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 27611
_Assigned_chem_shift_list.ID 1
_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 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_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-1H TOCSY' . . . 27611 1
2 '2D 1H-1H NOESY' . . . 27611 1
stop_
loop_
_Systematic_chem_shift_offset.Type
_Systematic_chem_shift_offset.Atom_type
_Systematic_chem_shift_offset.Atom_isotope_number
_Systematic_chem_shift_offset.Val
_Systematic_chem_shift_offset.Val_err
_Systematic_chem_shift_offset.Entry_ID
_Systematic_chem_shift_offset.Assigned_chem_shift_list_ID
'spectrometer error' 'all 13C' 13 2.6 0.1 27611 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
1 $TOPSPIN . . 27611 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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 2 2 PHE H H 1 8.446 0.01 . 1 . . . . . 2 PHE H . 27611 1
2 . 1 1 2 2 PHE HA H 1 4.807 0.01 . 1 . . . . . 2 PHE HA . 27611 1
3 . 1 1 2 2 PHE HB2 H 1 3.091 0.01 . 2 . . . . . 2 PHE HB2 . 27611 1
4 . 1 1 2 2 PHE HB3 H 1 3.091 0.01 . 2 . . . . . 2 PHE HB3 . 27611 1
5 . 1 1 2 2 PHE CB C 13 39.849 0.1 . 1 . . . . . 2 PHE CB . 27611 1
6 . 1 1 3 3 TRP H H 1 8.083 0.01 . 1 . . . . . 3 TRP H . 27611 1
7 . 1 1 3 3 TRP HA H 1 4.582 0.01 . 1 . . . . . 3 TRP HA . 27611 1
8 . 1 1 3 3 TRP HB2 H 1 3.208 0.01 . 2 . . . . . 3 TRP HB2 . 27611 1
9 . 1 1 3 3 TRP HB3 H 1 3.147 0.01 . 2 . . . . . 3 TRP HB3 . 27611 1
10 . 1 1 3 3 TRP HE1 H 1 10.053 0.01 . 1 . . . . . 3 TRP HE1 . 27611 1
11 . 1 1 3 3 TRP CB C 13 27.004 0.1 . 1 . . . . . 3 TRP CB . 27611 1
12 . 1 1 3 3 TRP CD1 C 13 124.700 0.1 . 1 . . . . . 3 TRP CD1 . 27611 1
13 . 1 1 4 4 SER H H 1 7.803 0.01 . 1 . . . . . 4 SER H . 27611 1
14 . 1 1 4 4 SER HA H 1 4.299 0.01 . 1 . . . . . 4 SER HA . 27611 1
15 . 1 1 4 4 SER HB2 H 1 3.724 0.01 . 2 . . . . . 4 SER HB2 . 27611 1
16 . 1 1 4 4 SER HB3 H 1 3.603 0.01 . 2 . . . . . 4 SER HB3 . 27611 1
17 . 1 1 4 4 SER CA C 13 52.832 0.1 . 1 . . . . . 4 SER CA . 27611 1
18 . 1 1 4 4 SER CB C 13 61.280 0.1 . 1 . . . . . 4 SER CB . 27611 1
19 . 1 1 5 5 SER H H 1 8.171 0.01 . 1 . . . . . 5 SER H . 27611 1
20 . 1 1 5 5 SER HA H 1 4.319 0.01 . 1 . . . . . 5 SER HA . 27611 1
21 . 1 1 5 5 SER HB2 H 1 3.810 0.01 . 2 . . . . . 5 SER HB2 . 27611 1
22 . 1 1 5 5 SER HB3 H 1 3.746 0.01 . 2 . . . . . 5 SER HB3 . 27611 1
23 . 1 1 5 5 SER CB C 13 61.108 0.1 . 1 . . . . . 5 SER CB . 27611 1
24 . 1 1 6 6 VAL H H 1 7.870 0.01 . 1 . . . . . 6 VAL H . 27611 1
25 . 1 1 6 6 VAL HA H 1 4.030 0.01 . 1 . . . . . 6 VAL HA . 27611 1
26 . 1 1 6 6 VAL HB H 1 1.926 0.01 . 1 . . . . . 6 VAL HB . 27611 1
27 . 1 1 6 6 VAL HG11 H 1 0.744 0.01 . 2 . . . . . 6 VAL QG1 . 27611 1
