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 30748
_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 TOCSY' . . . 30748 1
2 '2D NOESY' . . . 30748 1
3 '2D 1H-13C HSQC' . . . 30748 1
4 '2D NOESY' . . . 30748 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 PCA H H 1 7.992 0.003 . . . . . . A 1 PCA H . 30748 1
2 . 1 . 1 1 1 PCA CA C 13 59.366 0.000 . . . . . . A 1 PCA CA . 30748 1
3 . 1 . 1 1 1 PCA HA H 1 4.452 0.000 . . . . . . A 1 PCA HA . 30748 1
4 . 1 . 1 1 1 PCA HB2 H 1 2.114 0.009 . . . . . . A 1 PCA HB2 . 30748 1
5 . 1 . 1 1 1 PCA HB3 H 1 2.114 0.009 . . . . . . A 1 PCA HB3 . 30748 1
6 . 1 . 1 1 1 PCA HG2 H 1 2.571 0.000 . . . . . . A 1 PCA HG2 . 30748 1
7 . 1 . 1 1 1 PCA HG3 H 1 2.438 0.001 . . . . . . A 1 PCA HG3 . 30748 1
8 . 1 . 1 2 2 LYS H H 1 8.628 0.000 . . . . . . A 2 LYS H . 30748 1
9 . 1 . 1 2 2 LYS HA H 1 4.294 0.001 . . . . . . A 2 LYS HA . 30748 1
10 . 1 . 1 2 2 LYS HB2 H 1 1.889 0.009 . . . . . . A 2 LYS HB2 . 30748 1
11 . 1 . 1 2 2 LYS HB3 H 1 1.846 0.008 . . . . . . A 2 LYS HB3 . 30748 1
12 . 1 . 1 2 2 LYS HG2 H 1 1.478 0.010 . . . . . . A 2 LYS HG2 . 30748 1
13 . 1 . 1 2 2 LYS HG3 H 1 1.432 0.000 . . . . . . A 2 LYS HG3 . 30748 1
14 . 1 . 1 2 2 LYS CA C 13 56.082 0.000 . . . . . . A 2 LYS CA . 30748 1
15 . 1 . 1 2 2 LYS CB C 13 32.552 0.000 . . . . . . A 2 LYS CB . 30748 1
16 . 1 . 1 2 2 LYS CG C 13 24.775 0.000 . . . . . . A 2 LYS CG . 30748 1
17 . 1 . 1 3 3 GLU H H 1 9.010 0.004 . . . . . . A 3 GLU H . 30748 1
18 . 1 . 1 3 3 GLU HA H 1 4.175 0.004 . . . . . . A 3 GLU HA . 30748 1
19 . 1 . 1 3 3 GLU HB2 H 1 2.096 0.006 . . . . . . A 3 GLU HB2 . 30748 1
20 . 1 . 1 3 3 GLU HB3 H 1 2.055 0.005 . . . . . . A 3 GLU HB3 . 30748 1
21 . 1 . 1 3 3 GLU HG2 H 1 2.424 0.008 . . . . . . A 3 GLU HG2 . 30748 1
22 . 1 . 1 3 3 GLU HG3 H 1 2.424 0.008 . . . . . . A 3 GLU HG3 . 30748 1
23 . 1 . 1 3 3 GLU CA C 13 57.579 0.000 . . . . . . A 3 GLU CA . 30748 1
24 . 1 . 1 3 3 GLU CB C 13 27.993 0.000 . . . . . . A 3 GLU CB . 30748 1
25 . 1 . 1 3 3 GLU CG C 13 33.918 0.000 . . . . . . A 3 GLU CG . 30748 1
26 . 1 . 1 4 4 THR H H 1 7.913 0.001 . . . . . . A 4 THR H . 30748 1
27 . 1 . 1 4 4 THR HA H 1 3.998 0.000 . . . . . . A 4 THR HA . 30748 1
28 . 1 . 1 4 4 THR HB H 1 4.167 0.000 . . . . . . A 4 THR HB . 30748 1
29 . 1 . 1 4 4 THR HG21 H 1 1.204 0.000 . . . . . . A 4 THR HG21 . 30748 1
30 . 1 . 1 4 4 THR HG22 H 1 1.204 0.000 . . . . . . A 4 THR HG22 . 30748 1
31 . 1 . 1 4 4 THR HG23 H 1 1.204 0.000 . . . . . . A 4 THR HG23 . 30748 1
32 . 1 . 1 4 4 THR CA C 13 64.427 0.000 . . . . . . A 4 THR CA . 30748 1
33 . 1 . 1 4 4 THR CB C 13 45.219 23.538 . . . . . . A 4 THR CB . 30748 1
34 . 1 . 1 5 5 GLU H H 1 7.990 0.000 . . . . . . A 5 GLU H . 30748 1
35 . 1 . 1 5 5 GLU HA H 1 4.217 0.000 . . . . . . A 5 GLU HA . 30748 1
36 . 1 . 1 5 5 GLU HB2 H 1 2.123 0.003 . . . . . . A 5 GLU HB2 . 30748 1
37 . 1 . 1 5 5 GLU HB3 H 1 2.123 0.003 . . . . . . A 5 GLU HB3 . 30748 1
