Content for NMR-STAR saveframe, "Lunasin16-43_pH35"
save_Lunasin16-43_pH35
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode Lunasin16-43_pH35
_Assigned_chem_shift_list.Entry_ID 26820
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $pH35
_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 .
_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
2 '2D 1H-1H TOCSY' . . . 26820 1
3 '2D 1H-1H NOESY' . . . 26820 1
4 '3D 1H-15N NOESY' . . . 26820 1
5 '2D 1H-13C HSQC aliphatic' . . . 26820 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.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 HA2 H 1 3.882 0.020 . 1 . . . . 1 GLY HA2 . 26820 1
2 . 1 1 1 1 GLY HA3 H 1 3.882 0.020 . 1 . . . . 1 GLY HA3 . 26820 1
3 . 1 1 2 2 VAL H H 1 8.448 0.020 . 1 . . . . 2 VAL H . 26820 1
4 . 1 1 2 2 VAL HA H 1 4.162 0.020 . 1 . . . . 2 VAL HA . 26820 1
5 . 1 1 2 2 VAL HB H 1 2.067 0.020 . 1 . . . . 2 VAL HB . 26820 1
6 . 1 1 2 2 VAL HG11 H 1 0.932 0.020 . 2 . . . . 2 VAL QG1 . 26820 1
7 . 1 1 2 2 VAL HG12 H 1 0.932 0.020 . 2 . . . . 2 VAL QG1 . 26820 1
8 . 1 1 2 2 VAL HG13 H 1 0.932 0.020 . 2 . . . . 2 VAL QG1 . 26820 1
9 . 1 1 2 2 VAL HG21 H 1 0.911 0.020 . 2 . . . . 2 VAL QG2 . 26820 1
10 . 1 1 2 2 VAL HG22 H 1 0.911 0.020 . 2 . . . . 2 VAL QG2 . 26820 1
11 . 1 1 2 2 VAL HG23 H 1 0.911 0.020 . 2 . . . . 2 VAL QG2 . 26820 1
12 . 1 1 2 2 VAL CA C 13 62.298 0.3 . 1 . . . . 2 VAL CA . 26820 1
13 . 1 1 2 2 VAL CB C 13 33.018 0.3 . 1 . . . . 2 VAL CB . 26820 1
14 . 1 1 2 2 VAL CG1 C 13 21.141 0.3 . 1 . . . . 2 VAL CG1 . 26820 1
15 . 1 1 2 2 VAL CG2 C 13 20.302 0.3 . 1 . . . . 2 VAL CG2 . 26820 1
16 . 1 1 2 2 VAL N N 15 118.828 0.3 . 1 . . . . 2 VAL N . 26820 1
17 . 1 1 3 3 ASN H H 1 8.608 0.020 . 1 . . . . 3 ASN H . 26820 1
18 . 1 1 3 3 ASN HA H 1 4.740 0.020 . 1 . . . . 3 ASN HA . 26820 1
19 . 1 1 3 3 ASN HB2 H 1 2.825 0.020 . 2 . . . . 3 ASN HB2 . 26820 1
20 . 1 1 3 3 ASN HB3 H 1 2.719 0.020 . 2 . . . . 3 ASN HB3 . 26820 1
21 . 1 1 3 3 ASN HD21 H 1 7.533 0.020 . 1 . . . . 3 ASN HD21 . 26820 1
22 . 1 1 3 3 ASN HD22 H 1 6.860 0.020 . 1 . . . . 3 ASN HD22 . 26820 1
23 . 1 1 3 3 ASN CB C 13 39.031 0.3 . 1 . . . . 3 ASN CB . 26820 1