28 . 1 1 6 6 VAL HG12 H 1 0.744 0.01 . 2 . . . . . 6 VAL QG1 . 27611 1
29 . 1 1 6 6 VAL HG13 H 1 0.744 0.01 . 2 . . . . . 6 VAL QG1 . 27611 1
30 . 1 1 6 6 VAL HG21 H 1 0.755 0.01 . 2 . . . . . 6 VAL QG2 . 27611 1
31 . 1 1 6 6 VAL HG22 H 1 0.755 0.01 . 2 . . . . . 6 VAL QG2 . 27611 1
32 . 1 1 6 6 VAL HG23 H 1 0.755 0.01 . 2 . . . . . 6 VAL QG2 . 27611 1
33 . 1 1 6 6 VAL CA C 13 59.999 0.1 . 1 . . . . . 6 VAL CA . 27611 1
34 . 1 1 6 6 VAL CB C 13 29.856 0.1 . 1 . . . . . 6 VAL CB . 27611 1
35 . 1 1 6 6 VAL CG1 C 13 18.200 0.1 . 1 . . . . . 6 VAL CG1 . 27611 1
36 . 1 1 6 6 VAL CG2 C 13 17.599 0.1 . 1 . . . . . 6 VAL CG2 . 27611 1
37 . 1 1 7 7 TRP H H 1 8.042 0.01 . 1 . . . . . 7 TRP H . 27611 1
38 . 1 1 7 7 TRP HA H 1 4.652 0.01 . 1 . . . . . 7 TRP HA . 27611 1
39 . 1 1 7 7 TRP HB2 H 1 3.245 0.01 . 2 . . . . . 7 TRP HB2 . 27611 1
40 . 1 1 7 7 TRP HB3 H 1 3.137 0.01 . 2 . . . . . 7 TRP HB3 . 27611 1
41 . 1 1 7 7 TRP HD1 H 1 7.172 0.01 . 1 . . . . . 7 TRP HD1 . 27611 1
42 . 1 1 7 7 TRP HE1 H 1 10.075 0.01 . 1 . . . . . 7 TRP HE1 . 27611 1
43 . 1 1 7 7 TRP CB C 13 26.884 0.1 . 1 . . . . . 7 TRP CB . 27611 1
44 . 1 1 7 7 TRP CD1 C 13 124.637 0.1 . 1 . . . . . 7 TRP CD1 . 27611 1
45 . 1 1 8 8 ASP H H 1 8.264 0.01 . 1 . . . . . 8 ASP H . 27611 1
46 . 1 1 8 8 ASP HA H 1 4.674 0.01 . 1 . . . . . 8 ASP HA . 27611 1
47 . 1 1 8 8 ASP HB2 H 1 2.768 0.01 . 2 . . . . . 8 ASP HB2 . 27611 1
48 . 1 1 8 8 ASP HB3 H 1 2.648 0.01 . 2 . . . . . 8 ASP HB3 . 27611 1
49 . 1 1 8 8 ASP CB C 13 36.127 0.1 . 1 . . . . . 8 ASP CB . 27611 1
50 . 1 1 9 9 GLY H H 1 7.341 0.01 . 1 . . . . . 9 GLY H . 27611 1
51 . 1 1 9 9 GLY HA2 H 1 3.619 0.01 . 2 . . . . . 9 GLY HA2 . 27611 1
52 . 1 1 9 9 GLY HA3 H 1 3.619 0.01 . 2 . . . . . 9 GLY HA3 . 27611 1
53 . 1 1 9 9 GLY CA C 13 61.276 0.1 . 1 . . . . . 9 GLY CA . 27611 1
54 . 1 1 10 10 ALA H H 1 7.905 0.01 . 1 . . . . . 10 ALA H . 27611 1
55 . 1 1 10 10 ALA HA H 1 4.221 0.01 . 1 . . . . . 10 ALA HA . 27611 1
56 . 1 1 10 10 ALA HB1 H 1 1.343 0.01 . 1 . . . . . 10 ALA QB . 27611 1
57 . 1 1 10 10 ALA HB2 H 1 1.343 0.01 . 1 . . . . . 10 ALA QB . 27611 1
58 . 1 1 10 10 ALA HB3 H 1 1.343 0.01 . 1 . . . . . 10 ALA QB . 27611 1
59 . 1 1 10 10 ALA CB C 13 16.470 0.1 . 1 . . . . . 10 ALA CB . 27611 1
60 . 1 1 11 11 LYS H H 1 8.062 0.01 . 1 . . . . . 11 LYS H . 27611 1
61 . 1 1 11 11 LYS HA H 1 4.224 0.01 . 1 . . . . . 11 LYS HA . 27611 1
62 . 1 1 11 11 LYS HB2 H 1 1.758 0.01 . 2 . . . . . 11 LYS HB2 . 27611 1
63 . 1 1 11 11 LYS HB3 H 1 1.684 0.01 . 2 . . . . . 11 LYS HB3 . 27611 1
64 . 1 1 11 11 LYS HG2 H 1 1.356 0.01 . 2 . . . . . 11 LYS HG2 . 27611 1
65 . 1 1 11 11 LYS HG3 H 1 1.356 0.01 . 2 . . . . . 11 LYS HG3 . 27611 1
66 . 1 1 11 11 LYS HD2 H 1 1.594 0.01 . 2 . . . . . 11 LYS HD2 . 27611 1