38 . 1 . 1 5 5 GLU HG2 H 1 2.399 0.008 . . . . . . A 5 GLU HG2 . 30748 1
39 . 1 . 1 5 5 GLU HG3 H 1 2.399 0.008 . . . . . . A 5 GLU HG3 . 30748 1
40 . 1 . 1 5 5 GLU CA C 13 56.702 0.000 . . . . . . A 5 GLU CA . 30748 1
41 . 1 . 1 5 5 GLU CB C 13 29.293 0.000 . . . . . . A 5 GLU CB . 30748 1
42 . 1 . 1 5 5 GLU CG C 13 33.726 0.000 . . . . . . A 5 GLU CG . 30748 1
43 . 1 . 1 6 6 ILE H H 1 8.041 0.001 . . . . . . A 6 ILE H . 30748 1
44 . 1 . 1 6 6 ILE HA H 1 3.853 0.000 . . . . . . A 6 ILE HA . 30748 1
45 . 1 . 1 6 6 ILE HB H 1 1.798 0.000 . . . . . . A 6 ILE HB . 30748 1
46 . 1 . 1 6 6 ILE HG12 H 1 1.571 0.000 . . . . . . A 6 ILE HG12 . 30748 1
47 . 1 . 1 6 6 ILE HG13 H 1 1.141 0.000 . . . . . . A 6 ILE HG13 . 30748 1
48 . 1 . 1 6 6 ILE HG21 H 1 0.793 0.015 . . . . . . A 6 ILE HG21 . 30748 1
49 . 1 . 1 6 6 ILE HG22 H 1 0.793 0.015 . . . . . . A 6 ILE HG22 . 30748 1
50 . 1 . 1 6 6 ILE HG23 H 1 0.793 0.015 . . . . . . A 6 ILE HG23 . 30748 1
51 . 1 . 1 6 6 ILE HD11 H 1 0.813 0.004 . . . . . . A 6 ILE HD11 . 30748 1
52 . 1 . 1 6 6 ILE HD12 H 1 0.813 0.004 . . . . . . A 6 ILE HD12 . 30748 1
53 . 1 . 1 6 6 ILE HD13 H 1 0.813 0.004 . . . . . . A 6 ILE HD13 . 30748 1
54 . 1 . 1 6 6 ILE CA C 13 64.106 0.000 . . . . . . A 6 ILE CA . 30748 1
55 . 1 . 1 6 6 ILE CB C 13 37.914 0.000 . . . . . . A 6 ILE CB . 30748 1
56 . 1 . 1 7 7 CYS H H 1 8.101 0.000 . . . . . . A 7 CYS H . 30748 1
57 . 1 . 1 7 7 CYS HA H 1 4.708 0.000 . . . . . . A 7 CYS HA . 30748 1
58 . 1 . 1 7 7 CYS HB2 H 1 3.166 0.006 . . . . . . A 7 CYS HB2 . 30748 1
59 . 1 . 1 7 7 CYS HB3 H 1 2.949 0.000 . . . . . . A 7 CYS HB3 . 30748 1
60 . 1 . 1 7 7 CYS CA C 13 52.862 0.000 . . . . . . A 7 CYS CA . 30748 1
61 . 1 . 1 7 7 CYS CB C 13 41.698 0.000 . . . . . . A 7 CYS CB . 30748 1
62 . 1 . 1 8 8 ARG H H 1 8.399 0.003 . . . . . . A 8 ARG H . 30748 1
63 . 1 . 1 8 8 ARG HA H 1 3.975 0.000 . . . . . . A 8 ARG HA . 30748 1
64 . 1 . 1 8 8 ARG HB2 H 1 1.948 0.000 . . . . . . A 8 ARG HB2 . 30748 1
65 . 1 . 1 8 8 ARG HB3 H 1 1.948 0.000 . . . . . . A 8 ARG HB3 . 30748 1
66 . 1 . 1 8 8 ARG HG2 H 1 1.692 0.001 . . . . . . A 8 ARG HG2 . 30748 1
67 . 1 . 1 8 8 ARG HG3 H 1 1.493 0.000 . . . . . . A 8 ARG HG3 . 30748 1
68 . 1 . 1 8 8 ARG HD2 H 1 3.242 0.000 . . . . . . A 8 ARG HD2 . 30748 1
69 . 1 . 1 8 8 ARG HD3 H 1 3.178 0.006 . . . . . . A 8 ARG HD3 . 30748 1
70 . 1 . 1 8 8 ARG HE H 1 7.485 0.003 . . . . . . A 8 ARG HE . 30748 1
71 . 1 . 1 8 8 ARG CA C 13 58.422 0.000 . . . . . . A 8 ARG CA . 30748 1
72 . 1 . 1 8 8 ARG CB C 13 29.711 0.000 . . . . . . A 8 ARG CB . 30748 1
73 . 1 . 1 8 8 ARG CG C 13 27.198 0.000 . . . . . . A 8 ARG CG . 30748 1
74 . 1 . 1 9 9 GLN H H 1 8.011 0.000 . . . . . . A 9 GLN H . 30748 1
75 . 1 . 1 9 9 GLN HA H 1 4.071 0.006 . . . . . . A 9 GLN HA . 30748 1
76 . 1 . 1 9 9 GLN HB2 H 1 2.213 0.014 . . . . . . A 9 GLN HB2 . 30748 1
77 . 1 . 1 9 9 GLN HB3 H 1 2.213 0.014 . . . . . . A 9 GLN HB3 . 30748 1
