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 21098
_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 0.02
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_Assigned_chem_shift_list.Chem_shift_15N_err 0.1
_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
2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 21098 1
3 '2D 1H-15N HSQC' 1 $sample_1 isotropic 21098 1
4 '2D 1H-13C HSQC' 1 $sample_1 isotropic 21098 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 $CCPNMR . . 21098 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 THR HA H 1 4.07 0.02 . 1 . . . . . 1 THR HA . 21098 1
2 . 1 . 1 1 1 THR HB H 1 4.29 0.02 . 1 . . . . . 1 THR HB . 21098 1
3 . 1 . 1 1 1 THR HG21 H 1 1.41 0.02 . 1 . . . . . 1 THR MG . 21098 1
4 . 1 . 1 1 1 THR HG22 H 1 1.41 0.02 . 1 . . . . . 1 THR MG . 21098 1
5 . 1 . 1 1 1 THR HG23 H 1 1.41 0.02 . 1 . . . . . 1 THR MG . 21098 1
6 . 1 . 1 1 1 THR CA C 13 60.12 0.1 . 1 . . . . . 1 THR CA . 21098 1
7 . 1 . 1 1 1 THR CB C 13 69.65 0.1 . 1 . . . . . 1 THR CB . 21098 1
8 . 1 . 1 1 1 THR CG2 C 13 20.93 0.1 . 1 . . . . . 1 THR CG2 . 21098 1
9 . 1 . 1 2 2 ILE H H 1 8.52 0.02 . 1 . . . . . 2 ILE H . 21098 1
10 . 1 . 1 2 2 ILE HA H 1 4.34 0.02 . 1 . . . . . 2 ILE HA . 21098 1
11 . 1 . 1 2 2 ILE HB H 1 1.84 0.02 . 1 . . . . . 2 ILE HB . 21098 1
12 . 1 . 1 2 2 ILE HD11 H 1 0.87 0.02 . 1 . . . . . 2 ILE MD . 21098 1
13 . 1 . 1 2 2 ILE HD12 H 1 0.87 0.02 . 1 . . . . . 2 ILE MD . 21098 1
14 . 1 . 1 2 2 ILE HD13 H 1 0.87 0.02 . 1 . . . . . 2 ILE MD . 21098 1
15 . 1 . 1 2 2 ILE HG12 H 1 1.15 0.02 . 2 . . . . . 2 ILE HG12 . 21098 1
16 . 1 . 1 2 2 ILE HG13 H 1 1.42 0.02 . 2 . . . . . 2 ILE HG13 . 21098 1
17 . 1 . 1 2 2 ILE HG21 H 1 0.90 0.02 . 1 . . . . . 2 ILE MG . 21098 1
18 . 1 . 1 2 2 ILE HG22 H 1 0.90 0.02 . 1 . . . . . 2 ILE MG . 21098 1
19 . 1 . 1 2 2 ILE HG23 H 1 0.90 0.02 . 1 . . . . . 2 ILE MG . 21098 1
20 . 1 . 1 2 2 ILE CA C 13 60.59 0.1 . 1 . . . . . 2 ILE CA . 21098 1
21 . 1 . 1 2 2 ILE CB C 13 39.96 0.1 . 1 . . . . . 2 ILE CB . 21098 1
22 . 1 . 1 2 2 ILE CD1 C 13 13.12 0.1 . 1 . . . . . 2 ILE CD1 . 21098 1
23 . 1 . 1 2 2 ILE CG1 C 13 26.99 0.1 . 1 . . . . . 2 ILE CG1 . 21098 1
24 . 1 . 1 2 2 ILE CG2 C 13 17.29 0.1 . 1 . . . . . 2 ILE CG2 . 21098 1
25 . 1 . 1 2 2 ILE N N 15 121.18 0.1 . 1 . . . . . 2 ILE N . 21098 1
26 . 1 . 1 3 3 ILE H H 1 8.29 0.02 . 1 . . . . . 3 ILE H . 21098 1
27 . 1 . 1 3 3 ILE HA H 1 4.12 0.02 . 1 . . . . . 3 ILE HA . 21098 1