24 . 1 1 3 3 ASN N N 15 122.960 0.3 . 1 . . . . 3 ASN N . 26820 1
25 . 1 1 3 3 ASN ND2 N 15 112.416 0.3 . 1 . . . . 3 ASN ND2 . 26820 1
26 . 1 1 4 4 LEU H H 1 8.415 0.020 . 1 . . . . 4 LEU H . 26820 1
27 . 1 1 4 4 LEU HA H 1 4.420 0.020 . 1 . . . . 4 LEU HA . 26820 1
28 . 1 1 4 4 LEU HB2 H 1 1.625 0.020 . 2 . . . . 4 LEU HB2 . 26820 1
29 . 1 1 4 4 LEU HB3 H 1 1.570 0.020 . 2 . . . . 4 LEU HB3 . 26820 1
30 . 1 1 4 4 LEU HG H 1 1.586 0.020 . 1 . . . . 4 LEU HG . 26820 1
31 . 1 1 4 4 LEU HD11 H 1 0.901 0.020 . 2 . . . . 4 LEU QD1 . 26820 1
32 . 1 1 4 4 LEU HD12 H 1 0.901 0.020 . 2 . . . . 4 LEU QD1 . 26820 1
33 . 1 1 4 4 LEU HD13 H 1 0.901 0.020 . 2 . . . . 4 LEU QD1 . 26820 1
34 . 1 1 4 4 LEU HD21 H 1 0.841 0.020 . 2 . . . . 4 LEU QD2 . 26820 1
35 . 1 1 4 4 LEU HD22 H 1 0.841 0.020 . 2 . . . . 4 LEU QD2 . 26820 1
36 . 1 1 4 4 LEU HD23 H 1 0.841 0.020 . 2 . . . . 4 LEU QD2 . 26820 1
37 . 1 1 4 4 LEU CA C 13 55.046 0.3 . 1 . . . . 4 LEU CA . 26820 1
38 . 1 1 4 4 LEU CB C 13 42.740 0.3 . 1 . . . . 4 LEU CB . 26820 1
39 . 1 1 4 4 LEU CG C 13 26.965 0.3 . 1 . . . . 4 LEU CG . 26820 1
40 . 1 1 4 4 LEU CD1 C 13 25.323 0.3 . 1 . . . . 4 LEU CD1 . 26820 1
41 . 1 1 4 4 LEU CD2 C 13 23.441 0.3 . 1 . . . . 4 LEU CD2 . 26820 1
42 . 1 1 4 4 LEU N N 15 123.997 0.3 . 1 . . . . 4 LEU N . 26820 1
43 . 1 1 5 5 THR H H 1 8.194 0.020 . 1 . . . . 5 THR H . 26820 1
44 . 1 1 5 5 THR HA H 1 4.575 0.020 . 1 . . . . 5 THR HA . 26820 1
45 . 1 1 5 5 THR HB H 1 4.254 0.020 . 1 . . . . 5 THR HB . 26820 1
46 . 1 1 5 5 THR HG21 H 1 1.241 0.020 . 1 . . . . 5 THR QG2 . 26820 1
47 . 1 1 5 5 THR HG22 H 1 1.241 0.020 . 1 . . . . 5 THR QG2 . 26820 1
48 . 1 1 5 5 THR HG23 H 1 1.241 0.020 . 1 . . . . 5 THR QG2 . 26820 1
49 . 1 1 5 5 THR CA C 13 59.982 0.3 . 1 . . . . 5 THR CA . 26820 1
50 . 1 1 5 5 THR CB C 13 69.340 0.3 . 1 . . . . 5 THR CB . 26820 1
51 . 1 1 5 5 THR CG2 C 13 21.673 0.3 . 1 . . . . 5 THR CG2 . 26820 1
52 . 1 1 5 5 THR N N 15 116.992 0.3 . 1 . . . . 5 THR N . 26820 1
53 . 1 1 6 6 PRO HA H 1 4.372 0.020 . 1 . . . . 6 PRO HA . 26820 1
54 . 1 1 6 6 PRO HB2 H 1 2.311 0.020 . 2 . . . . 6 PRO HB2 . 26820 1