78 . 1 . 1 9 9 GLN HG2 H 1 2.549 0.010 . . . . . . A 9 GLN HG2 . 30748 1
79 . 1 . 1 9 9 GLN HG3 H 1 2.420 0.002 . . . . . . A 9 GLN HG3 . 30748 1
80 . 1 . 1 9 9 GLN HE21 H 1 7.407 0.000 . . . . . . A 9 GLN HE21 . 30748 1
81 . 1 . 1 9 9 GLN HE22 H 1 6.797 0.002 . . . . . . A 9 GLN HE22 . 30748 1
82 . 1 . 1 9 9 GLN CA C 13 58.732 0.000 . . . . . . A 9 GLN CA . 30748 1
83 . 1 . 1 9 9 GLN CB C 13 28.435 0.000 . . . . . . A 9 GLN CB . 30748 1
84 . 1 . 1 9 9 GLN CG C 13 33.163 0.000 . . . . . . A 9 GLN CG . 30748 1
85 . 1 . 1 10 10 TRP H H 1 8.517 0.000 . . . . . . A 10 TRP H . 30748 1
86 . 1 . 1 10 10 TRP HA H 1 4.354 0.000 . . . . . . A 10 TRP HA . 30748 1
87 . 1 . 1 10 10 TRP HB2 H 1 3.487 0.000 . . . . . . A 10 TRP HB2 . 30748 1
88 . 1 . 1 10 10 TRP HB3 H 1 3.431 0.000 . . . . . . A 10 TRP HB3 . 30748 1
89 . 1 . 1 10 10 TRP HD1 H 1 7.269 0.001 . . . . . . A 10 TRP HD1 . 30748 1
90 . 1 . 1 10 10 TRP HE3 H 1 7.664 0.000 . . . . . . A 10 TRP HE3 . 30748 1
91 . 1 . 1 10 10 TRP CA C 13 56.117 0.000 . . . . . . A 10 TRP CA . 30748 1
92 . 1 . 1 10 10 TRP CB C 13 29.521 0.000 . . . . . . A 10 TRP CB . 30748 1
93 . 1 . 1 11 11 CYS H H 1 8.632 0.002 . . . . . . A 11 CYS H . 30748 1
94 . 1 . 1 11 11 CYS HA H 1 4.247 0.007 . . . . . . A 11 CYS HA . 30748 1
95 . 1 . 1 11 11 CYS HB2 H 1 3.276 0.000 . . . . . . A 11 CYS HB2 . 30748 1
96 . 1 . 1 11 11 CYS HB3 H 1 2.981 0.000 . . . . . . A 11 CYS HB3 . 30748 1
97 . 1 . 1 11 11 CYS CA C 13 55.515 0.000 . . . . . . A 11 CYS CA . 30748 1
98 . 1 . 1 11 11 CYS CB C 13 41.736 0.000 . . . . . . A 11 CYS CB . 30748 1
99 . 1 . 1 12 12 GLN H H 1 8.044 0.001 . . . . . . A 12 GLN H . 30748 1
100 . 1 . 1 12 12 GLN HA H 1 4.030 0.002 . . . . . . A 12 GLN HA . 30748 1
101 . 1 . 1 12 12 GLN HB2 H 1 2.258 0.003 . . . . . . A 12 GLN HB2 . 30748 1
102 . 1 . 1 12 12 GLN HB3 H 1 2.113 0.007 . . . . . . A 12 GLN HB3 . 30748 1
103 . 1 . 1 12 12 GLN HG2 H 1 2.461 0.001 . . . . . . A 12 GLN HG2 . 30748 1
104 . 1 . 1 12 12 GLN HG3 H 1 2.373 0.004 . . . . . . A 12 GLN HG3 . 30748 1
105 . 1 . 1 12 12 GLN CA C 13 58.388 0.000 . . . . . . A 12 GLN CA . 30748 1
106 . 1 . 1 12 12 GLN CB C 13 28.058 0.000 . . . . . . A 12 GLN CB . 30748 1
107 . 1 . 1 12 12 GLN CG C 13 34.579 0.000 . . . . . . A 12 GLN CG . 30748 1
108 . 1 . 1 13 13 VAL H H 1 7.249 0.000 . . . . . . A 13 VAL H . 30748 1
109 . 1 . 1 13 13 VAL HA H 1 3.877 0.000 . . . . . . A 13 VAL HA . 30748 1
110 . 1 . 1 13 13 VAL HB H 1 2.028 0.000 . . . . . . A 13 VAL HB . 30748 1
111 . 1 . 1 13 13 VAL HG21 H 1 0.827 0.000 . . . . . . A 13 VAL HG21 . 30748 1
112 . 1 . 1 13 13 VAL HG22 H 1 0.827 0.000 . . . . . . A 13 VAL HG22 . 30748 1
113 . 1 . 1 13 13 VAL HG23 H 1 0.827 0.000 . . . . . . A 13 VAL HG23 . 30748 1
114 . 1 . 1 13 13 VAL CA C 13 64.003 0.000 . . . . . . A 13 VAL CA . 30748 1
115 . 1 . 1 13 13 VAL CB C 13 32.053 0.000 . . . . . . A 13 VAL CB . 30748 1
116 . 1 . 1 14 14 MET H H 1 7.909 0.000 . . . . . . A 14 MET H . 30748 1
