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 30848
_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' . . . 30848 1
2 '2D NOESY' . . . 30848 1
3 '2D TOCSY' . . . 30848 1
4 '2D 1H-15N HSQC' . . . 30848 1
5 '2D 1H-13C HSQC aliphatic' . . . 30848 1
6 '2d ECOSY' . . . 30848 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 GLY H H 1 8.673 0.001 . 1 . . . . A 1 GLY H1 . 30848 1
2 . 1 . 1 1 1 GLY HA2 H 1 4.262 0.001 . 2 . . . . A 1 GLY HA2 . 30848 1
3 . 1 . 1 1 1 GLY HA3 H 1 3.599 0.001 . 2 . . . . A 1 GLY HA3 . 30848 1
4 . 1 . 1 1 1 GLY CA C 13 44.981 0.013 . 1 . . . . A 1 GLY CA . 30848 1
5 . 1 . 1 1 1 GLY N N 15 101.493 0.000 . 1 . . . . A 1 GLY N . 30848 1
6 . 1 . 1 2 2 LEU H H 1 7.741 0.001 . 1 . . . . A 2 LEU H . 30848 1
7 . 1 . 1 2 2 LEU HA H 1 5.072 0.001 . 1 . . . . A 2 LEU HA . 30848 1
8 . 1 . 1 2 2 LEU HB2 H 1 1.930 0.002 . 2 . . . . A 2 LEU HB2 . 30848 1
9 . 1 . 1 2 2 LEU HB3 H 1 1.509 0.003 . 2 . . . . A 2 LEU HB3 . 30848 1
10 . 1 . 1 2 2 LEU HG H 1 1.703 0.001 . 1 . . . . A 2 LEU HG . 30848 1
11 . 1 . 1 2 2 LEU HD11 H 1 0.992 0.001 . . . . . . A 2 LEU HD11 . 30848 1
12 . 1 . 1 2 2 LEU HD12 H 1 0.992 0.001 . . . . . . A 2 LEU HD12 . 30848 1
13 . 1 . 1 2 2 LEU HD13 H 1 0.992 0.001 . . . . . . A 2 LEU HD13 . 30848 1
14 . 1 . 1 2 2 LEU HD21 H 1 0.919 0.000 . . . . . . A 2 LEU HD21 . 30848 1
15 . 1 . 1 2 2 LEU HD22 H 1 0.919 0.000 . . . . . . A 2 LEU HD22 . 30848 1
16 . 1 . 1 2 2 LEU HD23 H 1 0.919 0.000 . . . . . . A 2 LEU HD23 . 30848 1
17 . 1 . 1 2 2 LEU CA C 13 51.710 0.000 . 1 . . . . A 2 LEU CA . 30848 1
18 . 1 . 1 2 2 LEU CB C 13 43.588 0.007 . 1 . . . . A 2 LEU CB . 30848 1
19 . 1 . 1 2 2 LEU CG C 13 26.769 0.000 . 1 . . . . A 2 LEU CG . 30848 1
20 . 1 . 1 2 2 LEU CD1 C 13 25.248 0.000 . 2 . . . . A 2 LEU CD1 . 30848 1
21 . 1 . 1 2 2 LEU CD2 C 13 22.509 0.000 . 2 . . . . A 2 LEU CD2 . 30848 1
22 . 1 . 1 2 2 LEU N N 15 120.410 0.000 . 1 . . . . A 2 LEU N . 30848 1
23 . 1 . 1 3 3 PRO HA H 1 5.078 0.002 . 1 . . . . A 3 PRO HA . 30848 1
24 . 1 . 1 3 3 PRO HB2 H 1 2.469 0.002 . 2 . . . . A 3 PRO HB2 . 30848 1
25 . 1 . 1 3 3 PRO HB3 H 1 1.751 0.007 . 2 . . . . A 3 PRO HB3 . 30848 1
26 . 1 . 1 3 3 PRO HG2 H 1 2.180 0.002 . 2 . . . . A 3 PRO HG2 . 30848 1
27 . 1 . 1 3 3 PRO HG3 H 1 2.054 0.001 . 2 . . . . A 3 PRO HG3 . 30848 1
28 . 1 . 1 3 3 PRO HD2 H 1 3.804 0.002 . 2 . . . . A 3 PRO HD2 . 30848 1
29 . 1 . 1 3 3 PRO HD3 H 1 3.804 0.002 . 2 . . . . A 3 PRO HD3 . 30848 1
30 . 1 . 1 3 3 PRO CA C 13 59.444 0.000 . 1 . . . . A 3 PRO CA . 30848 1
31 . 1 . 1 3 3 PRO CB C 13 28.104 0.006 . 1 . . . . A 3 PRO CB . 30848 1
32 . 1 . 1 3 3 PRO CG C 13 27.502 0.003 . 1 . . . . A 3 PRO CG . 30848 1