28 . 1 . 1 3 3 ILE HB H 1 1.80 0.02 . 1 . . . . . 3 ILE HB . 21098 1
29 . 1 . 1 3 3 ILE HD11 H 1 0.87 0.02 . 1 . . . . . 3 ILE MD . 21098 1
30 . 1 . 1 3 3 ILE HD12 H 1 0.87 0.02 . 1 . . . . . 3 ILE MD . 21098 1
31 . 1 . 1 3 3 ILE HD13 H 1 0.87 0.02 . 1 . . . . . 3 ILE MD . 21098 1
32 . 1 . 1 3 3 ILE HG12 H 1 1.15 0.02 . 2 . . . . . 3 ILE HG12 . 21098 1
33 . 1 . 1 3 3 ILE HG13 H 1 1.47 0.02 . 2 . . . . . 3 ILE HG13 . 21098 1
34 . 1 . 1 3 3 ILE HG21 H 1 0.88 0.02 . 1 . . . . . 3 ILE MG . 21098 1
35 . 1 . 1 3 3 ILE HG22 H 1 0.88 0.02 . 1 . . . . . 3 ILE MG . 21098 1
36 . 1 . 1 3 3 ILE HG23 H 1 0.88 0.02 . 1 . . . . . 3 ILE MG . 21098 1
37 . 1 . 1 3 3 ILE CA C 13 61.01 0.1 . 1 . . . . . 3 ILE CA . 21098 1
38 . 1 . 1 3 3 ILE CB C 13 38.95 0.1 . 1 . . . . . 3 ILE CB . 21098 1
39 . 1 . 1 3 3 ILE CD1 C 13 13.08 0.1 . 1 . . . . . 3 ILE CD1 . 21098 1
40 . 1 . 1 3 3 ILE CG1 C 13 27.58 0.1 . 1 . . . . . 3 ILE CG1 . 21098 1
41 . 1 . 1 3 3 ILE CG2 C 13 17.29 0.1 . 1 . . . . . 3 ILE CG2 . 21098 1
42 . 1 . 1 3 3 ILE N N 15 124.08 0.1 . 1 . . . . . 3 ILE N . 21098 1
43 . 1 . 1 4 4 ASN H H 1 8.53 0.02 . 1 . . . . . 4 ASN H . 21098 1
44 . 1 . 1 4 4 ASN HA H 1 4.68 0.02 . 1 . . . . . 4 ASN HA . 21098 1
45 . 1 . 1 4 4 ASN HB2 H 1 2.76 0.02 . 2 . . . . . 4 ASN HB2 . 21098 1
46 . 1 . 1 4 4 ASN HB3 H 1 2.71 0.02 . 2 . . . . . 4 ASN HB3 . 21098 1
47 . 1 . 1 4 4 ASN HD21 H 1 6.86 0.02 . 2 . . . . . 4 ASN HD21 . 21098 1
48 . 1 . 1 4 4 ASN HD22 H 1 7.58 0.02 . 2 . . . . . 4 ASN HD22 . 21098 1
49 . 1 . 1 4 4 ASN CA C 13 53.05 0.1 . 1 . . . . . 4 ASN CA . 21098 1
50 . 1 . 1 4 4 ASN CB C 13 39.04 0.1 . 1 . . . . . 4 ASN CB . 21098 1
51 . 1 . 1 4 4 ASN N N 15 123.86 0.1 . 1 . . . . . 4 ASN N . 21098 1
52 . 1 . 1 4 4 ASN ND2 N 15 112.76 0.1 . 1 . . . . . 4 ASN ND2 . 21098 1
53 . 1 . 1 5 5 ALA H H 1 8.23 0.02 . 1 . . . . . 5 ALA H . 21098 1
54 . 1 . 1 5 5 ALA HA H 1 4.57 0.02 . 1 . . . . . 5 ALA HA . 21098 1
55 . 1 . 1 5 5 ALA HB1 H 1 1.34 0.02 . 1 . . . . . 5 ALA MB . 21098 1
56 . 1 . 1 5 5 ALA HB2 H 1 1.34 0.02 . 1 . . . . . 5 ALA MB . 21098 1
57 . 1 . 1 5 5 ALA HB3 H 1 1.34 0.02 . 1 . . . . . 5 ALA MB . 21098 1
58 . 1 . 1 5 5 ALA CA C 13 50.62 0.1 . 1 . . . . . 5 ALA CA . 21098 1
59 . 1 . 1 5 5 ALA CB C 13 18.41 0.1 . 1 . . . . . 5 ALA CB . 21098 1
60 . 1 . 1 5 5 ALA N N 15 125.86 0.1 . 1 . . . . . 5 ALA N . 21098 1
61 . 1 . 1 6 6 PRO HA H 1 4.40 0.02 . 1 . . . . . 6 PRO HA . 21098 1
62 . 1 . 1 6 6 PRO HB2 H 1 2.27 0.02 . 2 . . . . . 6 PRO HB2 . 21098 1