67 . 1 1 11 11 LYS HD3 H 1 1.594 0.01 . 2 . . . . . 11 LYS HD3 . 27611 1
68 . 1 1 11 11 LYS HE2 H 1 2.904 0.01 . 2 . . . . . 11 LYS HE2 . 27611 1
69 . 1 1 11 11 LYS HE3 H 1 2.904 0.01 . 2 . . . . . 11 LYS HE3 . 27611 1
70 . 1 1 11 11 LYS CA C 13 49.959 0.1 . 1 . . . . . 11 LYS CA . 27611 1
71 . 1 1 11 11 LYS CB C 13 30.290 0.1 . 1 . . . . . 11 LYS CB . 27611 1
72 . 1 1 11 11 LYS CG C 13 22.154 0.1 . 1 . . . . . 11 LYS CG . 27611 1
73 . 1 1 11 11 LYS CD C 13 26.346 0.1 . 1 . . . . . 11 LYS CD . 27611 1
74 . 1 1 11 11 LYS CE C 13 39.469 0.1 . 1 . . . . . 11 LYS CE . 27611 1
75 . 1 1 12 12 ASN H H 1 8.046 0.01 . 1 . . . . . 12 ASN H . 27611 1
76 . 1 1 12 12 ASN HA H 1 4.501 0.01 . 1 . . . . . 12 ASN HA . 27611 1
77 . 1 1 12 12 ASN HB2 H 1 2.587 0.01 . 2 . . . . . 12 ASN HB2 . 27611 1
78 . 1 1 12 12 ASN HB3 H 1 2.587 0.01 . 2 . . . . . 12 ASN HB3 . 27611 1
79 . 1 1 12 12 ASN CA C 13 55.908 0.1 . 1 . . . . . 12 ASN CA . 27611 1
80 . 1 1 12 12 ASN CB C 13 37.231 0.1 . 1 . . . . . 12 ASN CB . 27611 1
81 . 1 1 13 13 VAL H H 1 7.990 0.01 . 1 . . . . . 13 VAL H . 27611 1
82 . 1 1 13 13 VAL HA H 1 4.104 0.01 . 1 . . . . . 13 VAL HA . 27611 1
83 . 1 1 13 13 VAL HB H 1 2.081 0.01 . 1 . . . . . 13 VAL HB . 27611 1
84 . 1 1 13 13 VAL HG11 H 1 0.876 0.01 . 2 . . . . . 13 VAL QG1 . 27611 1
85 . 1 1 13 13 VAL HG12 H 1 0.876 0.01 . 2 . . . . . 13 VAL QG1 . 27611 1
86 . 1 1 13 13 VAL HG13 H 1 0.876 0.01 . 2 . . . . . 13 VAL QG1 . 27611 1
87 . 1 1 13 13 VAL HG21 H 1 0.876 0.01 . 2 . . . . . 13 VAL QG2 . 27611 1
88 . 1 1 13 13 VAL HG22 H 1 0.876 0.01 . 2 . . . . . 13 VAL QG2 . 27611 1
89 . 1 1 13 13 VAL HG23 H 1 0.876 0.01 . 2 . . . . . 13 VAL QG2 . 27611 1
90 . 1 1 13 13 VAL CB C 13 30.036 0.1 . 1 . . . . . 13 VAL CB . 27611 1
91 . 1 1 13 13 VAL CG1 C 13 18.418 0.1 . 1 . . . . . 13 VAL CG1 . 27611 1
92 . 1 1 13 13 VAL CG2 C 13 17.613 0.1 . 1 . . . . . 13 VAL CG2 . 27611 1
93 . 1 1 14 14 GLY H H 1 8.374 0.01 . 1 . . . . . 14 GLY H . 27611 1
94 . 1 1 14 14 GLY HA2 H 1 3.950 0.01 . 2 . . . . . 14 GLY HA2 . 27611 1
95 . 1 1 14 14 GLY HA3 H 1 3.950 0.01 . 2 . . . . . 14 GLY HA3 . 27611 1
96 . 1 1 14 14 GLY CA C 13 42.756 0.1 . 1 . . . . . 14 GLY CA . 27611 1
97 . 1 1 15 15 THR H H 1 7.938 0.01 . 1 . . . . . 15 THR H . 27611 1
98 . 1 1 15 15 THR HA H 1 4.258 0.01 . 1 . . . . . 15 THR HA . 27611 1
99 . 1 1 15 15 THR HB H 1 4.171 0.01 . 1 . . . . . 15 THR HB . 27611 1
100 . 1 1 15 15 THR HG21 H 1 1.150 0.01 . 1 . . . . . 15 THR QG2 . 27611 1
101 . 1 1 15 15 THR HG22 H 1 1.150 0.01 . 1 . . . . . 15 THR QG2 . 27611 1
102 . 1 1 15 15 THR HG23 H 1 1.150 0.01 . 1 . . . . . 15 THR QG2 . 27611 1
103 . 1 1 15 15 THR CA C 13 59.203 0.1 . 1 . . . . . 15 THR CA . 27611 1
104 . 1 1 15 15 THR CB C 13 59.348 0.1 . 1 . . . . . 15 THR CB . 27611 1