33 . 1 . 1 3 3 PRO CD C 13 50.336 0.000 . 1 . . . . A 3 PRO CD . 30848 1
34 . 1 . 1 4 4 VAL H H 1 8.159 0.002 . 1 . . . . A 4 VAL H . 30848 1
35 . 1 . 1 4 4 VAL HA H 1 4.686 0.004 . 1 . . . . A 4 VAL HA . 30848 1
36 . 1 . 1 4 4 VAL HB H 1 2.595 0.001 . 1 . . . . A 4 VAL HB . 30848 1
37 . 1 . 1 4 4 VAL HG11 H 1 0.876 0.002 . . . . . . A 4 VAL HG11 . 30848 1
38 . 1 . 1 4 4 VAL HG12 H 1 0.876 0.002 . . . . . . A 4 VAL HG12 . 30848 1
39 . 1 . 1 4 4 VAL HG13 H 1 0.876 0.002 . . . . . . A 4 VAL HG13 . 30848 1
40 . 1 . 1 4 4 VAL HG21 H 1 0.858 0.019 . . . . . . A 4 VAL HG21 . 30848 1
41 . 1 . 1 4 4 VAL HG22 H 1 0.858 0.019 . . . . . . A 4 VAL HG22 . 30848 1
42 . 1 . 1 4 4 VAL HG23 H 1 0.858 0.019 . . . . . . A 4 VAL HG23 . 30848 1
43 . 1 . 1 4 4 VAL CA C 13 60.484 0.000 . 1 . . . . A 4 VAL CA . 30848 1
44 . 1 . 1 4 4 VAL CB C 13 31.248 0.000 . 1 . . . . A 4 VAL CB . 30848 1
45 . 1 . 1 4 4 VAL CG1 C 13 21.373 0.000 . 2 . . . . A 4 VAL CG1 . 30848 1
46 . 1 . 1 4 4 VAL CG2 C 13 21.174 0.000 . 2 . . . . A 4 VAL CG2 . 30848 1
47 . 1 . 1 4 4 VAL N N 15 115.475 0.000 . 1 . . . . A 4 VAL N . 30848 1
48 . 1 . 1 5 5 CYS H H 1 8.046 0.001 . 1 . . . . A 5 CYS H . 30848 1
49 . 1 . 1 5 5 CYS HA H 1 4.458 0.003 . 1 . . . . A 5 CYS HA . 30848 1
50 . 1 . 1 5 5 CYS HB2 H 1 3.366 0.005 . 2 . . . . A 5 CYS HB2 . 30848 1
51 . 1 . 1 5 5 CYS HB3 H 1 3.021 0.006 . 2 . . . . A 5 CYS HB3 . 30848 1
52 . 1 . 1 5 5 CYS CA C 13 59.335 0.000 . 1 . . . . A 5 CYS CA . 30848 1
53 . 1 . 1 5 5 CYS CB C 13 49.002 0.004 . 1 . . . . A 5 CYS CB . 30848 1
54 . 1 . 1 5 5 CYS N N 15 119.091 0.000 . 1 . . . . A 5 CYS N . 30848 1
55 . 1 . 1 6 6 GLY H H 1 8.529 0.001 . 1 . . . . A 6 GLY H . 30848 1
56 . 1 . 1 6 6 GLY HA2 H 1 3.835 0.003 . 2 . . . . A 6 GLY HA2 . 30848 1
57 . 1 . 1 6 6 GLY HA3 H 1 3.744 0.005 . 2 . . . . A 6 GLY HA3 . 30848 1
58 . 1 . 1 6 6 GLY CA C 13 46.373 0.006 . 1 . . . . A 6 GLY CA . 30848 1
59 . 1 . 1 6 6 GLY N N 15 110.639 0.000 . 1 . . . . A 6 GLY N . 30848 1
60 . 1 . 1 7 7 GLU H H 1 7.173 0.002 . 1 . . . . A 7 GLU H . 30848 1
61 . 1 . 1 7 7 GLU HA H 1 4.773 0.006 . 1 . . . . A 7 GLU HA . 30848 1
62 . 1 . 1 7 7 GLU HB2 H 1 1.966 0.001 . 2 . . . . A 7 GLU HB2 . 30848 1
63 . 1 . 1 7 7 GLU HB3 H 1 1.881 0.004 . 2 . . . . A 7 GLU HB3 . 30848 1
64 . 1 . 1 7 7 GLU HG2 H 1 2.519 0.000 . 2 . . . . A 7 GLU HG2 . 30848 1
65 . 1 . 1 7 7 GLU HG3 H 1 2.476 0.000 . 2 . . . . A 7 GLU HG3 . 30848 1
66 . 1 . 1 7 7 GLU CB C 13 32.676 0.000 . 1 . . . . A 7 GLU CB . 30848 1
67 . 1 . 1 7 7 GLU CG C 13 34.565 0.004 . 1 . . . . A 7 GLU CG . 30848 1
68 . 1 . 1 7 7 GLU N N 15 115.043 0.000 . 1 . . . . A 7 GLU N . 30848 1