63 . 1 . 1 6 6 PRO HB3 H 1 1.87 0.02 . 2 . . . . . 6 PRO HB3 . 21098 1
64 . 1 . 1 6 6 PRO HD2 H 1 3.76 0.02 . 2 . . . . . 6 PRO HD2 . 21098 1
65 . 1 . 1 6 6 PRO HD3 H 1 3.63 0.02 . 2 . . . . . 6 PRO HD3 . 21098 1
66 . 1 . 1 6 6 PRO HG2 H 1 2.01 0.02 . 2 . . . . . 6 PRO HG2 . 21098 1
67 . 1 . 1 6 6 PRO HG3 H 1 2.01 0.02 . 2 . . . . . 6 PRO HG3 . 21098 1
68 . 1 . 1 6 6 PRO CA C 13 63.22 0.1 . 1 . . . . . 6 PRO CA . 21098 1
69 . 1 . 1 6 6 PRO CB C 13 32.05 0.1 . 1 . . . . . 6 PRO CB . 21098 1
70 . 1 . 1 6 6 PRO CD C 13 50.50 0.1 . 1 . . . . . 6 PRO CD . 21098 1
71 . 1 . 1 6 6 PRO CG C 13 27.38 0.1 . 1 . . . . . 6 PRO CG . 21098 1
72 . 1 . 1 7 7 ASN H H 1 8.45 0.02 . 1 . . . . . 7 ASN H . 21098 1
73 . 1 . 1 7 7 ASN HA H 1 4.63 0.02 . 1 . . . . . 7 ASN HA . 21098 1
74 . 1 . 1 7 7 ASN HB2 H 1 2.78 0.02 . 2 . . . . . 7 ASN HB2 . 21098 1
75 . 1 . 1 7 7 ASN HB3 H 1 2.82 0.02 . 2 . . . . . 7 ASN HB3 . 21098 1
76 . 1 . 1 7 7 ASN HD21 H 1 6.91 0.02 . 2 . . . . . 7 ASN HD21 . 21098 1
77 . 1 . 1 7 7 ASN HD22 H 1 7.58 0.02 . 2 . . . . . 7 ASN HD22 . 21098 1
78 . 1 . 1 7 7 ASN CA C 13 53.34 0.1 . 1 . . . . . 7 ASN CA . 21098 1
79 . 1 . 1 7 7 ASN CB C 13 38.82 0.1 . 1 . . . . . 7 ASN CB . 21098 1
80 . 1 . 1 7 7 ASN N N 15 118.23 0.1 . 1 . . . . . 7 ASN N . 21098 1
81 . 1 . 1 7 7 ASN ND2 N 15 112.74 0.1 . 1 . . . . . 7 ASN ND2 . 21098 1
82 . 1 . 1 8 8 ARG H H 1 8.18 0.02 . 1 . . . . . 8 ARG H . 21098 1
83 . 1 . 1 8 8 ARG HA H 1 4.34 0.02 . 1 . . . . . 8 ARG HA . 21098 1
84 . 1 . 1 8 8 ARG HB2 H 1 1.74 0.02 . 2 . . . . . 8 ARG HB2 . 21098 1
85 . 1 . 1 8 8 ARG HB3 H 1 1.84 0.02 . 2 . . . . . 8 ARG HB3 . 21098 1
86 . 1 . 1 8 8 ARG HD2 H 1 3.17 0.02 . 2 . . . . . 8 ARG HD2 . 21098 1
87 . 1 . 1 8 8 ARG HD3 H 1 3.17 0.02 . 2 . . . . . 8 ARG HD3 . 21098 1
88 . 1 . 1 8 8 ARG HE H 1 7.17 0.02 . 1 . . . . . 8 ARG HE . 21098 1
89 . 1 . 1 8 8 ARG HG2 H 1 1.59 0.02 . 2 . . . . . 8 ARG HG2 . 21098 1
90 . 1 . 1 8 8 ARG HG3 H 1 1.59 0.02 . 2 . . . . . 8 ARG HG3 . 21098 1
91 . 1 . 1 8 8 ARG CA C 13 56.00 0.1 . 1 . . . . . 8 ARG CA . 21098 1
92 . 1 . 1 8 8 ARG CB C 13 30.89 0.1 . 1 . . . . . 8 ARG CB . 21098 1
93 . 1 . 1 8 8 ARG CD C 13 43.36 0.1 . 1 . . . . . 8 ARG CD . 21098 1
94 . 1 . 1 8 8 ARG CG C 13 26.92 0.1 . 1 . . . . . 8 ARG CG . 21098 1
95 . 1 . 1 8 8 ARG N N 15 120.86 0.1 . 1 . . . . . 8 ARG N . 21098 1
96 . 1 . 1 8 8 ARG NE N 15 84.93 0.1 . 1 . . . . . 8 ARG NE . 21098 1