117 . 1 . 1 14 14 MET HA H 1 4.254 0.000 . . . . . . A 14 MET HA . 30748 1
118 . 1 . 1 14 14 MET HB2 H 1 1.627 0.003 . . . . . . A 14 MET HB2 . 30748 1
119 . 1 . 1 14 14 MET HB3 H 1 1.593 0.000 . . . . . . A 14 MET HB3 . 30748 1
120 . 1 . 1 14 14 MET HG2 H 1 2.268 0.000 . . . . . . A 14 MET HG2 . 30748 1
121 . 1 . 1 14 14 MET HG3 H 1 2.268 0.000 . . . . . . A 14 MET HG3 . 30748 1
122 . 1 . 1 14 14 MET CA C 13 58.762 0.000 . . . . . . A 14 MET CA . 30748 1
123 . 1 . 1 14 14 MET CG C 13 34.824 0.000 . . . . . . A 14 MET CG . 30748 1
124 . 1 . 1 15 15 LYS H H 1 7.882 0.000 . . . . . . A 15 LYS H . 30748 1
125 . 1 . 1 15 15 LYS HA H 1 4.883 0.000 . . . . . . A 15 LYS HA . 30748 1
126 . 1 . 1 15 15 LYS HB2 H 1 1.908 0.004 . . . . . . A 15 LYS HB2 . 30748 1
127 . 1 . 1 15 15 LYS HB3 H 1 1.490 0.000 . . . . . . A 15 LYS HB3 . 30748 1
128 . 1 . 1 15 15 LYS HG2 H 1 1.329 0.000 . . . . . . A 15 LYS HG2 . 30748 1
129 . 1 . 1 15 15 LYS HG3 H 1 1.218 0.000 . . . . . . A 15 LYS HG3 . 30748 1
130 . 1 . 1 15 15 LYS CA C 13 52.466 0.000 . . . . . . A 15 LYS CA . 30748 1
131 . 1 . 1 15 15 LYS CB C 13 31.621 0.000 . . . . . . A 15 LYS CB . 30748 1
132 . 1 . 1 15 15 LYS CG C 13 24.168 0.000 . . . . . . A 15 LYS CG . 30748 1
133 . 1 . 1 16 16 PRO HA H 1 4.448 0.000 . . . . . . A 16 PRO HA . 30748 1
134 . 1 . 1 16 16 PRO HB2 H 1 2.338 0.000 . . . . . . A 16 PRO HB2 . 30748 1
135 . 1 . 1 16 16 PRO HB3 H 1 1.941 0.000 . . . . . . A 16 PRO HB3 . 30748 1
136 . 1 . 1 16 16 PRO HG2 H 1 1.991 0.000 . . . . . . A 16 PRO HG2 . 30748 1
137 . 1 . 1 16 16 PRO HG3 H 1 1.991 0.000 . . . . . . A 16 PRO HG3 . 30748 1
138 . 1 . 1 16 16 PRO HD2 H 1 3.597 0.000 . . . . . . A 16 PRO HD2 . 30748 1
139 . 1 . 1 16 16 PRO HD3 H 1 3.487 0.000 . . . . . . A 16 PRO HD3 . 30748 1
140 . 1 . 1 16 16 PRO CA C 13 63.840 0.000 . . . . . . A 16 PRO CA . 30748 1
141 . 1 . 1 16 16 PRO CB C 13 31.793 0.000 . . . . . . A 16 PRO CB . 30748 1
142 . 1 . 1 16 16 PRO CG C 13 27.167 0.000 . . . . . . A 16 PRO CG . 30748 1
143 . 1 . 1 17 17 GLN H H 1 9.086 0.000 . . . . . . A 17 GLN H . 30748 1
144 . 1 . 1 17 17 GLN HA H 1 4.264 0.000 . . . . . . A 17 GLN HA . 30748 1
145 . 1 . 1 17 17 GLN HB2 H 1 2.085 0.000 . . . . . . A 17 GLN HB2 . 30748 1
146 . 1 . 1 17 17 GLN HB3 H 1 2.085 0.000 . . . . . . A 17 GLN HB3 . 30748 1
147 . 1 . 1 17 17 GLN HG2 H 1 2.476 0.000 . . . . . . A 17 GLN HG2 . 30748 1
148 . 1 . 1 17 17 GLN HG3 H 1 2.412 0.000 . . . . . . A 17 GLN HG3 . 30748 1
149 . 1 . 1 17 17 GLN HE21 H 1 7.596 0.000 . . . . . . A 17 GLN HE21 . 30748 1
150 . 1 . 1 17 17 GLN HE22 H 1 6.889 0.005 . . . . . . A 17 GLN HE22 . 30748 1
151 . 1 . 1 17 17 GLN CA C 13 55.377 0.000 . . . . . . A 17 GLN CA . 30748 1
152 . 1 . 1 17 17 GLN CB C 13 27.130 0.000 . . . . . . A 17 GLN CB . 30748 1
153 . 1 . 1 17 17 GLN CG C 13 31.989 0.000 . . . . . . A 17 GLN CG . 30748 1
154 . 1 . 1 18 18 GLY H H 1 7.946 0.007 . . . . . . A 18 GLY H . 30748 1