55 . 1 1 6 6 PRO HB3 H 1 1.932 0.020 . 2 . . . . 6 PRO HB3 . 26820 1
56 . 1 1 6 6 PRO HG2 H 1 2.074 0.020 . 2 . . . . 6 PRO HG2 . 26820 1
57 . 1 1 6 6 PRO HG3 H 1 1.993 0.020 . 2 . . . . 6 PRO HG3 . 26820 1
58 . 1 1 6 6 PRO HD2 H 1 3.835 0.020 . 2 . . . . 6 PRO HD2 . 26820 1
59 . 1 1 6 6 PRO HD3 H 1 3.728 0.020 . 2 . . . . 6 PRO HD3 . 26820 1
60 . 1 1 6 6 PRO CA C 13 64.249 0.3 . 1 . . . . 6 PRO CA . 26820 1
61 . 1 1 6 6 PRO CB C 13 32.136 0.3 . 1 . . . . 6 PRO CB . 26820 1
62 . 1 1 6 6 PRO CG C 13 27.735 0.3 . 1 . . . . 6 PRO CG . 26820 1
63 . 1 1 6 6 PRO CD C 13 50.969 0.3 . 1 . . . . 6 PRO CD . 26820 1
64 . 1 1 7 7 CYS H H 1 8.421 0.020 . 1 . . . . 7 CYS H . 26820 1
65 . 1 1 7 7 CYS HA H 1 4.422 0.020 . 1 . . . . 7 CYS HA . 26820 1
66 . 1 1 7 7 CYS HB2 H 1 2.928 0.020 . 1 . . . . 7 CYS HB2 . 26820 1
67 . 1 1 7 7 CYS HB3 H 1 2.928 0.020 . 1 . . . . 7 CYS HB3 . 26820 1
68 . 1 1 7 7 CYS CA C 13 59.415 0.3 . 1 . . . . 7 CYS CA . 26820 1
69 . 1 1 7 7 CYS CB C 13 27.684 0.3 . 1 . . . . 7 CYS CB . 26820 1
70 . 1 1 7 7 CYS N N 15 118.836 0.3 . 1 . . . . 7 CYS N . 26820 1
71 . 1 1 8 8 GLU H H 1 8.306 0.020 . 1 . . . . 8 GLU H . 26820 1
72 . 1 1 8 8 GLU HA H 1 4.290 0.020 . 1 . . . . 8 GLU HA . 26820 1
73 . 1 1 8 8 GLU HB2 H 1 2.057 0.020 . 2 . . . . 8 GLU HB2 . 26820 1
74 . 1 1 8 8 GLU HB3 H 1 2.012 0.020 . 2 . . . . 8 GLU HB3 . 26820 1
75 . 1 1 8 8 GLU HG2 H 1 2.528 0.020 . 1 . . . . 8 GLU HG2 . 26820 1
76 . 1 1 8 8 GLU HG3 H 1 2.528 0.020 . 1 . . . . 8 GLU HG3 . 26820 1
77 . 1 1 8 8 GLU CA C 13 56.508 0.3 . 1 . . . . 8 GLU CA . 26820 1
78 . 1 1 8 8 GLU CB C 13 28.887 0.3 . 1 . . . . 8 GLU CB . 26820 1
79 . 1 1 8 8 GLU CG C 13 33.150 0.3 . 1 . . . . 8 GLU CG . 26820 1
80 . 1 1 8 8 GLU N N 15 122.971 0.3 . 1 . . . . 8 GLU N . 26820 1
81 . 1 1 9 9 LYS H H 1 8.295 0.020 . 1 . . . . 9 LYS H . 26820 1
82 . 1 1 9 9 LYS HA H 1 4.199 0.020 . 1 . . . . 9 LYS HA . 26820 1
83 . 1 1 9 9 LYS HB2 H 1 1.743 0.020 . 1 . . . . 9 LYS HB2 . 26820 1
84 . 1 1 9 9 LYS HB3 H 1 1.743 0.020 . 1 . . . . 9 LYS HB3 . 26820 1
85 . 1 1 9 9 LYS HG2 H 1 1.416 0.020 . 2 . . . . 9 LYS HG2 . 26820 1
86 . 1 1 9 9 LYS HG3 H 1 1.345 0.020 . 2 . . . . 9 LYS HG3 . 26820 1