97 . 1 . 1 9 9 CYS H H 1 8.42 0.02 . 1 . . . . . 9 CYS H . 21098 1
98 . 1 . 1 9 9 CYS HA H 1 5.12 0.02 . 1 . . . . . 9 CYS HA . 21098 1
99 . 1 . 1 9 9 CYS HB2 H 1 2.85 0.02 . 2 . . . . . 9 CYS HB2 . 21098 1
100 . 1 . 1 9 9 CYS HB3 H 1 2.60 0.02 . 2 . . . . . 9 CYS HB3 . 21098 1
101 . 1 . 1 9 9 CYS CA C 13 51.84 0.1 . 1 . . . . . 9 CYS CA . 21098 1
102 . 1 . 1 9 9 CYS CB C 13 38.12 0.1 . 1 . . . . . 9 CYS CB . 21098 1
103 . 1 . 1 9 9 CYS N N 15 119.36 0.1 . 1 . . . . . 9 CYS N . 21098 1
104 . 1 . 1 10 10 PRO HA H 1 4.67 0.02 . 1 . . . . . 10 PRO HA . 21098 1
105 . 1 . 1 10 10 PRO HB2 H 1 2.34 0.02 . 2 . . . . . 10 PRO HB2 . 21098 1
106 . 1 . 1 10 10 PRO HB3 H 1 1.35 0.02 . 2 . . . . . 10 PRO HB3 . 21098 1
107 . 1 . 1 10 10 PRO HD2 H 1 2.79 0.02 . 2 . . . . . 10 PRO HD2 . 21098 1
108 . 1 . 1 10 10 PRO HD3 H 1 3.78 0.02 . 2 . . . . . 10 PRO HD3 . 21098 1
109 . 1 . 1 10 10 PRO HG2 H 1 1.75 0.02 . 2 . . . . . 10 PRO HG2 . 21098 1
110 . 1 . 1 10 10 PRO HG3 H 1 1.29 0.02 . 2 . . . . . 10 PRO HG3 . 21098 1
111 . 1 . 1 10 10 PRO CA C 13 61.90 0.1 . 1 . . . . . 10 PRO CA . 21098 1
112 . 1 . 1 10 10 PRO CB C 13 30.11 0.1 . 1 . . . . . 10 PRO CB . 21098 1
113 . 1 . 1 10 10 PRO CD C 13 50.52 0.1 . 1 . . . . . 10 PRO CD . 21098 1
114 . 1 . 1 10 10 PRO CG C 13 27.10 0.1 . 1 . . . . . 10 PRO CG . 21098 1
115 . 1 . 1 11 11 PRO HA H 1 4.44 0.02 . 1 . . . . . 11 PRO HA . 21098 1
116 . 1 . 1 11 11 PRO HB2 H 1 2.38 0.02 . 2 . . . . . 11 PRO HB2 . 21098 1
117 . 1 . 1 11 11 PRO HB3 H 1 1.89 0.02 . 2 . . . . . 11 PRO HB3 . 21098 1
118 . 1 . 1 11 11 PRO HD2 H 1 3.83 0.02 . 2 . . . . . 11 PRO HD2 . 21098 1
119 . 1 . 1 11 11 PRO HD3 H 1 3.55 0.02 . 2 . . . . . 11 PRO HD3 . 21098 1
120 . 1 . 1 11 11 PRO HG2 H 1 2.04 0.02 . 2 . . . . . 11 PRO HG2 . 21098 1
121 . 1 . 1 11 11 PRO HG3 H 1 2.14 0.02 . 2 . . . . . 11 PRO HG3 . 21098 1
122 . 1 . 1 11 11 PRO CA C 13 63.88 0.1 . 1 . . . . . 11 PRO CA . 21098 1
123 . 1 . 1 11 11 PRO CB C 13 31.80 0.1 . 1 . . . . . 11 PRO CB . 21098 1
124 . 1 . 1 11 11 PRO CD C 13 50.41 0.1 . 1 . . . . . 11 PRO CD . 21098 1
125 . 1 . 1 11 11 PRO CG C 13 27.88 0.1 . 1 . . . . . 11 PRO CG . 21098 1
126 . 1 . 1 12 12 GLY H H 1 9.17 0.02 . 1 . . . . . 12 GLY H . 21098 1
127 . 1 . 1 12 12 GLY HA2 H 1 4.24 0.02 . 2 . . . . . 12 GLY HA2 . 21098 1
128 . 1 . 1 12 12 GLY HA3 H 1 3.80 0.02 . 2 . . . . . 12 GLY HA3 . 21098 1
129 . 1 . 1 12 12 GLY CA C 13 45.76 0.1 . 1 . . . . . 12 GLY CA . 21098 1