105 . 1 1 15 15 THR CG2 C 13 18.909 0.1 . 1 . . . . . 15 THR CG2 . 27611 1
106 . 1 1 16 16 ALA H H 1 8.198 0.01 . 1 . . . . . 16 ALA H . 27611 1
107 . 1 1 16 16 ALA HA H 1 4.292 0.01 . 1 . . . . . 16 ALA HA . 27611 1
108 . 1 1 16 16 ALA HB1 H 1 1.325 0.01 . 1 . . . . . 16 ALA QB . 27611 1
109 . 1 1 16 16 ALA HB2 H 1 1.325 0.01 . 1 . . . . . 16 ALA QB . 27611 1
110 . 1 1 16 16 ALA HB3 H 1 1.325 0.01 . 1 . . . . . 16 ALA QB . 27611 1
111 . 1 1 16 16 ALA CB C 13 16.541 0.1 . 1 . . . . . 16 ALA CB . 27611 1
112 . 1 1 17 17 ILE H H 1 7.993 0.01 . 1 . . . . . 17 ILE H . 27611 1
113 . 1 1 17 17 ILE HA H 1 4.058 0.01 . 1 . . . . . 17 ILE HA . 27611 1
114 . 1 1 17 17 ILE HB H 1 1.778 0.01 . 1 . . . . . 17 ILE HB . 27611 1
115 . 1 1 17 17 ILE HG12 H 1 1.422 0.01 . 2 . . . . . 17 ILE HG12 . 27611 1
116 . 1 1 17 17 ILE HG13 H 1 1.131 0.01 . 2 . . . . . 17 ILE HG13 . 27611 1
117 . 1 1 17 17 ILE HG21 H 1 0.809 0.01 . 1 . . . . . 17 ILE QG2 . 27611 1
118 . 1 1 17 17 ILE HG22 H 1 0.809 0.01 . 1 . . . . . 17 ILE QG2 . 27611 1
119 . 1 1 17 17 ILE HG23 H 1 0.809 0.01 . 1 . . . . . 17 ILE QG2 . 27611 1
120 . 1 1 17 17 ILE HD11 H 1 0.846 0.01 . 1 . . . . . 17 ILE QD1 . 27611 1
121 . 1 1 17 17 ILE HD12 H 1 0.846 0.01 . 1 . . . . . 17 ILE QD1 . 27611 1
122 . 1 1 17 17 ILE HD13 H 1 0.846 0.01 . 1 . . . . . 17 ILE QD1 . 27611 1
123 . 1 1 17 17 ILE CA C 13 59.647 0.1 . 1 . . . . . 17 ILE CA . 27611 1
124 . 1 1 17 17 ILE CB C 13 35.804 0.1 . 1 . . . . . 17 ILE CB . 27611 1
125 . 1 1 17 17 ILE CG1 C 13 24.650 0.1 . 1 . . . . . 17 ILE CG1 . 27611 1
126 . 1 1 17 17 ILE CG2 C 13 17.685 0.1 . 1 . . . . . 17 ILE CG2 . 27611 1
127 . 1 1 17 17 ILE CD1 C 13 14.808 0.1 . 1 . . . . . 17 ILE CD1 . 27611 1
128 . 1 1 18 18 ILE H H 1 8.101 0.01 . 1 . . . . . 18 ILE H . 27611 1
129 . 1 1 18 18 ILE HA H 1 4.097 0.01 . 1 . . . . . 18 ILE HA . 27611 1
130 . 1 1 18 18 ILE HB H 1 1.792 0.01 . 1 . . . . . 18 ILE HB . 27611 1
131 . 1 1 18 18 ILE HG12 H 1 1.423 0.01 . 2 . . . . . 18 ILE HG12 . 27611 1
132 . 1 1 18 18 ILE HG13 H 1 1.132 0.01 . 2 . . . . . 18 ILE HG13 . 27611 1
133 . 1 1 18 18 ILE HG21 H 1 0.831 0.01 . 1 . . . . . 18 ILE QG2 . 27611 1
134 . 1 1 18 18 ILE HG22 H 1 0.831 0.01 . 1 . . . . . 18 ILE QG2 . 27611 1
135 . 1 1 18 18 ILE HG23 H 1 0.831 0.01 . 1 . . . . . 18 ILE QG2 . 27611 1
136 . 1 1 18 18 ILE HD11 H 1 0.786 0.01 . 1 . . . . . 18 ILE QD1 . 27611 1
137 . 1 1 18 18 ILE HD12 H 1 0.786 0.01 . 1 . . . . . 18 ILE QD1 . 27611 1
138 . 1 1 18 18 ILE HD13 H 1 0.786 0.01 . 1 . . . . . 18 ILE QD1 . 27611 1
139 . 1 1 18 18 ILE CA C 13 58.314 0.1 . 1 . . . . . 18 ILE CA . 27611 1
140 . 1 1 18 18 ILE CB C 13 35.802 0.1 . 1 . . . . . 18 ILE CB . 27611 1