69 . 1 . 1 8 8 THR H H 1 8.463 0.002 . 1 . . . . A 8 THR H . 30848 1
70 . 1 . 1 8 8 THR HA H 1 4.567 0.002 . 1 . . . . A 8 THR HA . 30848 1
71 . 1 . 1 8 8 THR HB H 1 4.439 0.003 . 1 . . . . A 8 THR HB . 30848 1
72 . 1 . 1 8 8 THR HG21 H 1 1.160 0.002 . . . . . . A 8 THR HG21 . 30848 1
73 . 1 . 1 8 8 THR HG22 H 1 1.160 0.002 . . . . . . A 8 THR HG22 . 30848 1
74 . 1 . 1 8 8 THR HG23 H 1 1.160 0.002 . . . . . . A 8 THR HG23 . 30848 1
75 . 1 . 1 8 8 THR CA C 13 60.185 0.000 . 1 . . . . A 8 THR CA . 30848 1
76 . 1 . 1 8 8 THR CB C 13 70.658 0.000 . 1 . . . . A 8 THR CB . 30848 1
77 . 1 . 1 8 8 THR CG2 C 13 21.511 0.000 . 1 . . . . A 8 THR CG2 . 30848 1
78 . 1 . 1 8 8 THR N N 15 114.867 0.000 . 1 . . . . A 8 THR N . 30848 1
79 . 1 . 1 9 9 CYS H H 1 8.325 0.001 . 1 . . . . A 9 CYS H . 30848 1
80 . 1 . 1 9 9 CYS HA H 1 4.936 0.004 . 1 . . . . A 9 CYS HA . 30848 1
81 . 1 . 1 9 9 CYS HB2 H 1 3.176 0.003 . 2 . . . . A 9 CYS HB2 . 30848 1
82 . 1 . 1 9 9 CYS HB3 H 1 2.942 0.004 . 2 . . . . A 9 CYS HB3 . 30848 1
83 . 1 . 1 9 9 CYS CA C 13 54.674 0.000 . 1 . . . . A 9 CYS CA . 30848 1
84 . 1 . 1 9 9 CYS CB C 13 47.686 0.012 . 1 . . . . A 9 CYS CB . 30848 1
85 . 1 . 1 9 9 CYS N N 15 116.147 0.000 . 1 . . . . A 9 CYS N . 30848 1
86 . 1 . 1 10 10 VAL H H 1 8.553 0.001 . 1 . . . . A 10 VAL H . 30848 1
87 . 1 . 1 10 10 VAL HA H 1 3.895 0.007 . 1 . . . . A 10 VAL HA . 30848 1
88 . 1 . 1 10 10 VAL HB H 1 2.051 0.003 . 1 . . . . A 10 VAL HB . 30848 1
89 . 1 . 1 10 10 VAL HG11 H 1 1.031 0.005 . . . . . . A 10 VAL HG11 . 30848 1
90 . 1 . 1 10 10 VAL HG12 H 1 1.031 0.005 . . . . . . A 10 VAL HG12 . 30848 1
91 . 1 . 1 10 10 VAL HG13 H 1 1.031 0.005 . . . . . . A 10 VAL HG13 . 30848 1
92 . 1 . 1 10 10 VAL HG21 H 1 0.980 0.004 . . . . . . A 10 VAL HG21 . 30848 1
93 . 1 . 1 10 10 VAL HG22 H 1 0.980 0.004 . . . . . . A 10 VAL HG22 . 30848 1
94 . 1 . 1 10 10 VAL HG23 H 1 0.980 0.004 . . . . . . A 10 VAL HG23 . 30848 1
95 . 1 . 1 10 10 VAL CA C 13 65.230 0.000 . 1 . . . . A 10 VAL CA . 30848 1
96 . 1 . 1 10 10 VAL CB C 13 31.972 0.000 . 1 . . . . A 10 VAL CB . 30848 1
97 . 1 . 1 10 10 VAL CG1 C 13 21.089 0.000 . 2 . . . . A 10 VAL CG1 . 30848 1
98 . 1 . 1 10 10 VAL CG2 C 13 21.959 0.000 . 2 . . . . A 10 VAL CG2 . 30848 1
99 . 1 . 1 10 10 VAL N N 15 123.365 0.000 . 1 . . . . A 10 VAL N . 30848 1
100 . 1 . 1 11 11 GLY H H 1 8.753 0.002 . 1 . . . . A 11 GLY H . 30848 1
101 . 1 . 1 11 11 GLY HA2 H 1 4.241 0.001 . 2 . . . . A 11 GLY HA2 . 30848 1
102 . 1 . 1 11 11 GLY HA3 H 1 3.863 0.004 . 2 . . . . A 11 GLY HA3 . 30848 1
103 . 1 . 1 11 11 GLY CA C 13 45.801 0.002 . 1 . . . . A 11 GLY CA . 30848 1