130 . 1 . 1 13 13 HIS H H 1 8.00 0.02 . 1 . . . . . 13 HIS H . 21098 1
131 . 1 . 1 13 13 HIS HA H 1 5.18 0.02 . 1 . . . . . 13 HIS HA . 21098 1
132 . 1 . 1 13 13 HIS HB2 H 1 3.29 0.02 . 2 . . . . . 13 HIS HB2 . 21098 1
133 . 1 . 1 13 13 HIS HB3 H 1 2.84 0.02 . 2 . . . . . 13 HIS HB3 . 21098 1
134 . 1 . 1 13 13 HIS HD2 H 1 6.57 0.02 . 1 . . . . . 13 HIS HD2 . 21098 1
135 . 1 . 1 13 13 HIS HE1 H 1 8.44 0.02 . 1 . . . . . 13 HIS HE1 . 21098 1
136 . 1 . 1 13 13 HIS CA C 13 55.11 0.1 . 1 . . . . . 13 HIS CA . 21098 1
137 . 1 . 1 13 13 HIS CB C 13 32.22 0.1 . 1 . . . . . 13 HIS CB . 21098 1
138 . 1 . 1 13 13 HIS N N 15 117.77 0.1 . 1 . . . . . 13 HIS N . 21098 1
139 . 1 . 1 14 14 VAL H H 1 9.27 0.02 . 1 . . . . . 14 VAL H . 21098 1
140 . 1 . 1 14 14 VAL HA H 1 4.60 0.02 . 1 . . . . . 14 VAL HA . 21098 1
141 . 1 . 1 14 14 VAL HB H 1 2.12 0.02 . 1 . . . . . 14 VAL HB . 21098 1
142 . 1 . 1 14 14 VAL HG11 H 1 0.88 0.02 . 1 . . . . . 14 VAL MG1 . 21098 1
143 . 1 . 1 14 14 VAL HG12 H 1 0.88 0.02 . 1 . . . . . 14 VAL MG1 . 21098 1
144 . 1 . 1 14 14 VAL HG13 H 1 0.88 0.02 . 1 . . . . . 14 VAL MG1 . 21098 1
145 . 1 . 1 14 14 VAL HG21 H 1 0.78 0.02 . 1 . . . . . 14 VAL MG2 . 21098 1
146 . 1 . 1 14 14 VAL HG22 H 1 0.78 0.02 . 1 . . . . . 14 VAL MG2 . 21098 1
147 . 1 . 1 14 14 VAL HG23 H 1 0.78 0.02 . 1 . . . . . 14 VAL MG2 . 21098 1
148 . 1 . 1 14 14 VAL CA C 13 59.73 0.1 . 1 . . . . . 14 VAL CA . 21098 1
149 . 1 . 1 14 14 VAL CB C 13 35.40 0.1 . 1 . . . . . 14 VAL CB . 21098 1
150 . 1 . 1 14 14 VAL CG1 C 13 21.64 0.1 . 1 . . . . . 14 VAL CG1 . 21098 1
151 . 1 . 1 14 14 VAL CG2 C 13 18.80 0.1 . 1 . . . . . 14 VAL CG2 . 21098 1
152 . 1 . 1 14 14 VAL N N 15 116.59 0.1 . 1 . . . . . 14 VAL N . 21098 1
153 . 1 . 1 15 15 VAL H H 1 8.45 0.02 . 1 . . . . . 15 VAL H . 21098 1
154 . 1 . 1 15 15 VAL HA H 1 4.28 0.02 . 1 . . . . . 15 VAL HA . 21098 1
155 . 1 . 1 15 15 VAL HB H 1 1.95 0.02 . 1 . . . . . 15 VAL HB . 21098 1
156 . 1 . 1 15 15 VAL HG11 H 1 0.77 0.02 . 1 . . . . . 15 VAL MG1 . 21098 1
157 . 1 . 1 15 15 VAL HG12 H 1 0.77 0.02 . 1 . . . . . 15 VAL MG1 . 21098 1
158 . 1 . 1 15 15 VAL HG13 H 1 0.77 0.02 . 1 . . . . . 15 VAL MG1 . 21098 1
159 . 1 . 1 15 15 VAL HG21 H 1 0.91 0.02 . 1 . . . . . 15 VAL MG2 . 21098 1
160 . 1 . 1 15 15 VAL HG22 H 1 0.91 0.02 . 1 . . . . . 15 VAL MG2 . 21098 1
161 . 1 . 1 15 15 VAL HG23 H 1 0.91 0.02 . 1 . . . . . 15 VAL MG2 . 21098 1
162 . 1 . 1 15 15 VAL CA C 13 62.90 0.1 . 1 . . . . . 15 VAL CA . 21098 1