141 . 1 1 18 18 ILE CG1 C 13 24.601 0.1 . 1 . . . . . 18 ILE CG1 . 27611 1
142 . 1 1 18 18 ILE CD1 C 13 9.954 0.1 . 1 . . . . . 18 ILE CD1 . 27611 1
143 . 1 1 19 19 LYS H H 1 8.335 0.01 . 1 . . . . . 19 LYS H . 27611 1
144 . 1 1 19 19 LYS HA H 1 4.236 0.01 . 1 . . . . . 19 LYS HA . 27611 1
145 . 1 1 19 19 LYS HB2 H 1 1.754 0.01 . 2 . . . . . 19 LYS HB2 . 27611 1
146 . 1 1 19 19 LYS HB3 H 1 1.696 0.01 . 2 . . . . . 19 LYS HB3 . 27611 1
147 . 1 1 19 19 LYS HG2 H 1 1.407 0.01 . 2 . . . . . 19 LYS HG2 . 27611 1
148 . 1 1 19 19 LYS HG3 H 1 1.312 0.01 . 2 . . . . . 19 LYS HG3 . 27611 1
149 . 1 1 19 19 LYS HD2 H 1 1.627 0.01 . 2 . . . . . 19 LYS HD2 . 27611 1
150 . 1 1 19 19 LYS HD3 H 1 1.627 0.01 . 2 . . . . . 19 LYS HD3 . 27611 1
151 . 1 1 19 19 LYS HE2 H 1 2.928 0.01 . 2 . . . . . 19 LYS HE2 . 27611 1
152 . 1 1 19 19 LYS HE3 H 1 2.928 0.01 . 2 . . . . . 19 LYS HE3 . 27611 1
153 . 1 1 19 19 LYS CB C 13 30.359 0.1 . 1 . . . . . 19 LYS CB . 27611 1
154 . 1 1 19 19 LYS CG C 13 22.152 0.1 . 1 . . . . . 19 LYS CG . 27611 1
155 . 1 1 19 19 LYS CD C 13 26.448 0.1 . 1 . . . . . 19 LYS CD . 27611 1
156 . 1 1 19 19 LYS CE C 13 39.454 0.1 . 1 . . . . . 19 LYS CE . 27611 1
157 . 1 1 20 20 ASN H H 1 8.307 0.01 . 1 . . . . . 20 ASN H . 27611 1
158 . 1 1 20 20 ASN HA H 1 4.610 0.01 . 1 . . . . . 20 ASN HA . 27611 1
159 . 1 1 20 20 ASN HB2 H 1 2.793 0.01 . 2 . . . . . 20 ASN HB2 . 27611 1
160 . 1 1 20 20 ASN HB3 H 1 2.723 0.01 . 2 . . . . . 20 ASN HB3 . 27611 1
161 . 1 1 20 20 ASN CB C 13 36.127 0.1 . 1 . . . . . 20 ASN CB . 27611 1
162 . 1 1 21 21 ALA H H 1 8.151 0.01 . 1 . . . . . 21 ALA H . 27611 1
163 . 1 1 21 21 ALA HA H 1 4.236 0.01 . 1 . . . . . 21 ALA HA . 27611 1
164 . 1 1 21 21 ALA HB1 H 1 1.346 0.01 . 1 . . . . . 21 ALA QB . 27611 1
165 . 1 1 21 21 ALA HB2 H 1 1.346 0.01 . 1 . . . . . 21 ALA QB . 27611 1
166 . 1 1 21 21 ALA HB3 H 1 1.346 0.01 . 1 . . . . . 21 ALA QB . 27611 1
167 . 1 1 21 21 ALA CB C 13 16.727 0.1 . 1 . . . . . 21 ALA CB . 27611 1
168 . 1 1 22 22 LYS H H 1 8.198 0.01 . 1 . . . . . 22 LYS H . 27611 1
169 . 1 1 22 22 LYS HA H 1 4.291 0.01 . 1 . . . . . 22 LYS HA . 27611 1
170 . 1 1 22 22 LYS HB2 H 1 1.779 0.01 . 2 . . . . . 22 LYS HB2 . 27611 1
171 . 1 1 22 22 LYS HB3 H 1 1.712 0.01 . 2 . . . . . 22 LYS HB3 . 27611 1
172 . 1 1 22 22 LYS HG2 H 1 1.371 0.01 . 2 . . . . . 22 LYS HG2 . 27611 1
173 . 1 1 22 22 LYS HG3 H 1 1.371 0.01 . 2 . . . . . 22 LYS HG3 . 27611 1
174 . 1 1 22 22 LYS HD2 H 1 1.632 0.01 . 2 . . . . . 22 LYS HD2 . 27611 1
175 . 1 1 22 22 LYS HD3 H 1 1.632 0.01 . 2 . . . . . 22 LYS HD3 . 27611 1
176 . 1 1 22 22 LYS HE2 H 1 2.957 0.01 . 2 . . . . . 22 LYS HE2 . 27611 1
177 . 1 1 22 22 LYS HE3 H 1 2.957 0.01 . 2 . . . . . 22 LYS HE3 . 27611 1
178 . 1 1 22 22 LYS CB C 13 30.297 0.1 . 1 . . . . . 22 LYS CB . 27611 1
