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 34335
_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' . . . 34335 1
2 '3D HNCA' . . . 34335 1
3 '3D HN(CO)CA' . . . 34335 1
4 '3D HNCO' . . . 34335 1
5 '3D HN(CA)CO' . . . 34335 1
6 '3D CBCA(CO)NH' . . . 34335 1
7 '2D 1H-1H TOCSY' . . . 34335 1
8 '2D 1H-1H NOESY' . . . 34335 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 1 1 GLY CA C 13 43.388 0.073 . 1 . . . . A 1 GLY CA . 34335 1
2 . 1 1 2 2 ALA H H 1 8.566 0.011 . 1 . . . . A 2 ALA H . 34335 1
3 . 1 1 2 2 ALA HA H 1 4.309 0.001 . 1 . . . . A 2 ALA HA . 34335 1
4 . 1 1 2 2 ALA HB1 H 1 1.331 0.000 . 1 . . . . A 2 ALA HB1 . 34335 1
5 . 1 1 2 2 ALA HB2 H 1 1.331 0.000 . 1 . . . . A 2 ALA HB2 . 34335 1
6 . 1 1 2 2 ALA HB3 H 1 1.331 0.000 . 1 . . . . A 2 ALA HB3 . 34335 1
7 . 1 1 2 2 ALA C C 13 177.760 0.014 . 1 . . . . A 2 ALA C . 34335 1
8 . 1 1 2 2 ALA CA C 13 52.572 0.093 . 1 . . . . A 2 ALA CA . 34335 1
9 . 1 1 2 2 ALA CB C 13 19.423 0.051 . 1 . . . . A 2 ALA CB . 34335 1
10 . 1 1 2 2 ALA N N 15 123.719 0.075 . 1 . . . . A 2 ALA N . 34335 1
11 . 1 1 3 3 MET H H 1 8.444 0.003 . 1 . . . . A 3 MET H . 34335 1
12 . 1 1 3 3 MET HA H 1 4.449 0.003 . 1 . . . . A 3 MET HA . 34335 1
13 . 1 1 3 3 MET HB2 H 1 1.911 0.001 . 2 . . . . A 3 MET HB2 . 34335 1
14 . 1 1 3 3 MET HB3 H 1 1.944 0.003 . 2 . . . . A 3 MET HB3 . 34335 1
15 . 1 1 3 3 MET HG2 H 1 2.442 0.003 . 2 . . . . A 3 MET HG2 . 34335 1
16 . 1 1 3 3 MET HE1 H 1 1.983 0.000 . 1 . . . . A 3 MET HE1 . 34335 1
17 . 1 1 3 3 MET HE2 H 1 1.983 0.000 . 1 . . . . A 3 MET HE2 . 34335 1
18 . 1 1 3 3 MET HE3 H 1 1.983 0.000 . 1 . . . . A 3 MET HE3 . 34335 1
19 . 1 1 3 3 MET C C 13 176.639 0.002 . 1 . . . . A 3 MET C . 34335 1
20 . 1 1 3 3 MET CA C 13 55.224 0.058 . 1 . . . . A 3 MET CA . 34335 1
21 . 1 1 3 3 MET CB C 13 32.949 0.000 . 1 . . . . A 3 MET CB . 34335 1
22 . 1 1 3 3 MET CE C 13 16.946 0.000 . 1 . . . . A 3 MET CE . 34335 1
23 . 1 1 3 3 MET N N 15 119.494 0.049 . 1 . . . . A 3 MET N . 34335 1
24 . 1 1 4 4 GLY H H 1 8.322 0.002 . 1 . . . . A 4 GLY H . 34335 1
25 . 1 1 4 4 GLY HA2 H 1 3.899 0.003 . 2 . . . . A 4 GLY HA2 . 34335 1
26 . 1 1 4 4 GLY HA3 H 1 3.982 0.006 . 2 . . . . A 4 GLY HA3 . 34335 1