163 . 1 . 1 15 15 VAL CB C 13 31.69 0.1 . 1 . . . . . 15 VAL CB . 21098 1
164 . 1 . 1 15 15 VAL CG1 C 13 22.57 0.1 . 1 . . . . . 15 VAL CG1 . 21098 1
165 . 1 . 1 15 15 VAL CG2 C 13 21.35 0.1 . 1 . . . . . 15 VAL CG2 . 21098 1
166 . 1 . 1 15 15 VAL N N 15 122.61 0.1 . 1 . . . . . 15 VAL N . 21098 1
167 . 1 . 1 16 16 VAL H H 1 9.03 0.02 . 1 . . . . . 16 VAL H . 21098 1
168 . 1 . 1 16 16 VAL HA H 1 4.19 0.02 . 1 . . . . . 16 VAL HA . 21098 1
169 . 1 . 1 16 16 VAL HB H 1 1.85 0.02 . 1 . . . . . 16 VAL HB . 21098 1
170 . 1 . 1 16 16 VAL HG11 H 1 0.90 0.02 . 1 . . . . . 16 VAL MG1 . 21098 1
171 . 1 . 1 16 16 VAL HG12 H 1 0.90 0.02 . 1 . . . . . 16 VAL MG1 . 21098 1
172 . 1 . 1 16 16 VAL HG13 H 1 0.90 0.02 . 1 . . . . . 16 VAL MG1 . 21098 1
173 . 1 . 1 16 16 VAL HG21 H 1 0.92 0.02 . 1 . . . . . 16 VAL MG2 . 21098 1
174 . 1 . 1 16 16 VAL HG22 H 1 0.92 0.02 . 1 . . . . . 16 VAL MG2 . 21098 1
175 . 1 . 1 16 16 VAL HG23 H 1 0.92 0.02 . 1 . . . . . 16 VAL MG2 . 21098 1
176 . 1 . 1 16 16 VAL CA C 13 61.94 0.1 . 1 . . . . . 16 VAL CA . 21098 1
177 . 1 . 1 16 16 VAL CB C 13 34.63 0.1 . 1 . . . . . 16 VAL CB . 21098 1
178 . 1 . 1 16 16 VAL CG1 C 13 20.93 0.1 . 1 . . . . . 16 VAL CG1 . 21098 1
179 . 1 . 1 16 16 VAL CG2 C 13 21.01 0.1 . 1 . . . . . 16 VAL CG2 . 21098 1
180 . 1 . 1 16 16 VAL N N 15 129.21 0.1 . 1 . . . . . 16 VAL N . 21098 1
181 . 1 . 1 17 17 LYS H H 1 9.57 0.02 . 1 . . . . . 17 LYS H . 21098 1
182 . 1 . 1 17 17 LYS HA H 1 3.85 0.02 . 1 . . . . . 17 LYS HA . 21098 1
183 . 1 . 1 17 17 LYS HB2 H 1 1.79 0.02 . 2 . . . . . 17 LYS HB2 . 21098 1
184 . 1 . 1 17 17 LYS HB3 H 1 2.01 0.02 . 2 . . . . . 17 LYS HB3 . 21098 1
185 . 1 . 1 17 17 LYS HD2 H 1 1.68 0.02 . 2 . . . . . 17 LYS HD2 . 21098 1
186 . 1 . 1 17 17 LYS HD3 H 1 1.67 0.02 . 2 . . . . . 17 LYS HD3 . 21098 1
187 . 1 . 1 17 17 LYS HE2 H 1 3.00 0.02 . 2 . . . . . 17 LYS HE2 . 21098 1
188 . 1 . 1 17 17 LYS HE3 H 1 3.01 0.02 . 2 . . . . . 17 LYS HE3 . 21098 1
189 . 1 . 1 17 17 LYS HG2 H 1 1.45 0.02 . 2 . . . . . 17 LYS HG2 . 21098 1
190 . 1 . 1 17 17 LYS HG3 H 1 1.45 0.02 . 2 . . . . . 17 LYS HG3 . 21098 1
191 . 1 . 1 17 17 LYS CA C 13 57.25 0.1 . 1 . . . . . 17 LYS CA . 21098 1
192 . 1 . 1 17 17 LYS CB C 13 30.42 0.1 . 1 . . . . . 17 LYS CB . 21098 1
193 . 1 . 1 17 17 LYS CD C 13 26.70 0.1 . 1 . . . . . 17 LYS CD . 21098 1
194 . 1 . 1 17 17 LYS CE C 13 42.27 0.1 . 1 . . . . . 17 LYS CE . 21098 1
195 . 1 . 1 17 17 LYS CG C 13 25.45 0.1 . 1 . . . . . 17 LYS CG . 21098 1