155 . 1 . 1 18 18 GLY HA2 H 1 4.161 0.000 . . . . . . A 18 GLY HA2 . 30748 1
156 . 1 . 1 18 18 GLY HA3 H 1 3.784 0.000 . . . . . . A 18 GLY HA3 . 30748 1
157 . 1 . 1 18 18 GLY CA C 13 45.085 0.000 . . . . . . A 18 GLY CA . 30748 1
158 . 1 . 1 19 19 GLY H H 1 8.574 0.000 . . . . . . A 19 GLY H . 30748 1
159 . 1 . 1 19 19 GLY HA2 H 1 4.102 0.008 . . . . . . A 19 GLY HA2 . 30748 1
160 . 1 . 1 19 19 GLY HA3 H 1 3.900 0.000 . . . . . . A 19 GLY HA3 . 30748 1
161 . 1 . 1 19 19 GLY CA C 13 45.749 0.000 . . . . . . A 19 GLY CA . 30748 1
162 . 1 . 1 20 20 GLU H H 1 8.887 0.000 . . . . . . A 20 GLU H . 30748 1
163 . 1 . 1 20 20 GLU HA H 1 4.114 0.000 . . . . . . A 20 GLU HA . 30748 1
164 . 1 . 1 20 20 GLU HB2 H 1 2.122 0.000 . . . . . . A 20 GLU HB2 . 30748 1
165 . 1 . 1 20 20 GLU HB3 H 1 2.052 0.000 . . . . . . A 20 GLU HB3 . 30748 1
166 . 1 . 1 20 20 GLU HG2 H 1 2.411 0.003 . . . . . . A 20 GLU HG2 . 30748 1
167 . 1 . 1 20 20 GLU HG3 H 1 2.411 0.003 . . . . . . A 20 GLU HG3 . 30748 1
168 . 1 . 1 20 20 GLU CA C 13 58.268 0.000 . . . . . . A 20 GLU CA . 30748 1
169 . 1 . 1 20 20 GLU CB C 13 28.405 0.000 . . . . . . A 20 GLU CB . 30748 1
170 . 1 . 1 20 20 GLU CG C 13 33.709 0.000 . . . . . . A 20 GLU CG . 30748 1
171 . 1 . 1 21 21 GLU H H 1 8.915 0.000 . . . . . . A 21 GLU H . 30748 1
172 . 1 . 1 21 21 GLU HA H 1 4.060 0.006 . . . . . . A 21 GLU HA . 30748 1
173 . 1 . 1 21 21 GLU HB2 H 1 2.100 0.003 . . . . . . A 21 GLU HB2 . 30748 1
174 . 1 . 1 21 21 GLU HB3 H 1 1.970 0.000 . . . . . . A 21 GLU HB3 . 30748 1
175 . 1 . 1 21 21 GLU HG2 H 1 2.459 0.000 . . . . . . A 21 GLU HG2 . 30748 1
176 . 1 . 1 21 21 GLU HG3 H 1 2.404 0.008 . . . . . . A 21 GLU HG3 . 30748 1
177 . 1 . 1 21 21 GLU CA C 13 58.440 0.000 . . . . . . A 21 GLU CA . 30748 1
178 . 1 . 1 21 21 GLU CB C 13 27.938 0.000 . . . . . . A 21 GLU CB . 30748 1
179 . 1 . 1 22 22 GLN H H 1 8.106 0.000 . . . . . . A 22 GLN H . 30748 1
180 . 1 . 1 22 22 GLN HA H 1 4.055 0.005 . . . . . . A 22 GLN HA . 30748 1
181 . 1 . 1 22 22 GLN HB2 H 1 2.126 0.014 . . . . . . A 22 GLN HB2 . 30748 1
182 . 1 . 1 22 22 GLN HB3 H 1 2.126 0.014 . . . . . . A 22 GLN HB3 . 30748 1
183 . 1 . 1 22 22 GLN HG2 H 1 2.219 0.007 . . . . . . A 22 GLN HG2 . 30748 1
184 . 1 . 1 22 22 GLN HG3 H 1 2.219 0.007 . . . . . . A 22 GLN HG3 . 30748 1
185 . 1 . 1 22 22 GLN CA C 13 58.526 0.000 . . . . . . A 22 GLN CA . 30748 1
186 . 1 . 1 22 22 GLN CG C 13 34.077 0.000 . . . . . . A 22 GLN CG . 30748 1
187 . 1 . 1 23 23 ARG H H 1 7.962 0.000 . . . . . . A 23 ARG H . 30748 1
188 . 1 . 1 23 23 ARG HA H 1 4.075 0.000 . . . . . . A 23 ARG HA . 30748 1
189 . 1 . 1 23 23 ARG HB2 H 1 1.911 0.007 . . . . . . A 23 ARG HB2 . 30748 1
190 . 1 . 1 23 23 ARG HB3 H 1 1.911 0.007 . . . . . . A 23 ARG HB3 . 30748 1
191 . 1 . 1 23 23 ARG HG2 H 1 1.750 0.008 . . . . . . A 23 ARG HG2 . 30748 1
192 . 1 . 1 23 23 ARG HG3 H 1 1.586 0.000 . . . . . . A 23 ARG HG3 . 30748 1