104 . 1 . 1 11 11 GLY N N 15 110.615 0.000 . 1 . . . . A 11 GLY N . 30848 1
105 . 1 . 1 12 12 GLY H H 1 8.285 0.001 . 1 . . . . A 12 GLY H . 30848 1
106 . 1 . 1 12 12 GLY HA2 H 1 4.416 0.004 . 2 . . . . A 12 GLY HA2 . 30848 1
107 . 1 . 1 12 12 GLY HA3 H 1 4.050 0.000 . 2 . . . . A 12 GLY HA3 . 30848 1
108 . 1 . 1 12 12 GLY CA C 13 45.517 0.005 . 1 . . . . A 12 GLY CA . 30848 1
109 . 1 . 1 12 12 GLY N N 15 106.638 0.000 . 1 . . . . A 12 GLY N . 30848 1
110 . 1 . 1 13 13 THR H H 1 7.881 0.001 . 1 . . . . A 13 THR H . 30848 1
111 . 1 . 1 13 13 THR HA H 1 4.708 0.004 . 1 . . . . A 13 THR HA . 30848 1
112 . 1 . 1 13 13 THR HB H 1 4.102 0.007 . 1 . . . . A 13 THR HB . 30848 1
113 . 1 . 1 13 13 THR HG21 H 1 1.151 0.002 . . . . . . A 13 THR HG21 . 30848 1
114 . 1 . 1 13 13 THR HG22 H 1 1.151 0.002 . . . . . . A 13 THR HG22 . 30848 1
115 . 1 . 1 13 13 THR HG23 H 1 1.151 0.002 . . . . . . A 13 THR HG23 . 30848 1
116 . 1 . 1 13 13 THR CA C 13 60.788 0.000 . 1 . . . . A 13 THR CA . 30848 1
117 . 1 . 1 13 13 THR CB C 13 71.536 0.000 . 1 . . . . A 13 THR CB . 30848 1
118 . 1 . 1 13 13 THR CG2 C 13 21.343 0.000 . 1 . . . . A 13 THR CG2 . 30848 1
119 . 1 . 1 13 13 THR N N 15 113.251 0.000 . 1 . . . . A 13 THR N . 30848 1
120 . 1 . 1 14 14 CYS H H 1 8.594 0.002 . 1 . . . . A 14 CYS H . 30848 1
121 . 1 . 1 14 14 CYS HA H 1 4.723 0.002 . 1 . . . . A 14 CYS HA . 30848 1
122 . 1 . 1 14 14 CYS HB2 H 1 3.076 0.006 . 2 . . . . A 14 CYS HB2 . 30848 1
123 . 1 . 1 14 14 CYS HB3 H 1 2.732 0.002 . 2 . . . . A 14 CYS HB3 . 30848 1
124 . 1 . 1 14 14 CYS CA C 13 55.253 0.000 . 1 . . . . A 14 CYS CA . 30848 1
125 . 1 . 1 14 14 CYS CB C 13 45.325 0.005 . 1 . . . . A 14 CYS CB . 30848 1
126 . 1 . 1 14 14 CYS N N 15 120.668 0.000 . 1 . . . . A 14 CYS N . 30848 1
127 . 1 . 1 15 15 ASN H H 1 10.007 0.005 . 1 . . . . A 15 ASN H . 30848 1
128 . 1 . 1 15 15 ASN HA H 1 4.700 0.006 . 1 . . . . A 15 ASN HA . 30848 1
129 . 1 . 1 15 15 ASN HB2 H 1 2.790 0.005 . 2 . . . . A 15 ASN HB2 . 30848 1
130 . 1 . 1 15 15 ASN HB3 H 1 2.790 0.004 . 2 . . . . A 15 ASN HB3 . 30848 1
131 . 1 . 1 15 15 ASN HD21 H 1 7.654 0.001 . 2 . . . . A 15 ASN HD21 . 30848 1
132 . 1 . 1 15 15 ASN HD22 H 1 6.911 0.001 . 2 . . . . A 15 ASN HD22 . 30848 1
133 . 1 . 1 15 15 ASN CA C 13 54.280 0.000 . 1 . . . . A 15 ASN CA . 30848 1
134 . 1 . 1 15 15 ASN CB C 13 39.909 0.000 . 1 . . . . A 15 ASN CB . 30848 1
135 . 1 . 1 15 15 ASN N N 15 123.004 0.000 . 1 . . . . A 15 ASN N . 30848 1
136 . 1 . 1 15 15 ASN ND2 N 15 113.554 0.000 . 1 . . . . A 15 ASN ND2 . 30848 1
137 . 1 . 1 16 16 THR H H 1 8.801 0.007 . 1 . . . . A 16 THR H . 30848 1