179 . 1 1 22 22 LYS CG C 13 22.187 0.1 . 1 . . . . . 22 LYS CG . 27611 1
180 . 1 1 22 22 LYS CD C 13 26.401 0.1 . 1 . . . . . 22 LYS CD . 27611 1
181 . 1 1 22 22 LYS CE C 13 39.495 0.1 . 1 . . . . . 22 LYS CE . 27611 1
182 . 1 1 23 23 VAL H H 1 8.090 0.01 . 1 . . . . . 23 VAL H . 27611 1
183 . 1 1 23 23 VAL HA H 1 4.143 0.01 . 1 . . . . . 23 VAL HA . 27611 1
184 . 1 1 23 23 VAL HB H 1 2.016 0.01 . 1 . . . . . 23 VAL HB . 27611 1
185 . 1 1 23 23 VAL HG11 H 1 0.851 0.01 . 2 . . . . . 23 VAL QG1 . 27611 1
186 . 1 1 23 23 VAL HG12 H 1 0.851 0.01 . 2 . . . . . 23 VAL QG1 . 27611 1
187 . 1 1 23 23 VAL HG13 H 1 0.851 0.01 . 2 . . . . . 23 VAL QG1 . 27611 1
188 . 1 1 23 23 VAL HG21 H 1 0.851 0.01 . 2 . . . . . 23 VAL QG2 . 27611 1
189 . 1 1 23 23 VAL HG22 H 1 0.851 0.01 . 2 . . . . . 23 VAL QG2 . 27611 1
190 . 1 1 23 23 VAL HG23 H 1 0.851 0.01 . 2 . . . . . 23 VAL QG2 . 27611 1
191 . 1 1 23 23 VAL CA C 13 59.471 0.1 . 1 . . . . . 23 VAL CA . 27611 1
192 . 1 1 23 23 VAL CB C 13 30.432 0.1 . 1 . . . . . 23 VAL CB . 27611 1
193 . 1 1 23 23 VAL CG1 C 13 18.416 0.1 . 1 . . . . . 23 VAL CG1 . 27611 1
194 . 1 1 23 23 VAL CG2 C 13 17.605 0.1 . 1 . . . . . 23 VAL CG2 . 27611 1
195 . 1 1 24 24 CYS H H 1 8.409 0.01 . 1 . . . . . 24 CYS H . 27611 1
196 . 1 1 24 24 CYS HA H 1 4.528 0.01 . 1 . . . . . 24 CYS HA . 27611 1
197 . 1 1 24 24 CYS HB2 H 1 2.894 0.01 . 2 . . . . . 24 CYS HB2 . 27611 1
198 . 1 1 24 24 CYS HB3 H 1 2.894 0.01 . 2 . . . . . 24 CYS HB3 . 27611 1
199 . 1 1 24 24 CYS CB C 13 37.130 0.1 . 1 . . . . . 24 CYS CB . 27611 1
200 . 1 1 25 25 VAL H H 1 8.083 0.01 . 1 . . . . . 25 VAL H . 27611 1
201 . 1 1 25 25 VAL HA H 1 4.063 0.01 . 1 . . . . . 25 VAL HA . 27611 1
202 . 1 1 25 25 VAL HB H 1 1.979 0.01 . 1 . . . . . 25 VAL HB . 27611 1
203 . 1 1 25 25 VAL HG11 H 1 0.671 0.01 . 2 . . . . . 25 VAL QG1 . 27611 1
204 . 1 1 25 25 VAL HG12 H 1 0.671 0.01 . 2 . . . . . 25 VAL QG1 . 27611 1
205 . 1 1 25 25 VAL HG13 H 1 0.671 0.01 . 2 . . . . . 25 VAL QG1 . 27611 1
206 . 1 1 25 25 VAL HG21 H 1 0.586 0.01 . 2 . . . . . 25 VAL QG2 . 27611 1
207 . 1 1 25 25 VAL HG22 H 1 0.586 0.01 . 2 . . . . . 25 VAL QG2 . 27611 1
208 . 1 1 25 25 VAL HG23 H 1 0.586 0.01 . 2 . . . . . 25 VAL QG2 . 27611 1
209 . 1 1 25 25 VAL CA C 13 58.495 0.1 . 1 . . . . . 25 VAL CA . 27611 1
210 . 1 1 25 25 VAL CB C 13 29.304 0.1 . 1 . . . . . 25 VAL CB . 27611 1
211 . 1 1 25 25 VAL CG1 C 13 18.336 0.1 . 1 . . . . . 25 VAL CG1 . 27611 1
212 . 1 1 25 25 VAL CG2 C 13 16.727 0.1 . 1 . . . . . 25 VAL CG2 . 27611 1
213 . 1 1 26 26 TYR H H 1 7.711 0.01 . 1 . . . . . 26 TYR H . 27611 1
214 . 1 1 26 26 TYR HA H 1 4.553 0.01 . 1 . . . . . 26 TYR HA . 27611 1
215 . 1 1 26 26 TYR HB2 H 1 3.298 0.01 . 2 . . . . . 26 TYR HB2 . 27611 1