196 . 1 . 1 17 17 LYS N N 15 128.44 0.1 . 1 . . . . . 17 LYS N . 21098 1
197 . 1 . 1 18 18 GLY H H 1 8.15 0.02 . 1 . . . . . 18 GLY H . 21098 1
198 . 1 . 1 18 18 GLY HA2 H 1 4.12 0.02 . 2 . . . . . 18 GLY HA2 . 21098 1
199 . 1 . 1 18 18 GLY HA3 H 1 3.54 0.02 . 2 . . . . . 18 GLY HA3 . 21098 1
200 . 1 . 1 18 18 GLY CA C 13 45.70 0.1 . 1 . . . . . 18 GLY CA . 21098 1
201 . 1 . 1 18 18 GLY N N 15 102.85 0.1 . 1 . . . . . 18 GLY N . 21098 1
202 . 1 . 1 19 19 ARG H H 1 7.77 0.02 . 1 . . . . . 19 ARG H . 21098 1
203 . 1 . 1 19 19 ARG HA H 1 4.77 0.02 . 1 . . . . . 19 ARG HA . 21098 1
204 . 1 . 1 19 19 ARG HB2 H 1 1.75 0.02 . 2 . . . . . 19 ARG HB2 . 21098 1
205 . 1 . 1 19 19 ARG HB3 H 1 1.86 0.02 . 2 . . . . . 19 ARG HB3 . 21098 1
206 . 1 . 1 19 19 ARG HD2 H 1 3.22 0.02 . 2 . . . . . 19 ARG HD2 . 21098 1
207 . 1 . 1 19 19 ARG HD3 H 1 3.22 0.02 . 2 . . . . . 19 ARG HD3 . 21098 1
208 . 1 . 1 19 19 ARG HE H 1 7.18 0.02 . 1 . . . . . 19 ARG HE . 21098 1
209 . 1 . 1 19 19 ARG HG2 H 1 1.65 0.02 . 2 . . . . . 19 ARG HG2 . 21098 1
210 . 1 . 1 19 19 ARG HG3 H 1 1.65 0.02 . 2 . . . . . 19 ARG HG3 . 21098 1
211 . 1 . 1 19 19 ARG CB C 13 33.25 0.1 . 1 . . . . . 19 ARG CB . 21098 1
212 . 1 . 1 19 19 ARG CD C 13 43.37 0.1 . 1 . . . . . 19 ARG CD . 21098 1
213 . 1 . 1 19 19 ARG CG C 13 26.86 0.1 . 1 . . . . . 19 ARG CG . 21098 1
214 . 1 . 1 19 19 ARG N N 15 119.37 0.1 . 1 . . . . . 19 ARG N . 21098 1
215 . 1 . 1 20 20 CYS H H 1 8.92 0.02 . 1 . . . . . 20 CYS H . 21098 1
216 . 1 . 1 20 20 CYS HA H 1 4.96 0.02 . 1 . . . . . 20 CYS HA . 21098 1
217 . 1 . 1 20 20 CYS HB2 H 1 2.71 0.02 . 2 . . . . . 20 CYS HB2 . 21098 1
218 . 1 . 1 20 20 CYS HB3 H 1 3.02 0.02 . 2 . . . . . 20 CYS HB3 . 21098 1
219 . 1 . 1 20 20 CYS CA C 13 55.88 0.1 . 1 . . . . . 20 CYS CA . 21098 1
220 . 1 . 1 20 20 CYS CB C 13 40.06 0.1 . 1 . . . . . 20 CYS CB . 21098 1
221 . 1 . 1 20 20 CYS N N 15 120.81 0.1 . 1 . . . . . 20 CYS N . 21098 1
222 . 1 . 1 21 21 ARG H H 1 9.63 0.02 . 1 . . . . . 21 ARG H . 21098 1
223 . 1 . 1 21 21 ARG HA H 1 4.80 0.02 . 1 . . . . . 21 ARG HA . 21098 1
224 . 1 . 1 21 21 ARG HB2 H 1 1.90 0.02 . 2 . . . . . 21 ARG HB2 . 21098 1
225 . 1 . 1 21 21 ARG HB3 H 1 1.69 0.02 . 2 . . . . . 21 ARG HB3 . 21098 1
226 . 1 . 1 21 21 ARG HD2 H 1 3.17 0.02 . 2 . . . . . 21 ARG HD2 . 21098 1
227 . 1 . 1 21 21 ARG HD3 H 1 3.17 0.02 . 2 . . . . . 21 ARG HD3 . 21098 1
228 . 1 . 1 21 21 ARG HE H 1 7.17 0.02 . 1 . . . . . 21 ARG HE . 21098 1