138 . 1 . 1 16 16 THR HA H 1 4.446 0.001 . 1 . . . . A 16 THR HA . 30848 1
139 . 1 . 1 16 16 THR HB H 1 4.241 0.000 . 1 . . . . A 16 THR HB . 30848 1
140 . 1 . 1 16 16 THR HG21 H 1 1.332 0.001 . . . . . . A 16 THR HG21 . 30848 1
141 . 1 . 1 16 16 THR HG22 H 1 1.332 0.001 . . . . . . A 16 THR HG22 . 30848 1
142 . 1 . 1 16 16 THR HG23 H 1 1.332 0.001 . . . . . . A 16 THR HG23 . 30848 1
143 . 1 . 1 16 16 THR CA C 13 61.904 0.000 . 1 . . . . A 16 THR CA . 30848 1
144 . 1 . 1 16 16 THR CB C 13 69.373 0.000 . 1 . . . . A 16 THR CB . 30848 1
145 . 1 . 1 16 16 THR CG2 C 13 21.918 0.000 . 1 . . . . A 16 THR CG2 . 30848 1
146 . 1 . 1 16 16 THR N N 15 121.388 0.000 . 1 . . . . A 16 THR N . 30848 1
147 . 1 . 1 17 17 PRO HA H 1 4.268 0.004 . 1 . . . . A 17 PRO HA . 30848 1
148 . 1 . 1 17 17 PRO HB2 H 1 2.324 0.004 . 2 . . . . A 17 PRO HB2 . 30848 1
149 . 1 . 1 17 17 PRO HB3 H 1 1.913 0.004 . 2 . . . . A 17 PRO HB3 . 30848 1
150 . 1 . 1 17 17 PRO HG2 H 1 2.146 0.003 . 2 . . . . A 17 PRO HG2 . 30848 1
151 . 1 . 1 17 17 PRO HG3 H 1 2.014 0.003 . 2 . . . . A 17 PRO HG3 . 30848 1
152 . 1 . 1 17 17 PRO HD2 H 1 4.173 0.005 . 2 . . . . A 17 PRO HD2 . 30848 1
153 . 1 . 1 17 17 PRO HD3 H 1 3.714 0.002 . 2 . . . . A 17 PRO HD3 . 30848 1
154 . 1 . 1 17 17 PRO CA C 13 64.294 0.000 . 1 . . . . A 17 PRO CA . 30848 1
155 . 1 . 1 17 17 PRO CB C 13 31.912 0.001 . 1 . . . . A 17 PRO CB . 30848 1
156 . 1 . 1 17 17 PRO CG C 13 27.690 0.008 . 1 . . . . A 17 PRO CG . 30848 1
157 . 1 . 1 17 17 PRO CD C 13 51.722 0.008 . 1 . . . . A 17 PRO CD . 30848 1
158 . 1 . 1 18 18 GLY H H 1 8.776 0.001 . 1 . . . . A 18 GLY H . 30848 1
159 . 1 . 1 18 18 GLY HA2 H 1 4.196 0.002 . 2 . . . . A 18 GLY HA2 . 30848 1
160 . 1 . 1 18 18 GLY HA3 H 1 3.697 0.003 . 2 . . . . A 18 GLY HA3 . 30848 1
161 . 1 . 1 18 18 GLY CA C 13 45.167 0.013 . 1 . . . . A 18 GLY CA . 30848 1
162 . 1 . 1 18 18 GLY N N 15 111.532 0.000 . 1 . . . . A 18 GLY N . 30848 1
163 . 1 . 1 19 19 CYS H H 1 7.687 0.002 . 1 . . . . A 19 CYS H . 30848 1
164 . 1 . 1 19 19 CYS HA H 1 5.283 0.007 . 1 . . . . A 19 CYS HA . 30848 1
165 . 1 . 1 19 19 CYS HB2 H 1 3.816 0.002 . 2 . . . . A 19 CYS HB2 . 30848 1
166 . 1 . 1 19 19 CYS HB3 H 1 2.595 0.005 . 2 . . . . A 19 CYS HB3 . 30848 1
167 . 1 . 1 19 19 CYS CA C 13 58.137 0.000 . 1 . . . . A 19 CYS CA . 30848 1
168 . 1 . 1 19 19 CYS CB C 13 49.983 0.000 . 1 . . . . A 19 CYS CB . 30848 1
169 . 1 . 1 19 19 CYS N N 15 117.639 0.000 . 1 . . . . A 19 CYS N . 30848 1
170 . 1 . 1 20 20 LYS H H 1 9.505 0.002 . 1 . . . . A 20 LYS H . 30848 1
171 . 1 . 1 20 20 LYS HA H 1 4.577 0.002 . 1 . . . . A 20 LYS HA . 30848 1