216 . 1 1 26 26 TYR HB3 H 1 2.863 0.01 . 2 . . . . . 26 TYR HB3 . 27611 1
217 . 1 1 26 26 TYR HD1 H 1 7.096 0.01 . 1 . . . . . 26 TYR HD1 . 27611 1
218 . 1 1 26 26 TYR HD2 H 1 7.096 0.01 . 1 . . . . . 26 TYR HD2 . 27611 1
219 . 1 1 26 26 TYR HE1 H 1 6.818 0.01 . 1 . . . . . 26 TYR HE1 . 27611 1
220 . 1 1 26 26 TYR HE2 H 1 6.818 0.01 . 1 . . . . . 26 TYR HE2 . 27611 1
221 . 1 1 26 26 TYR CB C 13 36.218 0.1 . 1 . . . . . 26 TYR CB . 27611 1
222 . 1 1 26 26 TYR CD1 C 13 119.396 0.1 . 1 . . . . . 26 TYR CD1 . 27611 1
223 . 1 1 26 26 TYR CE1 C 13 115.738 0.1 . 1 . . . . . 26 TYR CE1 . 27611 1
224 . 1 1 27 27 ALA H H 1 8.283 0.01 . 1 . . . . . 27 ALA H . 27611 1
225 . 1 1 27 27 ALA HA H 1 4.119 0.01 . 1 . . . . . 27 ALA HA . 27611 1
226 . 1 1 27 27 ALA HB1 H 1 1.421 0.01 . 1 . . . . . 27 ALA QB . 27611 1
227 . 1 1 27 27 ALA HB2 H 1 1.421 0.01 . 1 . . . . . 27 ALA QB . 27611 1
228 . 1 1 27 27 ALA HB3 H 1 1.421 0.01 . 1 . . . . . 27 ALA QB . 27611 1
229 . 1 1 27 27 ALA CA C 13 55.188 0.1 . 1 . . . . . 27 ALA CA . 27611 1
230 . 1 1 27 27 ALA CB C 13 16.139 0.1 . 1 . . . . . 27 ALA CB . 27611 1
231 . 1 1 28 28 VAL H H 1 7.651 0.01 . 1 . . . . . 28 VAL H . 27611 1
232 . 1 1 28 28 VAL HA H 1 4.090 0.01 . 1 . . . . . 28 VAL HA . 27611 1
233 . 1 1 28 28 VAL HB H 1 2.058 0.01 . 1 . . . . . 28 VAL HB . 27611 1
234 . 1 1 28 28 VAL HG11 H 1 0.908 0.01 . 2 . . . . . 28 VAL QG1 . 27611 1
235 . 1 1 28 28 VAL HG12 H 1 0.908 0.01 . 2 . . . . . 28 VAL QG1 . 27611 1
236 . 1 1 28 28 VAL HG13 H 1 0.908 0.01 . 2 . . . . . 28 VAL QG1 . 27611 1
237 . 1 1 28 28 VAL HG21 H 1 0.886 0.01 . 2 . . . . . 28 VAL QG2 . 27611 1
238 . 1 1 28 28 VAL HG22 H 1 0.886 0.01 . 2 . . . . . 28 VAL QG2 . 27611 1
239 . 1 1 28 28 VAL HG23 H 1 0.886 0.01 . 2 . . . . . 28 VAL QG2 . 27611 1
240 . 1 1 28 28 VAL CA C 13 59.773 0.1 . 1 . . . . . 28 VAL CA . 27611 1
241 . 1 1 28 28 VAL CB C 13 30.160 0.1 . 1 . . . . . 28 VAL CB . 27611 1
242 . 1 1 28 28 VAL CG1 C 13 18.041 0.1 . 1 . . . . . 28 VAL CG1 . 27611 1
243 . 1 1 28 28 VAL CG2 C 13 18.446 0.1 . 1 . . . . . 28 VAL CG2 . 27611 1
244 . 1 1 29 29 CYS H H 1 8.503 0.01 . 1 . . . . . 29 CYS H . 27611 1
245 . 1 1 29 29 CYS HA H 1 4.812 0.01 . 1 . . . . . 29 CYS HA . 27611 1
246 . 1 1 29 29 CYS HB2 H 1 3.147 0.01 . 2 . . . . . 29 CYS HB2 . 27611 1
247 . 1 1 29 29 CYS HB3 H 1 3.022 0.01 . 2 . . . . . 29 CYS HB3 . 27611 1
248 . 1 1 29 29 CYS CB C 13 40.229 0.1 . 1 . . . . . 29 CYS CB . 27611 1
249 . 1 1 30 30 VAL H H 1 7.994 0.01 . 1 . . . . . 30 VAL H . 27611 1
250 . 1 1 30 30 VAL HA H 1 4.066 0.01 . 1 . . . . . 30 VAL HA . 27611 1
251 . 1 1 30 30 VAL HB H 1 2.001 0.01 . 1 . . . . . 30 VAL HB . 27611 1
252 . 1 1 30 30 VAL HG11 H 1 0.871 0.01 . 2 . . . . . 30 VAL QG1 . 27611 1