27 . 1 1 4 4 GLY C C 13 173.279 0.003 . 1 . . . . A 4 GLY C . 34335 1
28 . 1 1 4 4 GLY CA C 13 45.242 0.088 . 1 . . . . A 4 GLY CA . 34335 1
29 . 1 1 4 4 GLY N N 15 109.739 0.043 . 1 . . . . A 4 GLY N . 34335 1
30 . 1 1 5 5 ASN H H 1 8.282 0.006 . 1 . . . . A 5 ASN H . 34335 1
31 . 1 1 5 5 ASN HA H 1 5.032 0.003 . 1 . . . . A 5 ASN HA . 34335 1
32 . 1 1 5 5 ASN HB2 H 1 2.624 0.029 . 2 . . . . A 5 ASN HB2 . 34335 1
33 . 1 1 5 5 ASN HB3 H 1 2.580 0.004 . 2 . . . . A 5 ASN HB3 . 34335 1
34 . 1 1 5 5 ASN HD21 H 1 6.811 0.003 . 2 . . . . A 5 ASN HD21 . 34335 1
35 . 1 1 5 5 ASN HD22 H 1 7.358 0.002 . 2 . . . . A 5 ASN HD22 . 34335 1
36 . 1 1 5 5 ASN C C 13 175.342 0.000 . 1 . . . . A 5 ASN C . 34335 1
37 . 1 1 5 5 ASN CA C 13 52.887 0.046 . 1 . . . . A 5 ASN CA . 34335 1
38 . 1 1 5 5 ASN N N 15 118.520 0.016 . 1 . . . . A 5 ASN N . 34335 1
39 . 1 1 5 5 ASN ND2 N 15 111.897 0.000 . 1 . . . . A 5 ASN ND2 . 34335 1
40 . 1 1 6 6 VAL HA H 1 4.446 0.005 . 1 . . . . A 6 VAL HA . 34335 1
41 . 1 1 6 6 VAL HB H 1 2.130 0.001 . 1 . . . . A 6 VAL HB . 34335 1
42 . 1 1 6 6 VAL HG11 H 1 0.970 0.004 . 2 . . . . A 6 VAL HG11 . 34335 1
43 . 1 1 6 6 VAL HG12 H 1 0.970 0.004 . 2 . . . . A 6 VAL HG12 . 34335 1
44 . 1 1 6 6 VAL HG13 H 1 0.970 0.004 . 2 . . . . A 6 VAL HG13 . 34335 1
45 . 1 1 6 6 VAL HG21 H 1 0.846 0.002 . 2 . . . . A 6 VAL HG21 . 34335 1
46 . 1 1 6 6 VAL HG22 H 1 0.846 0.002 . 2 . . . . A 6 VAL HG22 . 34335 1
47 . 1 1 6 6 VAL HG23 H 1 0.846 0.002 . 2 . . . . A 6 VAL HG23 . 34335 1
48 . 1 1 6 6 VAL CA C 13 60.066 0.000 . 1 . . . . A 6 VAL CA . 34335 1
49 . 1 1 6 6 VAL CG1 C 13 21.862 0.000 . 2 . . . . A 6 VAL CG1 . 34335 1
50 . 1 1 6 6 VAL CG2 C 13 19.512 0.000 . 2 . . . . A 6 VAL CG2 . 34335 1
51 . 1 1 7 7 ASN H H 1 8.529 0.002 . 1 . . . . A 7 ASN H . 34335 1
52 . 1 1 7 7 ASN HA H 1 4.478 0.003 . 1 . . . . A 7 ASN HA . 34335 1
53 . 1 1 7 7 ASN HB2 H 1 2.664 0.027 . 2 . . . . A 7 ASN HB2 . 34335 1
54 . 1 1 7 7 ASN HB3 H 1 2.614 0.003 . 2 . . . . A 7 ASN HB3 . 34335 1
55 . 1 1 7 7 ASN HD21 H 1 7.421 0.004 . 2 . . . . A 7 ASN HD21 . 34335 1
56 . 1 1 7 7 ASN HD22 H 1 6.778 0.003 . 2 . . . . A 7 ASN HD22 . 34335 1
57 . 1 1 7 7 ASN CA C 13 53.857 0.000 . 1 . . . . A 7 ASN CA . 34335 1