172 . 1 . 1 20 20 LYS HB2 H 1 1.773 0.003 . 2 . . . . A 20 LYS HB2 . 30848 1
173 . 1 . 1 20 20 LYS HB3 H 1 1.712 0.004 . 2 . . . . A 20 LYS HB3 . 30848 1
174 . 1 . 1 20 20 LYS HG2 H 1 1.373 0.002 . 2 . . . . A 20 LYS HG2 . 30848 1
175 . 1 . 1 20 20 LYS HG3 H 1 1.373 0.002 . 2 . . . . A 20 LYS HG3 . 30848 1
176 . 1 . 1 20 20 LYS HD2 H 1 1.636 0.001 . 2 . . . . A 20 LYS HD2 . 30848 1
177 . 1 . 1 20 20 LYS HD3 H 1 1.636 0.001 . 2 . . . . A 20 LYS HD3 . 30848 1
178 . 1 . 1 20 20 LYS HE2 H 1 2.958 0.004 . 2 . . . . A 20 LYS HE2 . 30848 1
179 . 1 . 1 20 20 LYS HE3 H 1 2.958 0.004 . 2 . . . . A 20 LYS HE3 . 30848 1
180 . 1 . 1 20 20 LYS HZ1 H 1 7.506 0.001 . 1 . . . . A 20 LYS HZ1 . 30848 1
181 . 1 . 1 20 20 LYS HZ2 H 1 7.506 0.001 . 1 . . . . A 20 LYS HZ2 . 30848 1
182 . 1 . 1 20 20 LYS HZ3 H 1 7.506 0.001 . 1 . . . . A 20 LYS HZ3 . 30848 1
183 . 1 . 1 20 20 LYS CA C 13 54.087 0.000 . 1 . . . . A 20 LYS CA . 30848 1
184 . 1 . 1 20 20 LYS CB C 13 35.817 0.000 . 1 . . . . A 20 LYS CB . 30848 1
185 . 1 . 1 20 20 LYS CG C 13 24.351 0.000 . 1 . . . . A 20 LYS CG . 30848 1
186 . 1 . 1 20 20 LYS CD C 13 28.992 0.000 . 1 . . . . A 20 LYS CD . 30848 1
187 . 1 . 1 20 20 LYS CE C 13 41.840 0.000 . 1 . . . . A 20 LYS CE . 30848 1
188 . 1 . 1 20 20 LYS N N 15 122.881 0.000 . 1 . . . . A 20 LYS N . 30848 1
189 . 1 . 1 21 21 CYS H H 1 9.076 0.002 . 1 . . . . A 21 CYS H . 30848 1
190 . 1 . 1 21 21 CYS HA H 1 4.585 0.003 . 1 . . . . A 21 CYS HA . 30848 1
191 . 1 . 1 21 21 CYS HB2 H 1 3.074 0.003 . 2 . . . . A 21 CYS HB2 . 30848 1
192 . 1 . 1 21 21 CYS HB3 H 1 2.814 0.003 . 2 . . . . A 21 CYS HB3 . 30848 1
193 . 1 . 1 21 21 CYS CA C 13 56.350 0.000 . 1 . . . . A 21 CYS CA . 30848 1
194 . 1 . 1 21 21 CYS CB C 13 39.907 0.000 . 1 . . . . A 21 CYS CB . 30848 1
195 . 1 . 1 21 21 CYS N N 15 121.698 0.000 . 1 . . . . A 21 CYS N . 30848 1
196 . 1 . 1 22 22 SER H H 1 8.992 0.002 . 1 . . . . A 22 SER H . 30848 1
197 . 1 . 1 22 22 SER HA H 1 4.752 0.004 . 1 . . . . A 22 SER HA . 30848 1
198 . 1 . 1 22 22 SER HB2 H 1 3.856 0.002 . 2 . . . . A 22 SER HB2 . 30848 1
199 . 1 . 1 22 22 SER HB3 H 1 3.856 0.002 . 2 . . . . A 22 SER HB3 . 30848 1
200 . 1 . 1 22 22 SER CB C 13 61.219 0.000 . 1 . . . . A 22 SER CB . 30848 1
201 . 1 . 1 22 22 SER N N 15 132.476 0.000 . 1 . . . . A 22 SER N . 30848 1
202 . 1 . 1 23 23 TRP H H 1 8.041 0.000 . 1 . . . . A 23 TRP H . 30848 1
203 . 1 . 1 23 23 TRP HA H 1 4.100 0.001 . 1 . . . . A 23 TRP HA . 30848 1
204 . 1 . 1 23 23 TRP HB2 H 1 3.274 0.003 . 2 . . . . A 23 TRP HB2 . 30848 1
205 . 1 . 1 23 23 TRP HB3 H 1 3.274 0.003 . 2 . . . . A 23 TRP HB3 . 30848 1