193 . 1 . 1 23 23 ARG HD2 H 1 3.232 0.009 . . . . . . A 23 ARG HD2 . 30748 1
194 . 1 . 1 23 23 ARG HD3 H 1 3.232 0.009 . . . . . . A 23 ARG HD3 . 30748 1
195 . 1 . 1 23 23 ARG HE H 1 7.451 0.001 . . . . . . A 23 ARG HE . 30748 1
196 . 1 . 1 23 23 ARG CA C 13 58.853 0.000 . . . . . . A 23 ARG CA . 30748 1
197 . 1 . 1 23 23 ARG CB C 13 29.699 0.000 . . . . . . A 23 ARG CB . 30748 1
198 . 1 . 1 23 23 ARG CG C 13 27.319 0.000 . . . . . . A 23 ARG CG . 30748 1
199 . 1 . 1 24 24 ARG H H 1 8.484 0.007 . . . . . . A 24 ARG H . 30748 1
200 . 1 . 1 24 24 ARG HA H 1 4.128 0.004 . . . . . . A 24 ARG HA . 30748 1
201 . 1 . 1 24 24 ARG HB2 H 1 1.902 0.001 . . . . . . A 24 ARG HB2 . 30748 1
202 . 1 . 1 24 24 ARG HB3 H 1 1.902 0.001 . . . . . . A 24 ARG HB3 . 30748 1
203 . 1 . 1 24 24 ARG HG2 H 1 1.761 0.005 . . . . . . A 24 ARG HG2 . 30748 1
204 . 1 . 1 24 24 ARG HG3 H 1 1.632 0.002 . . . . . . A 24 ARG HG3 . 30748 1
205 . 1 . 1 24 24 ARG HD2 H 1 3.215 0.005 . . . . . . A 24 ARG HD2 . 30748 1
206 . 1 . 1 24 24 ARG HD3 H 1 3.215 0.005 . . . . . . A 24 ARG HD3 . 30748 1
207 . 1 . 1 24 24 ARG HE H 1 7.399 0.000 . . . . . . A 24 ARG HE . 30748 1
208 . 1 . 1 24 24 ARG CA C 13 57.614 0.000 . . . . . . A 24 ARG CA . 30748 1
209 . 1 . 1 24 24 ARG CB C 13 28.443 0.000 . . . . . . A 24 ARG CB . 30748 1
210 . 1 . 1 24 24 ARG CG C 13 27.095 0.000 . . . . . . A 24 ARG CG . 30748 1
211 . 1 . 1 25 25 CYS H H 1 7.769 0.001 . . . . . . A 25 CYS H . 30748 1
212 . 1 . 1 25 25 CYS HA H 1 4.299 0.003 . . . . . . A 25 CYS HA . 30748 1
213 . 1 . 1 25 25 CYS HB2 H 1 3.605 0.000 . . . . . . A 25 CYS HB2 . 30748 1
214 . 1 . 1 25 25 CYS HB3 H 1 3.129 0.000 . . . . . . A 25 CYS HB3 . 30748 1
215 . 1 . 1 25 25 CYS CA C 13 56.375 0.000 . . . . . . A 25 CYS CA . 30748 1
216 . 1 . 1 25 25 CYS CB C 13 43.157 0.000 . . . . . . A 25 CYS CB . 30748 1
217 . 1 . 1 26 26 GLN H H 1 8.384 0.003 . . . . . . A 26 GLN H . 30748 1
218 . 1 . 1 26 26 GLN HA H 1 3.744 0.000 . . . . . . A 26 GLN HA . 30748 1
219 . 1 . 1 26 26 GLN HB2 H 1 2.282 0.003 . . . . . . A 26 GLN HB2 . 30748 1
220 . 1 . 1 26 26 GLN HB3 H 1 2.175 0.005 . . . . . . A 26 GLN HB3 . 30748 1
221 . 1 . 1 26 26 GLN HG2 H 1 2.417 0.002 . . . . . . A 26 GLN HG2 . 30748 1
222 . 1 . 1 26 26 GLN HE21 H 1 7.773 0.000 . . . . . . A 26 GLN HE21 . 30748 1
223 . 1 . 1 26 26 GLN CB C 13 28.125 0.000 . . . . . . A 26 GLN CB . 30748 1
224 . 1 . 1 27 27 GLN H H 1 8.069 0.001 . . . . . . A 27 GLN H . 30748 1
225 . 1 . 1 27 27 GLN HA H 1 4.071 0.006 . . . . . . A 27 GLN HA . 30748 1
226 . 1 . 1 27 27 GLN HB2 H 1 2.236 0.000 . . . . . . A 27 GLN HB2 . 30748 1
227 . 1 . 1 27 27 GLN HB3 H 1 2.155 0.006 . . . . . . A 27 GLN HB3 . 30748 1
228 . 1 . 1 27 27 GLN HG2 H 1 2.532 0.000 . . . . . . A 27 GLN HG2 . 30748 1
229 . 1 . 1 27 27 GLN HG3 H 1 2.396 0.003 . . . . . . A 27 GLN HG3 . 30748 1
230 . 1 . 1 27 27 GLN HE21 H 1 7.478 0.009 . . . . . . A 27 GLN HE21 . 30748 1