253 . 1 1 30 30 VAL HG12 H 1 0.871 0.01 . 2 . . . . . 30 VAL QG1 . 27611 1
254 . 1 1 30 30 VAL HG13 H 1 0.871 0.01 . 2 . . . . . 30 VAL QG1 . 27611 1
255 . 1 1 30 30 VAL HG21 H 1 0.852 0.01 . 2 . . . . . 30 VAL QG2 . 27611 1
256 . 1 1 30 30 VAL HG22 H 1 0.852 0.01 . 2 . . . . . 30 VAL QG2 . 27611 1
257 . 1 1 30 30 VAL HG23 H 1 0.852 0.01 . 2 . . . . . 30 VAL QG2 . 27611 1
258 . 1 1 30 30 VAL CB C 13 30.230 0.1 . 1 . . . . . 30 VAL CB . 27611 1
259 . 1 1 30 30 VAL CG1 C 13 17.956 0.1 . 1 . . . . . 30 VAL CG1 . 27611 1
260 . 1 1 30 30 VAL CG2 C 13 18.284 0.1 . 1 . . . . . 30 VAL CG2 . 27611 1
261 . 1 1 31 31 SER H H 1 8.340 0.01 . 1 . . . . . 31 SER H . 27611 1
262 . 1 1 31 31 SER HA H 1 4.425 0.01 . 1 . . . . . 31 SER HA . 27611 1
263 . 1 1 31 31 SER HB2 H 1 3.779 0.01 . 2 . . . . . 31 SER HB2 . 27611 1
264 . 1 1 31 31 SER HB3 H 1 3.779 0.01 . 2 . . . . . 31 SER HB3 . 27611 1
265 . 1 1 31 31 SER CB C 13 61.231 0.1 . 1 . . . . . 31 SER CB . 27611 1
266 . 1 1 32 32 HIS H H 1 8.288 0.01 . 1 . . . . . 32 HIS H . 27611 1
267 . 1 1 32 32 HIS HA H 1 4.683 0.01 . 1 . . . . . 32 HIS HA . 27611 1
268 . 1 1 32 32 HIS HB2 H 1 3.231 0.01 . 2 . . . . . 32 HIS HB2 . 27611 1
269 . 1 1 32 32 HIS HB3 H 1 3.173 0.01 . 2 . . . . . 32 HIS HB3 . 27611 1
270 . 1 1 32 32 HIS HD2 H 1 7.260 0.01 . 1 . . . . . 32 HIS HD2 . 27611 1
271 . 1 1 32 32 HIS HE1 H 1 8.535 0.01 . 1 . . . . . 32 HIS HE1 . 27611 1
272 . 1 1 32 32 HIS CD2 C 13 128.756 0.1 . 1 . . . . . 32 HIS CD2 . 27611 1
273 . 1 1 32 32 HIS CE1 C 13 133.802 0.1 . 1 . . . . . 32 HIS CE1 . 27611 1
274 . 1 1 33 33 LYS H H 1 8.184 0.01 . 1 . . . . . 33 LYS H . 27611 1
275 . 1 1 33 33 LYS HA H 1 4.118 0.01 . 1 . . . . . 33 LYS HA . 27611 1
276 . 1 1 33 33 LYS HB2 H 1 1.789 0.01 . 2 . . . . . 33 LYS HB2 . 27611 1
277 . 1 1 33 33 LYS HB3 H 1 1.680 0.01 . 2 . . . . . 33 LYS HB3 . 27611 1
278 . 1 1 33 33 LYS HG2 H 1 1.369 0.01 . 2 . . . . . 33 LYS HG2 . 27611 1
279 . 1 1 33 33 LYS HG3 H 1 1.369 0.01 . 2 . . . . . 33 LYS HG3 . 27611 1
280 . 1 1 33 33 LYS HD2 H 1 1.645 0.01 . 2 . . . . . 33 LYS HD2 . 27611 1
281 . 1 1 33 33 LYS HD3 H 1 1.645 0.01 . 2 . . . . . 33 LYS HD3 . 27611 1
282 . 1 1 33 33 LYS HE2 H 1 2.947 0.01 . 2 . . . . . 33 LYS HE2 . 27611 1
283 . 1 1 33 33 LYS HE3 H 1 2.947 0.01 . 2 . . . . . 33 LYS HE3 . 27611 1
284 . 1 1 33 33 LYS CA C 13 55.255 0.1 . 1 . . . . . 33 LYS CA . 27611 1
285 . 1 1 33 33 LYS CB C 13 30.638 0.1 . 1 . . . . . 33 LYS CB . 27611 1
286 . 1 1 33 33 LYS CG C 13 22.175 0.1 . 1 . . . . . 33 LYS CG . 27611 1
287 . 1 1 33 33 LYS CD C 13 26.398 0.1 . 1 . . . . . 33 LYS CD . 27611 1
288 . 1 1 33 33 LYS CE C 13 39.505 0.1 . 1 . . . . . 33 LYS CE . 27611 1
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