87 . 1 1 9 9 LYS HD2 H 1 1.697 0.020 . 1 . . . . 9 LYS HD2 . 26820 1
88 . 1 1 9 9 LYS HD3 H 1 1.697 0.020 . 1 . . . . 9 LYS HD3 . 26820 1
89 . 1 1 9 9 LYS HE2 H 1 3.004 0.020 . 1 . . . . 9 LYS HE2 . 26820 1
90 . 1 1 9 9 LYS HE3 H 1 3.004 0.020 . 1 . . . . 9 LYS HE3 . 26820 1
91 . 1 1 9 9 LYS CA C 13 57.334 0.3 . 1 . . . . 9 LYS CA . 26820 1
92 . 1 1 9 9 LYS CB C 13 33.037 0.3 . 1 . . . . 9 LYS CB . 26820 1
93 . 1 1 9 9 LYS CG C 13 25.197 0.3 . 1 . . . . 9 LYS CG . 26820 1
94 . 1 1 9 9 LYS CD C 13 29.258 0.3 . 1 . . . . 9 LYS CD . 26820 1
95 . 1 1 9 9 LYS CE C 13 42.209 0.3 . 1 . . . . 9 LYS CE . 26820 1
96 . 1 1 9 9 LYS N N 15 121.986 0.3 . 1 . . . . 9 LYS N . 26820 1
97 . 1 1 10 10 HIS H H 1 8.467 0.020 . 1 . . . . 10 HIS H . 26820 1
98 . 1 1 10 10 HIS HA H 1 4.676 0.020 . 1 . . . . 10 HIS HA . 26820 1
99 . 1 1 10 10 HIS HB2 H 1 3.268 0.020 . 2 . . . . 10 HIS HB2 . 26820 1
100 . 1 1 10 10 HIS HB3 H 1 3.184 0.020 . 2 . . . . 10 HIS HB3 . 26820 1
101 . 1 1 10 10 HIS HD2 H 1 7.281 0.020 . 1 . . . . 10 HIS HD2 . 26820 1
102 . 1 1 10 10 HIS HE1 H 1 8.624 0.020 . 1 . . . . 10 HIS HE1 . 26820 1
103 . 1 1 10 10 HIS CB C 13 28.778 0.3 . 1 . . . . 10 HIS CB . 26820 1
104 . 1 1 10 10 HIS N N 15 119.422 0.3 . 1 . . . . 10 HIS N . 26820 1
105 . 1 1 11 11 ILE H H 1 8.162 0.020 . 1 . . . . 11 ILE H . 26820 1
106 . 1 1 11 11 ILE HA H 1 4.080 0.020 . 1 . . . . 11 ILE HA . 26820 1
107 . 1 1 11 11 ILE HB H 1 1.846 0.020 . 1 . . . . 11 ILE HB . 26820 1
108 . 1 1 11 11 ILE HG12 H 1 1.470 0.020 . 2 . . . . 11 ILE HG12 . 26820 1
109 . 1 1 11 11 ILE HG13 H 1 1.158 0.020 . 2 . . . . 11 ILE HG13 . 26820 1
110 . 1 1 11 11 ILE HG21 H 1 0.889 0.020 . 1 . . . . 11 ILE QG2 . 26820 1
111 . 1 1 11 11 ILE HG22 H 1 0.889 0.020 . 1 . . . . 11 ILE QG2 . 26820 1
112 . 1 1 11 11 ILE HG23 H 1 0.889 0.020 . 1 . . . . 11 ILE QG2 . 26820 1
113 . 1 1 11 11 ILE HD11 H 1 0.837 0.020 . 1 . . . . 11 ILE QD1 . 26820 1
114 . 1 1 11 11 ILE HD12 H 1 0.837 0.020 . 1 . . . . 11 ILE QD1 . 26820 1
115 . 1 1 11 11 ILE HD13 H 1 0.837 0.020 . 1 . . . . 11 ILE QD1 . 26820 1
116 . 1 1 11 11 ILE CA C 13 62.090 0.3 . 1 . . . . 11 ILE CA . 26820 1