58 . 1 1 7 7 ASN ND2 N 15 111.203 0.209 . 1 . . . . A 7 ASN ND2 . 34335 1
59 . 1 1 8 8 CYS H H 1 9.008 0.005 . 1 . . . . A 8 CYS H . 34335 1
60 . 1 1 8 8 CYS HA H 1 4.869 0.009 . 1 . . . . A 8 CYS HA . 34335 1
61 . 1 1 8 8 CYS HB2 H 1 2.418 0.006 . 2 . . . . A 8 CYS HB2 . 34335 1
62 . 1 1 8 8 CYS HB3 H 1 3.173 0.004 . 2 . . . . A 8 CYS HB3 . 34335 1
63 . 1 1 8 8 CYS CA C 13 54.465 0.000 . 1 . . . . A 8 CYS CA . 34335 1
64 . 1 1 8 8 CYS N N 15 127.018 0.000 . 1 . . . . A 8 CYS N . 34335 1
65 . 1 1 9 9 GLY H H 1 9.160 0.044 . 1 . . . . A 9 GLY H . 34335 1
66 . 1 1 9 9 GLY HA2 H 1 3.930 0.001 . 2 . . . . A 9 GLY HA2 . 34335 1
67 . 1 1 9 9 GLY HA3 H 1 3.857 0.006 . 2 . . . . A 9 GLY HA3 . 34335 1
68 . 1 1 9 9 GLY C C 13 175.018 0.003 . 1 . . . . A 9 GLY C . 34335 1
69 . 1 1 9 9 GLY CA C 13 47.408 0.047 . 1 . . . . A 9 GLY CA . 34335 1
70 . 1 1 9 9 GLY N N 15 117.689 0.034 . 1 . . . . A 9 GLY N . 34335 1
71 . 1 1 10 10 GLY H H 1 7.829 0.003 . 1 . . . . A 10 GLY H . 34335 1
72 . 1 1 10 10 GLY HA2 H 1 4.330 0.005 . 2 . . . . A 10 GLY HA2 . 34335 1
73 . 1 1 10 10 GLY HA3 H 1 3.652 0.004 . 2 . . . . A 10 GLY HA3 . 34335 1
74 . 1 1 10 10 GLY C C 13 173.931 0.016 . 1 . . . . A 10 GLY C . 34335 1
75 . 1 1 10 10 GLY CA C 13 44.931 0.048 . 1 . . . . A 10 GLY CA . 34335 1
76 . 1 1 10 10 GLY N N 15 104.431 0.019 . 1 . . . . A 10 GLY N . 34335 1
77 . 1 1 11 11 VAL H H 1 7.222 0.012 . 1 . . . . A 11 VAL H . 34335 1
78 . 1 1 11 11 VAL HA H 1 4.736 0.008 . 1 . . . . A 11 VAL HA . 34335 1
79 . 1 1 11 11 VAL HB H 1 2.166 0.002 . 1 . . . . A 11 VAL HB . 34335 1
80 . 1 1 11 11 VAL HG11 H 1 0.889 0.001 . 2 . . . . A 11 VAL HG11 . 34335 1
81 . 1 1 11 11 VAL HG12 H 1 0.889 0.001 . 2 . . . . A 11 VAL HG12 . 34335 1
82 . 1 1 11 11 VAL HG13 H 1 0.889 0.001 . 2 . . . . A 11 VAL HG13 . 34335 1
83 . 1 1 11 11 VAL HG21 H 1 0.944 0.002 . 2 . . . . A 11 VAL HG21 . 34335 1
84 . 1 1 11 11 VAL HG22 H 1 0.944 0.002 . 2 . . . . A 11 VAL HG22 . 34335 1
85 . 1 1 11 11 VAL HG23 H 1 0.944 0.002 . 2 . . . . A 11 VAL HG23 . 34335 1
86 . 1 1 11 11 VAL C C 13 173.235 0.000 . 1 . . . . A 11 VAL C . 34335 1
87 . 1 1 11 11 VAL CA C 13 58.264 0.063 . 1 . . . . A 11 VAL CA . 34335 1