229 . 1 . 1 21 21 ARG HG2 H 1 1.69 0.02 . 2 . . . . . 21 ARG HG2 . 21098 1
230 . 1 . 1 21 21 ARG HG3 H 1 1.69 0.02 . 2 . . . . . 21 ARG HG3 . 21098 1
231 . 1 . 1 21 21 ARG CB C 13 33.82 0.1 . 1 . . . . . 21 ARG CB . 21098 1
232 . 1 . 1 21 21 ARG CD C 13 43.36 0.1 . 1 . . . . . 21 ARG CD . 21098 1
233 . 1 . 1 21 21 ARG CG C 13 29.30 0.1 . 1 . . . . . 21 ARG CG . 21098 1
234 . 1 . 1 21 21 ARG N N 15 125.65 0.1 . 1 . . . . . 21 ARG N . 21098 1
235 . 1 . 1 21 21 ARG NE N 15 84.93 0.1 . 1 . . . . . 21 ARG NE . 21098 1
236 . 1 . 1 22 22 ILE H H 1 8.44 0.02 . 1 . . . . . 22 ILE H . 21098 1
237 . 1 . 1 22 22 ILE HA H 1 3.52 0.02 . 1 . . . . . 22 ILE HA . 21098 1
238 . 1 . 1 22 22 ILE HB H 1 1.54 0.02 . 1 . . . . . 22 ILE HB . 21098 1
239 . 1 . 1 22 22 ILE HD11 H 1 0.71 0.02 . 1 . . . . . 22 ILE MD . 21098 1
240 . 1 . 1 22 22 ILE HD12 H 1 0.71 0.02 . 1 . . . . . 22 ILE MD . 21098 1
241 . 1 . 1 22 22 ILE HD13 H 1 0.71 0.02 . 1 . . . . . 22 ILE MD . 21098 1
242 . 1 . 1 22 22 ILE HG12 H 1 0.78 0.02 . 2 . . . . . 22 ILE HG12 . 21098 1
243 . 1 . 1 22 22 ILE HG13 H 1 0.87 0.02 . 2 . . . . . 22 ILE HG13 . 21098 1
244 . 1 . 1 22 22 ILE HG21 H 1 1.21 0.02 . 1 . . . . . 22 ILE MG . 21098 1
245 . 1 . 1 22 22 ILE HG22 H 1 1.21 0.02 . 1 . . . . . 22 ILE MG . 21098 1
246 . 1 . 1 22 22 ILE HG23 H 1 1.21 0.02 . 1 . . . . . 22 ILE MG . 21098 1
247 . 1 . 1 22 22 ILE CA C 13 62.09 0.1 . 1 . . . . . 22 ILE CA . 21098 1
248 . 1 . 1 22 22 ILE CB C 13 38.38 0.1 . 1 . . . . . 22 ILE CB . 21098 1
249 . 1 . 1 22 22 ILE CD1 C 13 13.06 0.1 . 1 . . . . . 22 ILE CD1 . 21098 1
250 . 1 . 1 22 22 ILE CG1 C 13 28.20 0.1 . 1 . . . . . 22 ILE CG1 . 21098 1
251 . 1 . 1 22 22 ILE CG2 C 13 17.16 0.1 . 1 . . . . . 22 ILE CG2 . 21098 1
252 . 1 . 1 22 22 ILE N N 15 123.33 0.1 . 1 . . . . . 22 ILE N . 21098 1
253 . 1 . 1 23 23 ALA H H 1 8.17 0.02 . 1 . . . . . 23 ALA H . 21098 1
254 . 1 . 1 23 23 ALA HA H 1 4.15 0.02 . 1 . . . . . 23 ALA HA . 21098 1
255 . 1 . 1 23 23 ALA HB1 H 1 1.27 0.02 . 1 . . . . . 23 ALA MB . 21098 1
256 . 1 . 1 23 23 ALA HB2 H 1 1.27 0.02 . 1 . . . . . 23 ALA MB . 21098 1
257 . 1 . 1 23 23 ALA HB3 H 1 1.27 0.02 . 1 . . . . . 23 ALA MB . 21098 1
258 . 1 . 1 23 23 ALA CA C 13 52.49 0.1 . 1 . . . . . 23 ALA CA . 21098 1
259 . 1 . 1 23 23 ALA CB C 13 19.61 0.1 . 1 . . . . . 23 ALA CB . 21098 1
260 . 1 . 1 23 23 ALA N N 15 129.53 0.1 . 1 . . . . . 23 ALA N . 21098 1
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