117 . 1 1 11 11 ILE CB C 13 38.656 0.3 . 1 . . . . 11 ILE CB . 26820 1
118 . 1 1 11 11 ILE CG1 C 13 27.713 0.3 . 1 . . . . 11 ILE CG1 . 26820 1
119 . 1 1 11 11 ILE CG2 C 13 17.607 0.3 . 1 . . . . 11 ILE CG2 . 26820 1
120 . 1 1 11 11 ILE CD1 C 13 13.040 0.3 . 1 . . . . 11 ILE CD1 . 26820 1
121 . 1 1 11 11 ILE N N 15 122.378 0.3 . 1 . . . . 11 ILE N . 26820 1
122 . 1 1 12 12 MET H H 1 8.409 0.020 . 1 . . . . 12 MET H . 26820 1
123 . 1 1 12 12 MET HA H 1 4.444 0.020 . 1 . . . . 12 MET HA . 26820 1
124 . 1 1 12 12 MET HB2 H 1 2.074 0.020 . 2 . . . . 12 MET HB2 . 26820 1
125 . 1 1 12 12 MET HB3 H 1 2.016 0.020 . 2 . . . . 12 MET HB3 . 26820 1
126 . 1 1 12 12 MET HG2 H 1 2.601 0.020 . 2 . . . . 12 MET HG2 . 26820 1
127 . 1 1 12 12 MET HG3 H 1 2.529 0.020 . 2 . . . . 12 MET HG3 . 26820 1
128 . 1 1 12 12 MET HE1 H 1 2.093 0.020 . 1 . . . . 12 MET QE . 26820 1
129 . 1 1 12 12 MET HE2 H 1 2.093 0.020 . 1 . . . . 12 MET QE . 26820 1
130 . 1 1 12 12 MET HE3 H 1 2.093 0.020 . 1 . . . . 12 MET QE . 26820 1
131 . 1 1 12 12 MET CA C 13 56.098 0.3 . 1 . . . . 12 MET CA . 26820 1
132 . 1 1 12 12 MET CB C 13 32.618 0.3 . 1 . . . . 12 MET CB . 26820 1
133 . 1 1 12 12 MET CG C 13 32.181 0.3 . 1 . . . . 12 MET CG . 26820 1
134 . 1 1 12 12 MET CE C 13 17.045 0.3 . 1 . . . . 12 MET CE . 26820 1
135 . 1 1 12 12 MET N N 15 123.949 0.3 . 1 . . . . 12 MET N . 26820 1
136 . 1 1 13 13 GLU H H 1 8.270 0.020 . 1 . . . . 13 GLU H . 26820 1
137 . 1 1 13 13 GLU HA H 1 4.312 0.020 . 1 . . . . 13 GLU HA . 26820 1
138 . 1 1 13 13 GLU HB2 H 1 2.064 0.020 . 2 . . . . 13 GLU HB2 . 26820 1
139 . 1 1 13 13 GLU HB3 H 1 1.987 0.020 . 2 . . . . 13 GLU HB3 . 26820 1
140 . 1 1 13 13 GLU HG2 H 1 2.430 0.020 . 1 . . . . 13 GLU HG2 . 26820 1
141 . 1 1 13 13 GLU HG3 H 1 2.430 0.020 . 1 . . . . 13 GLU HG3 . 26820 1
142 . 1 1 13 13 GLU CA C 13 56.365 0.3 . 1 . . . . 13 GLU CA . 26820 1
143 . 1 1 13 13 GLU CB C 13 29.474 0.3 . 1 . . . . 13 GLU CB . 26820 1
144 . 1 1 13 13 GLU CG C 13 33.094 0.3 . 1 . . . . 13 GLU CG . 26820 1
145 . 1 1 13 13 GLU N N 15 121.847 0.3 . 1 . . . . 13 GLU N . 26820 1
146 . 1 1 14 14 LYS H H 1 8.282 0.020 . 1 . . . . 14 LYS H . 26820 1