231 . 1 . 1 27 27 GLN HE22 H 1 6.797 0.000 . . . . . . A 27 GLN HE22 . 30748 1
232 . 1 . 1 27 27 GLN CA C 13 58.546 0.000 . . . . . . A 27 GLN CA . 30748 1
233 . 1 . 1 27 27 GLN CB C 13 28.283 0.000 . . . . . . A 27 GLN CB . 30748 1
234 . 1 . 1 27 27 GLN CG C 13 34.289 0.000 . . . . . . A 27 GLN CG . 30748 1
235 . 1 . 1 28 28 GLU H H 1 8.312 0.000 . . . . . . A 28 GLU H . 30748 1
236 . 1 . 1 28 28 GLU HA H 1 4.055 0.003 . . . . . . A 28 GLU HA . 30748 1
237 . 1 . 1 28 28 GLU HB2 H 1 2.227 0.000 . . . . . . A 28 GLU HB2 . 30748 1
238 . 1 . 1 28 28 GLU HB3 H 1 2.109 0.006 . . . . . . A 28 GLU HB3 . 30748 1
239 . 1 . 1 28 28 GLU HG2 H 1 2.602 0.006 . . . . . . A 28 GLU HG2 . 30748 1
240 . 1 . 1 28 28 GLU HG3 H 1 2.409 0.007 . . . . . . A 28 GLU HG3 . 30748 1
241 . 1 . 1 28 28 GLU CA C 13 58.698 0.000 . . . . . . A 28 GLU CA . 30748 1
242 . 1 . 1 28 28 GLU CB C 13 28.228 0.000 . . . . . . A 28 GLU CB . 30748 1
243 . 1 . 1 28 28 GLU CG C 13 33.189 0.000 . . . . . . A 28 GLU CG . 30748 1
244 . 1 . 1 29 29 CYS H H 1 8.470 0.008 . . . . . . A 29 CYS H . 30748 1
245 . 1 . 1 29 29 CYS HA H 1 4.120 0.000 . . . . . . A 29 CYS HA . 30748 1
246 . 1 . 1 29 29 CYS HB2 H 1 3.327 0.000 . . . . . . A 29 CYS HB2 . 30748 1
247 . 1 . 1 29 29 CYS HB3 H 1 3.153 0.000 . . . . . . A 29 CYS HB3 . 30748 1
248 . 1 . 1 29 29 CYS CA C 13 58.509 0.000 . . . . . . A 29 CYS CA . 30748 1
249 . 1 . 1 29 29 CYS CB C 13 43.119 0.000 . . . . . . A 29 CYS CB . 30748 1
250 . 1 . 1 30 30 GLU H H 1 8.389 0.002 . . . . . . A 30 GLU H . 30748 1
251 . 1 . 1 30 30 GLU HA H 1 3.848 0.000 . . . . . . A 30 GLU HA . 30748 1
252 . 1 . 1 30 30 GLU HB2 H 1 2.171 0.000 . . . . . . A 30 GLU HB2 . 30748 1
253 . 1 . 1 30 30 GLU HB3 H 1 2.094 0.000 . . . . . . A 30 GLU HB3 . 30748 1
254 . 1 . 1 30 30 GLU HG2 H 1 2.690 0.000 . . . . . . A 30 GLU HG2 . 30748 1
255 . 1 . 1 30 30 GLU HG3 H 1 2.235 0.000 . . . . . . A 30 GLU HG3 . 30748 1
256 . 1 . 1 30 30 GLU CB C 13 27.752 0.000 . . . . . . A 30 GLU CB . 30748 1
257 . 1 . 1 30 30 GLU CG C 13 34.242 0.000 . . . . . . A 30 GLU CG . 30748 1
258 . 1 . 1 31 31 GLU H H 1 7.799 0.000 . . . . . . A 31 GLU H . 30748 1
259 . 1 . 1 31 31 GLU HA H 1 4.094 0.000 . . . . . . A 31 GLU HA . 30748 1
260 . 1 . 1 31 31 GLU HB2 H 1 2.179 0.000 . . . . . . A 31 GLU HB2 . 30748 1
261 . 1 . 1 31 31 GLU HB3 H 1 2.179 0.000 . . . . . . A 31 GLU HB3 . 30748 1
262 . 1 . 1 31 31 GLU HG2 H 1 2.596 0.000 . . . . . . A 31 GLU HG2 . 30748 1
263 . 1 . 1 31 31 GLU HG3 H 1 2.490 0.000 . . . . . . A 31 GLU HG3 . 30748 1
264 . 1 . 1 31 31 GLU CA C 13 58.801 0.000 . . . . . . A 31 GLU CA . 30748 1
265 . 1 . 1 31 31 GLU CB C 13 28.070 0.000 . . . . . . A 31 GLU CB . 30748 1
266 . 1 . 1 31 31 GLU CG C 13 33.696 0.000 . . . . . . A 31 GLU CG . 30748 1
267 . 1 . 1 32 32 ARG H H 1 7.690 0.006 . . . . . . A 32 ARG H . 30748 1
268 . 1 . 1 32 32 ARG HA H 1 4.195 0.000 . . . . . . A 32 ARG HA . 30748 1
