2 . 1 . . . . A 31 VAL N . 31111 1
311 . 1 . 1 33 33 ARG H H 1 8.15 0.02 . 1 . . . . A 32 ARG H . 31111 1
312 . 1 . 1 33 33 ARG HA H 1 4.25 0.02 . 1 . . . . A 32 ARG HA . 31111 1
313 . 1 . 1 33 33 ARG HB2 H 1 1.70 0.02 . 2 . . . . A 32 ARG HB2 . 31111 1
314 . 1 . 1 33 33 ARG HB3 H 1 1.81 0.02 . 2 . . . . A 32 ARG HB3 . 31111 1
315 . 1 . 1 33 33 ARG HG2 H 1 1.62 0.02 . 2 . . . . A 32 ARG HG2 . 31111 1
316 . 1 . 1 33 33 ARG HG3 H 1 1.69 0.02 . 2 . . . . A 32 ARG HG3 . 31111 1
317 . 1 . 1 33 33 ARG HD2 H 1 3.24 0.02 . 2 . . . . A 32 ARG HD2 . 31111 1
318 . 1 . 1 33 33 ARG HD3 H 1 3.24 0.02 . 2 . . . . A 32 ARG HD3 . 31111 1
319 . 1 . 1 33 33 ARG CA C 13 57.8 0.2 . 1 . . . . A 32 ARG CA . 31111 1
320 . 1 . 1 33 33 ARG CG C 13 27.9 0.2 . 1 . . . . A 32 ARG CG . 31111 1
321 . 1 . 1 33 33 ARG N N 15 124.7 0.2 . 1 . . . . A 32 ARG N . 31111 1
stop_
save_