147 . 1 1 14 14 LYS HA H 1 4.289 0.020 . 1 . . . . 14 LYS HA . 26820 1
148 . 1 1 14 14 LYS HB2 H 1 1.807 0.020 . 2 . . . . 14 LYS HB2 . 26820 1
149 . 1 1 14 14 LYS HB3 H 1 1.757 0.020 . 2 . . . . 14 LYS HB3 . 26820 1
150 . 1 1 14 14 LYS HG2 H 1 1.494 0.020 . 2 . . . . 14 LYS HG2 . 26820 1
151 . 1 1 14 14 LYS HG3 H 1 1.428 0.020 . 2 . . . . 14 LYS HG3 . 26820 1
152 . 1 1 14 14 LYS HD2 H 1 1.673 0.020 . 1 . . . . 14 LYS HD2 . 26820 1
153 . 1 1 14 14 LYS HD3 H 1 1.673 0.020 . 1 . . . . 14 LYS HD3 . 26820 1
154 . 1 1 14 14 LYS HE2 H 1 3.035 0.020 . 1 . . . . 14 LYS HE2 . 26820 1
155 . 1 1 14 14 LYS HE3 H 1 3.035 0.020 . 1 . . . . 14 LYS HE3 . 26820 1
156 . 1 1 14 14 LYS CA C 13 56.809 0.3 . 1 . . . . 14 LYS CA . 26820 1
157 . 1 1 14 14 LYS CB C 13 32.878 0.3 . 1 . . . . 14 LYS CB . 26820 1
158 . 1 1 14 14 LYS CG C 13 24.948 0.3 . 1 . . . . 14 LYS CG . 26820 1
159 . 1 1 14 14 LYS CD C 13 29.214 0.3 . 1 . . . . 14 LYS CD . 26820 1
160 . 1 1 14 14 LYS CE C 13 42.294 0.3 . 1 . . . . 14 LYS CE . 26820 1
161 . 1 1 14 14 LYS N N 15 122.668 0.3 . 1 . . . . 14 LYS N . 26820 1
162 . 1 1 15 15 ILE H H 1 8.159 0.020 . 1 . . . . 15 ILE H . 26820 1
163 . 1 1 15 15 ILE HA H 1 4.130 0.020 . 1 . . . . 15 ILE HA . 26820 1
164 . 1 1 15 15 ILE HB H 1 1.841 0.020 . 1 . . . . 15 ILE HB . 26820 1
165 . 1 1 15 15 ILE HG12 H 1 1.465 0.020 . 2 . . . . 15 ILE HG12 . 26820 1
166 . 1 1 15 15 ILE HG13 H 1 1.173 0.020 . 2 . . . . 15 ILE HG13 . 26820 1
167 . 1 1 15 15 ILE HG21 H 1 0.885 0.020 . 1 . . . . 15 ILE QG2 . 26820 1
168 . 1 1 15 15 ILE HG22 H 1 0.885 0.020 . 1 . . . . 15 ILE QG2 . 26820 1
169 . 1 1 15 15 ILE HG23 H 1 0.885 0.020 . 1 . . . . 15 ILE QG2 . 26820 1
170 . 1 1 15 15 ILE HD11 H 1 0.842 0.020 . 1 . . . . 15 ILE QD1 . 26820 1
171 . 1 1 15 15 ILE HD12 H 1 0.842 0.020 . 1 . . . . 15 ILE QD1 . 26820 1
172 . 1 1 15 15 ILE HD13 H 1 0.842 0.020 . 1 . . . . 15 ILE QD1 . 26820 1
173 . 1 1 15 15 ILE CA C 13 61.575 0.3 . 1 . . . . 15 ILE CA . 26820 1
174 . 1 1 15 15 ILE CB C 13 38.694 0.3 . 1 . . . . 15 ILE CB . 26820 1
175 . 1 1 15 15 ILE CG1 C 13 27.580 0.3 . 1 . . . . 15 ILE CG1 . 26820 1