88 . 1 1 11 11 VAL CG1 C 13 19.618 0.000 . 2 . . . . A 11 VAL CG1 . 34335 1
89 . 1 1 11 11 VAL CG2 C 13 20.961 0.000 . 2 . . . . A 11 VAL CG2 . 34335 1
90 . 1 1 11 11 VAL N N 15 117.360 0.048 . 1 . . . . A 11 VAL N . 34335 1
91 . 1 1 12 12 PRO HA H 1 4.559 0.003 . 1 . . . . A 12 PRO HA . 34335 1
92 . 1 1 12 12 PRO HB2 H 1 2.153 0.006 . 2 . . . . A 12 PRO HB2 . 34335 1
93 . 1 1 12 12 PRO HB3 H 1 2.084 0.003 . 2 . . . . A 12 PRO HB3 . 34335 1
94 . 1 1 12 12 PRO HG2 H 1 1.911 0.002 . 2 . . . . A 12 PRO HG2 . 34335 1
95 . 1 1 12 12 PRO HG3 H 1 1.808 0.002 . 2 . . . . A 12 PRO HG3 . 34335 1
96 . 1 1 12 12 PRO HD2 H 1 3.791 0.005 . 2 . . . . A 12 PRO HD2 . 34335 1
97 . 1 1 12 12 PRO HD3 H 1 3.660 0.002 . 2 . . . . A 12 PRO HD3 . 34335 1
98 . 1 1 12 12 PRO C C 13 176.552 0.000 . 1 . . . . A 12 PRO C . 34335 1
99 . 1 1 12 12 PRO CA C 13 63.105 0.103 . 1 . . . . A 12 PRO CA . 34335 1
100 . 1 1 12 12 PRO CD C 13 50.907 0.009 . 1 . . . . A 12 PRO CD . 34335 1
101 . 1 1 13 13 CYS H H 1 8.761 0.003 . 1 . . . . A 13 CYS H . 34335 1
102 . 1 1 13 13 CYS HA H 1 4.804 0.000 . 1 . . . . A 13 CYS HA . 34335 1
103 . 1 1 13 13 CYS HB2 H 1 2.727 0.001 . 2 . . . . A 13 CYS HB2 . 34335 1
104 . 1 1 13 13 CYS C C 13 172.827 0.000 . 1 . . . . A 13 CYS C . 34335 1
105 . 1 1 13 13 CYS CA C 13 54.644 0.025 . 1 . . . . A 13 CYS CA . 34335 1
106 . 1 1 13 13 CYS N N 15 122.810 0.064 . 1 . . . . A 13 CYS N . 34335 1
107 . 1 1 14 14 LYS H H 1 8.507 0.001 . 1 . . . . A 14 LYS H . 34335 1
108 . 1 1 14 14 LYS HA H 1 4.253 0.009 . 1 . . . . A 14 LYS HA . 34335 1
109 . 1 1 14 14 LYS HB2 H 1 1.671 0.001 . 2 . . . . A 14 LYS HB2 . 34335 1
110 . 1 1 14 14 LYS HG2 H 1 1.539 0.003 . 2 . . . . A 14 LYS HG2 . 34335 1
111 . 1 1 14 14 LYS HD2 H 1 1.728 0.000 . 2 . . . . A 14 LYS HD2 . 34335 1
112 . 1 1 14 14 LYS HE2 H 1 3.040 0.000 . 2 . . . . A 14 LYS HE2 . 34335 1
113 . 1 1 14 14 LYS CA C 13 58.140 0.000 . 1 . . . . A 14 LYS CA . 34335 1
114 . 1 1 15 15 PHE HA H 1 4.017 0.006 . 1 . . . . A 15 PHE HA . 34335 1
115 . 1 1 15 15 PHE HB2 H 1 3.100 0.003 . 2 . . . . A 15 PHE HB2 . 34335 1
116 . 1 1 15 15 PHE HB3 H 1 2.951 0.003 . 2 . . . . A 15 PHE HB3 . 34335 1