269 . 1 . 1 32 32 ARG HB2 H 1 1.901 0.000 . . . . . . A 32 ARG HB2 . 30748 1
270 . 1 . 1 32 32 ARG HB3 H 1 1.901 0.000 . . . . . . A 32 ARG HB3 . 30748 1
271 . 1 . 1 32 32 ARG HG2 H 1 1.733 0.000 . . . . . . A 32 ARG HG2 . 30748 1
272 . 1 . 1 32 32 ARG HG3 H 1 1.637 0.004 . . . . . . A 32 ARG HG3 . 30748 1
273 . 1 . 1 32 32 ARG HD2 H 1 3.169 0.000 . . . . . . A 32 ARG HD2 . 30748 1
274 . 1 . 1 32 32 ARG HD3 H 1 3.169 0.000 . . . . . . A 32 ARG HD3 . 30748 1
275 . 1 . 1 32 32 ARG HE H 1 7.184 0.000 . . . . . . A 32 ARG HE . 30748 1
276 . 1 . 1 32 32 ARG CA C 13 57.545 0.000 . . . . . . A 32 ARG CA . 30748 1
277 . 1 . 1 32 32 ARG CB C 13 28.546 0.000 . . . . . . A 32 ARG CB . 30748 1
278 . 1 . 1 32 32 ARG CG C 13 27.233 0.000 . . . . . . A 32 ARG CG . 30748 1
279 . 1 . 1 33 33 LEU H H 1 7.772 0.000 . . . . . . A 33 LEU H . 30748 1
280 . 1 . 1 33 33 LEU HA H 1 4.255 0.000 . . . . . . A 33 LEU HA . 30748 1
281 . 1 . 1 33 33 LEU HB2 H 1 1.681 0.004 . . . . . . A 33 LEU HB2 . 30748 1
282 . 1 . 1 33 33 LEU HB3 H 1 1.547 0.000 . . . . . . A 33 LEU HB3 . 30748 1
283 . 1 . 1 33 33 LEU HD11 H 1 0.818 0.000 . . . . . . A 33 LEU HD11 . 30748 1
284 . 1 . 1 33 33 LEU HD12 H 1 0.818 0.000 . . . . . . A 33 LEU HD12 . 30748 1
285 . 1 . 1 33 33 LEU HD13 H 1 0.818 0.000 . . . . . . A 33 LEU HD13 . 30748 1
286 . 1 . 1 33 33 LEU HD21 H 1 0.762 0.000 . . . . . . A 33 LEU HD21 . 30748 1
287 . 1 . 1 33 33 LEU HD22 H 1 0.762 0.000 . . . . . . A 33 LEU HD22 . 30748 1
288 . 1 . 1 33 33 LEU HD23 H 1 0.762 0.000 . . . . . . A 33 LEU HD23 . 30748 1
289 . 1 . 1 33 33 LEU CA C 13 56.220 0.000 . . . . . . A 33 LEU CA . 30748 1
290 . 1 . 1 34 34 ARG H H 1 7.699 0.000 . . . . . . A 34 ARG H . 30748 1
291 . 1 . 1 34 34 ARG HA H 1 4.295 0.000 . . . . . . A 34 ARG HA . 30748 1
292 . 1 . 1 34 34 ARG HB2 H 1 1.910 0.007 . . . . . . A 34 ARG HB2 . 30748 1
293 . 1 . 1 34 34 ARG HB3 H 1 1.836 0.000 . . . . . . A 34 ARG HB3 . 30748 1
294 . 1 . 1 34 34 ARG HG2 H 1 1.689 0.000 . . . . . . A 34 ARG HG2 . 30748 1
295 . 1 . 1 34 34 ARG HG3 H 1 1.647 0.000 . . . . . . A 34 ARG HG3 . 30748 1
296 . 1 . 1 34 34 ARG HD2 H 1 3.193 0.000 . . . . . . A 34 ARG HD2 . 30748 1
297 . 1 . 1 34 34 ARG HD3 H 1 3.193 0.000 . . . . . . A 34 ARG HD3 . 30748 1
298 . 1 . 1 34 34 ARG HE H 1 7.222 0.003 . . . . . . A 34 ARG HE . 30748 1
299 . 1 . 1 34 34 ARG CA C 13 57.321 0.000 . . . . . . A 34 ARG CA . 30748 1
300 . 1 . 1 34 34 ARG CB C 13 30.416 0.000 . . . . . . A 34 ARG CB . 30748 1
301 . 1 . 1 34 34 ARG CG C 13 26.872 0.000 . . . . . . A 34 ARG CG . 30748 1
302 . 1 . 1 35 35 ASP H H 1 7.917 0.001 . . . . . . A 35 ASP H . 30748 1
303 . 1 . 1 35 35 ASP HA H 1 4.560 0.000 . . . . . . A 35 ASP HA . 30748 1
304 . 1 . 1 35 35 ASP HB2 H 1 2.862 0.000 . . . . . . A 35 ASP HB2 . 30748 1
305 . 1 . 1 35 35 ASP HB3 H 1 2.796 0.000 . . . . . . A 35 ASP HB3 . 30748 1
306 . 1 . 1 35 35 ASP CA C 13 52.862 0.000 . . . . . . A 35 ASP CA . 30748 1
stop_
save_