206 . 1 . 1 23 23 TRP HD1 H 1 7.322 0.001 . 1 . . . . A 23 TRP HD1 . 30848 1
207 . 1 . 1 23 23 TRP HE1 H 1 10.394 0.002 . 1 . . . . A 23 TRP HE1 . 30848 1
208 . 1 . 1 23 23 TRP HZ2 H 1 7.562 0.000 . 1 . . . . A 23 TRP HZ2 . 30848 1
209 . 1 . 1 23 23 TRP CA C 13 59.108 0.000 . 1 . . . . A 23 TRP CA . 30848 1
210 . 1 . 1 23 23 TRP CB C 13 29.875 0.000 . 1 . . . . A 23 TRP CB . 30848 1
211 . 1 . 1 23 23 TRP N N 15 123.387 0.000 . 1 . . . . A 23 TRP N . 30848 1
212 . 1 . 1 24 24 PRO HA H 1 3.460 0.002 . 1 . . . . A 24 PRO HA . 30848 1
213 . 1 . 1 24 24 PRO HB2 H 1 1.732 0.002 . 2 . . . . A 24 PRO HB2 . 30848 1
214 . 1 . 1 24 24 PRO HB3 H 1 -0.141 0.017 . 2 . . . . A 24 PRO HB3 . 30848 1
215 . 1 . 1 24 24 PRO HG2 H 1 1.421 0.005 . 2 . . . . A 24 PRO HG2 . 30848 1
216 . 1 . 1 24 24 PRO HG3 H 1 1.332 0.004 . 2 . . . . A 24 PRO HG3 . 30848 1
217 . 1 . 1 24 24 PRO HD2 H 1 3.264 0.005 . 2 . . . . A 24 PRO HD2 . 30848 1
218 . 1 . 1 24 24 PRO HD3 H 1 3.197 0.001 . 2 . . . . A 24 PRO HD3 . 30848 1
219 . 1 . 1 24 24 PRO CA C 13 65.061 0.000 . 1 . . . . A 24 PRO CA . 30848 1
220 . 1 . 1 24 24 PRO CB C 13 32.093 0.008 . 1 . . . . A 24 PRO CB . 30848 1
221 . 1 . 1 24 24 PRO CG C 13 24.070 0.001 . 1 . . . . A 24 PRO CG . 30848 1
222 . 1 . 1 24 24 PRO CD C 13 48.967 0.019 . 1 . . . . A 24 PRO CD . 30848 1
223 . 1 . 1 25 25 VAL H H 1 8.222 0.002 . 1 . . . . A 25 VAL H . 30848 1
224 . 1 . 1 25 25 VAL HA H 1 4.233 0.001 . 1 . . . . A 25 VAL HA . 30848 1
225 . 1 . 1 25 25 VAL HB H 1 1.948 0.003 . 1 . . . . A 25 VAL HB . 30848 1
226 . 1 . 1 25 25 VAL HG11 H 1 0.866 0.007 . . . . . . A 25 VAL HG11 . 30848 1
227 . 1 . 1 25 25 VAL HG12 H 1 0.866 0.007 . . . . . . A 25 VAL HG12 . 30848 1
228 . 1 . 1 25 25 VAL HG13 H 1 0.866 0.007 . . . . . . A 25 VAL HG13 . 30848 1
229 . 1 . 1 25 25 VAL HG21 H 1 0.844 0.006 . . . . . . A 25 VAL HG21 . 30848 1
230 . 1 . 1 25 25 VAL HG22 H 1 0.844 0.006 . . . . . . A 25 VAL HG22 . 30848 1
231 . 1 . 1 25 25 VAL HG23 H 1 0.844 0.006 . . . . . . A 25 VAL HG23 . 30848 1
232 . 1 . 1 25 25 VAL CB C 13 35.222 0.000 . 1 . . . . A 25 VAL CB . 30848 1
233 . 1 . 1 25 25 VAL N N 15 125.543 0.000 . 1 . . . . A 25 VAL N . 30848 1
234 . 1 . 1 26 26 CYS H H 1 7.768 0.002 . 1 . . . . A 26 CYS H . 30848 1
235 . 1 . 1 26 26 CYS HA H 1 5.135 0.003 . 1 . . . . A 26 CYS HA . 30848 1
236 . 1 . 1 26 26 CYS HB2 H 1 3.232 0.005 . 2 . . . . A 26 CYS HB2 . 30848 1
237 . 1 . 1 26 26 CYS HB3 H 1 2.733 0.007 . 2 . . . . A 26 CYS HB3 . 30848 1
238 . 1 . 1 26 26 CYS CA C 13 56.784 0.000 . 1 . . . . A 26 CYS CA . 30848 1
239 . 1 . 1 26 26 CYS CB C 13 44.002 0.012 . 1 . . . . A 26 CYS CB . 30848 1
240 . 1 . 1 26 26 CYS N N 15 123.097 0.000 . 1 . . . . A 26 CYS N . 30848 1