117 . 1 1 15 15 PHE HD1 H 1 7.193 0.002 . 3 . . . . A 15 PHE HD1 . 34335 1
118 . 1 1 15 15 PHE HD2 H 1 7.193 0.002 . 3 . . . . A 15 PHE HD2 . 34335 1
119 . 1 1 15 15 PHE HE1 H 1 7.359 0.003 . 3 . . . . A 15 PHE HE1 . 34335 1
120 . 1 1 15 15 PHE HE2 H 1 7.359 0.003 . 3 . . . . A 15 PHE HE2 . 34335 1
121 . 1 1 15 15 PHE HZ H 1 7.327 0.002 . 1 . . . . A 15 PHE HZ . 34335 1
122 . 1 1 16 16 GLY HA2 H 1 4.137 0.007 . 2 . . . . A 16 GLY HA2 . 34335 1
123 . 1 1 16 16 GLY HA3 H 1 3.549 0.008 . 2 . . . . A 16 GLY HA3 . 34335 1
124 . 1 1 16 16 GLY CA C 13 45.234 0.003 . 1 . . . . A 16 GLY CA . 34335 1
125 . 1 1 18 18 CYS HA H 1 5.130 0.003 . 1 . . . . A 18 CYS HA . 34335 1
126 . 1 1 18 18 CYS HB2 H 1 3.089 0.002 . 2 . . . . A 18 CYS HB2 . 34335 1
127 . 1 1 18 18 CYS HB3 H 1 2.526 0.001 . 2 . . . . A 18 CYS HB3 . 34335 1
128 . 1 1 18 18 CYS CA C 13 55.084 0.000 . 1 . . . . A 18 CYS CA . 34335 1
129 . 1 1 19 19 ARG H H 1 8.805 0.006 . 1 . . . . A 19 ARG H . 34335 1
130 . 1 1 19 19 ARG HA H 1 4.627 0.003 . 1 . . . . A 19 ARG HA . 34335 1
131 . 1 1 19 19 ARG HB2 H 1 1.773 0.001 . 2 . . . . A 19 ARG HB2 . 34335 1
132 . 1 1 19 19 ARG HB3 H 1 1.716 0.001 . 2 . . . . A 19 ARG HB3 . 34335 1
133 . 1 1 19 19 ARG HG2 H 1 1.594 0.001 . 2 . . . . A 19 ARG HG2 . 34335 1
134 . 1 1 19 19 ARG HG3 H 1 1.485 0.005 . 2 . . . . A 19 ARG HG3 . 34335 1
135 . 1 1 19 19 ARG HD2 H 1 3.203 0.001 . 2 . . . . A 19 ARG HD2 . 34335 1
136 . 1 1 19 19 ARG HD3 H 1 3.150 0.001 . 2 . . . . A 19 ARG HD3 . 34335 1
137 . 1 1 19 19 ARG HE H 1 7.212 0.001 . 1 . . . . A 19 ARG HE . 34335 1
138 . 1 1 19 19 ARG C C 13 175.550 0.003 . 1 . . . . A 19 ARG C . 34335 1
139 . 1 1 19 19 ARG CA C 13 55.122 0.039 . 1 . . . . A 19 ARG CA . 34335 1
140 . 1 1 19 19 ARG N N 15 130.535 0.027 . 1 . . . . A 19 ARG N . 34335 1
141 . 1 1 20 20 GLU H H 1 9.392 0.003 . 1 . . . . A 20 GLU H . 34335 1
142 . 1 1 20 20 GLU HA H 1 3.787 0.007 . 1 . . . . A 20 GLU HA . 34335 1
143 . 1 1 20 20 GLU HB2 H 1 2.138 0.000 . 2 . . . . A 20 GLU HB2 . 34335 1
144 . 1 1 20 20 GLU HB3 H 1 2.030 0.003 . 2 . . . . A 20 GLU HB3 . 34335 1
145 . 1 1 20 20 GLU HG2 H 1 2.262 0.000 . 2 . . . . A 20 GLU HG2 . 34335 1
146 . 1 1 20 20 GLU HG3 H 1 2.211 0.002 . 2 . . . . A 20 GLU HG3 . 34335 1
147 . 1 1 20 20 GLU C C 13 175.007 0.017 . 1 . . . . A 20 GLU C . 34335 1
148 . 1 1 20 20 GLU CA C 13 57.682 0.114 . 1 . . . . A 20 GLU CA . 34335 1
149 . 1 1 20 20 GLU CB C 13 27.186 0.000 . 1 . . . . A 20 GLU CB . 34335 1
150 . 1 1 20 20 GLU N N 15 125.976 0.065 . 1 . . . . A 20 GLU N . 34335 1
151 . 1 1 21 21 ASP H H 1 8.421 0.027 . 1 . . . . A 21 ASP H . 34335 1
152 . 1 1 21 21 ASP HA H 1 3.968 0.004 . 1 . . . . A 21 ASP HA . 34335 1
153 . 1 1 21 21 ASP HB2 H 1 2.933 0.003 . 2 . . . . A 21 ASP HB2 . 34335 1
154 . 1 1 21 21 ASP HB3 H 1 2.767 0.001 . 2 . . . . A 21 ASP HB3 . 34335 1
155 . 1 1 21 21 ASP C C 13 174.049 0.010 . 1 . . . . A 21 ASP C . 34335 1
156 . 1 1 21 21 ASP CA C 13 56.235 0.064 . 1 . . . . A 21 ASP CA . 34335 1
157 . 1 1 21 21 ASP CB C 13 39.762 0.000 . 1 . . . . A 21 ASP CB . 34335 1
158 . 1 1 21 21 ASP N N 15 110.903 0.053 . 1 . . . . A 21 ASP N . 34335 1
159 . 1 1 22 22 ARG H H 1 7.586 0.007 . 1 . . . . A 22 ARG H . 34335 1
160 . 1 1 22 22 ARG HA H 1 4.533 0.007 . 1 . . . . A 22 ARG HA . 34335 1
161 . 1 1 22 22 ARG HB2 H 1 1.723 0.003 . 2 . . . . A 22 ARG HB2 . 34335 1
162 . 1 1 22 22 ARG HG2 H 1 1.555 0.001 . 2 . . . . A 22 ARG HG2 . 34335 1
163 . 1 1 22 22 ARG HG3 H 1 1.643 0.002 . 2 . . . . A 22 ARG HG3 . 34335 1
164 . 1 1 22 22 ARG C C 13 174.963 0.028 . 1 . . . . A 22 ARG C . 34335 1
165 . 1 1 22 22 ARG CA C 13 54.639 0.083 . 1 . . . . A 22 ARG CA . 34335 1
166 . 1 1 22 22 ARG CB C 13 32.712 0.000 . 1 . . . . A 22 ARG CB . 34335 1
167 . 1 1 22 22 ARG N N 15 117.335 0.048 . 1 . . . . A 22 ARG N . 34335 1
168 . 1 1 23 23 CYS H H 1 9.110 0.007 . 1 . . . . A 23 CYS H . 34335 1
169 . 1 1 23 23 CYS HA H 1 4.896 0.006 . 1 . . . . A 23 CYS HA . 34335 1
170 . 1 1 23 23 CYS HB2 H 1 3.029 0.002 . 2 . . . . A 23 CYS HB2 . 34335 1
171 . 1 1 23 23 CYS HB3 H 1 2.554 0.005 . 2 . . . . A 23 CYS HB3 . 34335 1
172 . 1 1 23 23 CYS CA C 13 55.526 0.041 . 1 . . . . A 23 CYS CA . 34335 1
173 . 1 1 23 23 CYS CB C 13 39.081 0.024 . 1 . . . . A 23 CYS CB . 34335 1
174 . 1 1 23 23 CYS N N 15 124.792 0.073 . 1 . . . . A 23 CYS N . 34335 1
175 . 1 1 24 24 ARG H H 1 8.871 0.010 . 1 . . . . A 24 ARG H . 34335 1