241 . 1 . 1 27 27 THR H H 1 9.864 0.001 . 1 . . . . A 27 THR H . 30848 1
242 . 1 . 1 27 27 THR HA H 1 5.078 0.005 . 1 . . . . A 27 THR HA . 30848 1
243 . 1 . 1 27 27 THR HB H 1 3.700 0.002 . 1 . . . . A 27 THR HB . 30848 1
244 . 1 . 1 27 27 THR HG21 H 1 0.887 0.003 . . . . . . A 27 THR HG21 . 30848 1
245 . 1 . 1 27 27 THR HG22 H 1 0.887 0.003 . . . . . . A 27 THR HG22 . 30848 1
246 . 1 . 1 27 27 THR HG23 H 1 0.887 0.003 . . . . . . A 27 THR HG23 . 30848 1
247 . 1 . 1 27 27 THR CA C 13 62.699 0.000 . 1 . . . . A 27 THR CA . 30848 1
248 . 1 . 1 27 27 THR CB C 13 72.449 0.000 . 1 . . . . A 27 THR CB . 30848 1
249 . 1 . 1 27 27 THR CG2 C 13 18.840 0.000 . 1 . . . . A 27 THR CG2 . 30848 1
250 . 1 . 1 27 27 THR N N 15 114.580 0.000 . 1 . . . . A 27 THR N . 30848 1
251 . 1 . 1 28 28 ARG H H 1 8.826 0.003 . 1 . . . . A 28 ARG H . 30848 1
252 . 1 . 1 28 28 ARG HA H 1 4.748 0.008 . 1 . . . . A 28 ARG HA . 30848 1
253 . 1 . 1 28 28 ARG HB2 H 1 1.692 0.004 . 2 . . . . A 28 ARG HB2 . 30848 1
254 . 1 . 1 28 28 ARG HB3 H 1 1.692 0.004 . 2 . . . . A 28 ARG HB3 . 30848 1
255 . 1 . 1 28 28 ARG HG2 H 1 1.616 0.003 . 2 . . . . A 28 ARG HG2 . 30848 1
256 . 1 . 1 28 28 ARG HG3 H 1 1.415 0.003 . 2 . . . . A 28 ARG HG3 . 30848 1
257 . 1 . 1 28 28 ARG HD2 H 1 3.206 0.006 . 2 . . . . A 28 ARG HD2 . 30848 1
258 . 1 . 1 28 28 ARG HD3 H 1 3.156 0.009 . 2 . . . . A 28 ARG HD3 . 30848 1
259 . 1 . 1 28 28 ARG HE H 1 6.960 0.000 . 1 . . . . A 28 ARG HE . 30848 1
260 . 1 . 1 28 28 ARG CB C 13 32.652 0.000 . 1 . . . . A 28 ARG CB . 30848 1
261 . 1 . 1 28 28 ARG CG C 13 27.342 0.003 . 1 . . . . A 28 ARG CG . 30848 1
262 . 1 . 1 28 28 ARG CD C 13 43.565 0.005 . 1 . . . . A 28 ARG CD . 30848 1
263 . 1 . 1 28 28 ARG N N 15 120.922 0.000 . 1 . . . . A 28 ARG N . 30848 1
264 . 1 . 1 29 29 ASN H H 1 9.557 0.001 . 1 . . . . A 29 ASN H . 30848 1
265 . 1 . 1 29 29 ASN HA H 1 4.392 0.001 . 1 . . . . A 29 ASN HA . 30848 1
266 . 1 . 1 29 29 ASN HB2 H 1 3.091 0.006 . 2 . . . . A 29 ASN HB2 . 30848 1
267 . 1 . 1 29 29 ASN HB3 H 1 2.864 0.004 . 2 . . . . A 29 ASN HB3 . 30848 1
268 . 1 . 1 29 29 ASN HD21 H 1 7.628 0.001 . 2 . . . . A 29 ASN HD21 . 30848 1
269 . 1 . 1 29 29 ASN HD22 H 1 6.978 0.000 . 2 . . . . A 29 ASN HD22 . 30848 1
270 . 1 . 1 29 29 ASN CA C 13 54.395 0.000 . 1 . . . . A 29 ASN CA . 30848 1
271 . 1 . 1 29 29 ASN CB C 13 37.504 0.003 . 1 . . . . A 29 ASN CB . 30848 1
272 . 1 . 1 29 29 ASN N N 15 127.725 0.000 . 1 . . . . A 29 ASN N . 30848 1
273 . 1 . 1 29 29 ASN ND2 N 15 113.291 0.000 . 1 . . . . A 29 ASN ND2 . 30848 1
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