176 . 1 1 24 24 ARG HA H 1 4.547 0.002 . 1 . . . . A 24 ARG HA . 34335 1
177 . 1 1 24 24 ARG HB2 H 1 1.973 0.003 . 2 . . . . A 24 ARG HB2 . 34335 1
178 . 1 1 24 24 ARG HB3 H 1 1.910 0.003 . 2 . . . . A 24 ARG HB3 . 34335 1
179 . 1 1 24 24 ARG HG2 H 1 1.718 0.003 . 2 . . . . A 24 ARG HG2 . 34335 1
180 . 1 1 24 24 ARG HD2 H 1 3.144 0.001 . 2 . . . . A 24 ARG HD2 . 34335 1
181 . 1 1 24 24 ARG HD3 H 1 3.174 0.001 . 2 . . . . A 24 ARG HD3 . 34335 1
182 . 1 1 24 24 ARG HE H 1 7.151 0.001 . 1 . . . . A 24 ARG HE . 34335 1
183 . 1 1 24 24 ARG CA C 13 55.119 0.033 . 1 . . . . A 24 ARG CA . 34335 1
184 . 1 1 24 24 ARG N N 15 131.277 0.040 . 1 . . . . A 24 ARG N . 34335 1
185 . 1 1 25 25 GLU H H 1 8.500 0.006 . 1 . . . . A 25 GLU H . 34335 1
186 . 1 1 25 25 GLU HA H 1 4.371 0.013 . 1 . . . . A 25 GLU HA . 34335 1
187 . 1 1 25 25 GLU HB2 H 1 1.945 0.033 . 2 . . . . A 25 GLU HB2 . 34335 1
188 . 1 1 25 25 GLU HB3 H 1 2.148 0.011 . 2 . . . . A 25 GLU HB3 . 34335 1
189 . 1 1 25 25 GLU HG2 H 1 2.293 0.002 . 2 . . . . A 25 GLU HG2 . 34335 1
190 . 1 1 25 25 GLU HG3 H 1 2.396 0.003 . 2 . . . . A 25 GLU HG3 . 34335 1
191 . 1 1 25 25 GLU C C 13 176.726 0.006 . 1 . . . . A 25 GLU C . 34335 1
192 . 1 1 25 25 GLU CA C 13 57.456 0.129 . 1 . . . . A 25 GLU CA . 34335 1
193 . 1 1 25 25 GLU CB C 13 30.559 0.060 . 1 . . . . A 25 GLU CB . 34335 1
194 . 1 1 25 25 GLU N N 15 121.149 0.043 . 1 . . . . A 25 GLU N . 34335 1
195 . 1 1 26 26 ILE H H 1 7.656 0.004 . 1 . . . . A 26 ILE H . 34335 1
196 . 1 1 26 26 ILE HA H 1 4.252 0.003 . 1 . . . . A 26 ILE HA . 34335 1
197 . 1 1 26 26 ILE HB H 1 1.819 0.004 . 1 . . . . A 26 ILE HB . 34335 1
198 . 1 1 26 26 ILE HG12 H 1 1.139 0.003 . 2 . . . . A 26 ILE HG12 . 34335 1
199 . 1 1 26 26 ILE HG13 H 1 1.396 0.002 . 2 . . . . A 26 ILE HG13 . 34335 1
200 . 1 1 26 26 ILE HG21 H 1 0.866 0.003 . 1 . . . . A 26 ILE HG21 . 34335 1
201 . 1 1 26 26 ILE HG22 H 1 0.866 0.003 . 1 . . . . A 26 ILE HG22 . 34335 1
202 . 1 1 26 26 ILE HG23 H 1 0.866 0.003 . 1 . . . . A 26 ILE HG23 . 34335 1
203 . 1 1 26 26 ILE HD11 H 1 0.854 0.000 . 1 . . . . A 26 ILE HD11 . 34335 1
204 . 1 1 26 26 ILE HD12 H 1 0.854 0.000 . 1 . . . . A 26 ILE HD12 . 34335 1
205 . 1 1 26 26 ILE HD13 H 1 0.854 0.000 . 1 . . . . A 26 ILE HD13 . 34335 1
206 . 1 1 26 26 ILE C C 13 174.928 0.031 . 1 . . . . A 26 ILE C . 34335 1
207 . 1 1 26 26 ILE CA C 13 60.806 0.125 . 1 . . . . A 26 ILE CA . 34335 1
208 . 1 1 26 26 ILE CB C 13 39.838 0.027 . 1 . . . . A 26 ILE CB . 34335 1
209 . 1 1 26 26 ILE CG1 C 13 27.348 0.032 . 1 . . . . A 26 ILE CG1 . 34335 1
210 . 1 1 26 26 ILE CG2 C 13 17.590 0.000 . 1 . . . . A 26 ILE CG2 . 34335 1
211 . 1 1 26 26 ILE CD1 C 13 13.266 0.000 . 1 . . . . A 26 ILE CD1 . 34335 1
212 . 1 1 26 26 ILE N N 15 117.120 0.014 . 1 . . . . A 26 ILE N . 34335 1
213 . 1 1 27 27 ASP H H 1 8.489 0.040 . 1 . . . . A 27 ASP H . 34335 1
214 . 1 1 27 27 ASP HA H 1 4.458 0.006 . 1 . . . . A 27 ASP HA . 34335 1
215 . 1 1 27 27 ASP HB2 H 1 2.728 0.003 . 2 . . . . A 27 ASP HB2 . 34335 1
216 . 1 1 27 27 ASP HB3 H 1 2.823 0.003 . 2 . . . . A 27 ASP HB3 . 34335 1
217 . 1 1 27 27 ASP C C 13 175.200 0.005 . 1 . . . . A 27 ASP C . 34335 1
218 . 1 1 27 27 ASP CA C 13 54.400 0.088 . 1 . . . . A 27 ASP CA . 34335 1
219 . 1 1 27 27 ASP CB C 13 39.362 0.000 . 1 . . . . A 27 ASP CB . 34335 1
220 . 1 1 27 27 ASP N N 15 120.930 0.016 . 1 . . . . A 27 ASP N . 34335 1
221 . 1 1 28 28 CYS H H 1 7.983 0.004 . 1 . . . . A 28 CYS H . 34335 1
222 . 1 1 28 28 CYS HA H 1 4.523 0.004 . 1 . . . . A 28 CYS HA . 34335 1
223 . 1 1 28 28 CYS HB2 H 1 3.042 0.002 . 2 . . . . A 28 CYS HB2 . 34335 1
224 . 1 1 28 28 CYS HB3 H 1 3.126 0.003 . 2 . . . . A 28 CYS HB3 . 34335 1
225 . 1 1 28 28 CYS C C 13 173.045 0.030 . 1 . . . . A 28 CYS C . 34335 1
226 . 1 1 28 28 CYS CA C 13 56.245 0.040 . 1 . . . . A 28 CYS CA . 34335 1
227 . 1 1 28 28 CYS N N 15 118.108 0.042 . 1 . . . . A 28 CYS N . 34335 1
228 . 1 1 29 29 ASP H H 1 8.084 0.033 . 1 . . . . A 29 ASP H . 34335 1
229 . 1 1 29 29 ASP HA H 1 4.415 0.020 . 1 . . . . A 29 ASP HA . 34335 1
230 . 1 1 29 29 ASP HB2 H 1 2.671 0.004 . 2 . . . . A 29 ASP HB2 . 34335 1
231 . 1 1 29 29 ASP HB3 H 1 2.771 0.003 . 2 . . . . A 29 ASP HB3 . 34335 1
232 . 1 1 29 29 ASP C C 13 180.447 0.000 . 1 . . . . A 29 ASP C . 34335 1
233 . 1 1 29 29 ASP CA C 13 56.174 0.053 . 1 . . . . A 29 ASP CA . 34335 1
234 . 1 1 29 29 ASP N N 15 128.029 0.046 . 1 . . . . A 29 ASP N . 34335 1
stop_
save_