176 . 1 1 15 15 ILE CG2 C 13 17.607 0.3 . 1 . . . . 15 ILE CG2 . 26820 1
177 . 1 1 15 15 ILE CD1 C 13 13.058 0.3 . 1 . . . . 15 ILE CD1 . 26820 1
178 . 1 1 15 15 ILE N N 15 122.428 0.3 . 1 . . . . 15 ILE N . 26820 1
179 . 1 1 16 16 GLN H H 1 8.473 0.020 . 1 . . . . 16 GLN H . 26820 1
180 . 1 1 16 16 GLN HA H 1 4.327 0.020 . 1 . . . . 16 GLN HA . 26820 1
181 . 1 1 16 16 GLN HB2 H 1 2.088 0.020 . 2 . . . . 16 GLN HB2 . 26820 1
182 . 1 1 16 16 GLN HB3 H 1 2.004 0.020 . 2 . . . . 16 GLN HB3 . 26820 1
183 . 1 1 16 16 GLN HG2 H 1 2.382 0.020 . 1 . . . . 16 GLN HG2 . 26820 1
184 . 1 1 16 16 GLN HG3 H 1 2.382 0.020 . 1 . . . . 16 GLN HG3 . 26820 1
185 . 1 1 16 16 GLN HE21 H 1 7.586 0.020 . 1 . . . . 16 GLN HE21 . 26820 1
186 . 1 1 16 16 GLN HE22 H 1 6.911 0.020 . 1 . . . . 16 GLN HE22 . 26820 1
187 . 1 1 16 16 GLN CA C 13 56.313 0.3 . 1 . . . . 16 GLN CA . 26820 1
188 . 1 1 16 16 GLN CB C 13 28.934 0.3 . 1 . . . . 16 GLN CB . 26820 1
189 . 1 1 16 16 GLN CG C 13 33.950 0.3 . 1 . . . . 16 GLN CG . 26820 1
190 . 1 1 16 16 GLN N N 15 124.653 0.3 . 1 . . . . 16 GLN N . 26820 1
191 . 1 1 16 16 GLN NE2 N 15 113.059 0.3 . 1 . . . . 16 GLN NE2 . 26820 1
192 . 1 1 17 17 GLY H H 1 8.433 0.020 . 1 . . . . 17 GLY H . 26820 1
193 . 1 1 17 17 GLY HA2 H 1 3.973 0.020 . 1 . . . . 17 GLY HA2 . 26820 1
194 . 1 1 17 17 GLY HA3 H 1 3.973 0.020 . 1 . . . . 17 GLY HA3 . 26820 1
195 . 1 1 17 17 GLY CA C 13 45.585 0.3 . 1 . . . . 17 GLY CA . 26820 1
196 . 1 1 17 17 GLY N N 15 110.654 0.3 . 1 . . . . 17 GLY N . 26820 1
197 . 1 1 18 18 ARG H H 1 8.249 0.020 . 1 . . . . 18 ARG H . 26820 1
198 . 1 1 18 18 ARG HA H 1 4.375 0.020 . 1 . . . . 18 ARG HA . 26820 1
199 . 1 1 18 18 ARG HB2 H 1 1.903 0.020 . 2 . . . . 18 ARG HB2 . 26820 1
200 . 1 1 18 18 ARG HB3 H 1 1.761 0.020 . 2 . . . . 18 ARG HB3 . 26820 1
201 . 1 1 18 18 ARG HG2 H 1 1.639 0.020 . 1 . . . . 18 ARG HG2 . 26820 1
202 . 1 1 18 18 ARG HG3 H 1 1.639 0.020 . 1 . . . . 18 ARG HG3 . 26820 1
203 . 1 1 18 18 ARG HD2 H 1 3.202 0.020 . 1 . . . . 18 ARG HD2 . 26820 1
204 . 1 1 18 18 ARG HD3 H 1 3.202 0.020 . 1 . . . . 18 ARG HD3 . 26820 1
205 . 1 1 18 18 ARG HE H 1 7.225 0.020 . 1 . . . . 18 ARG HE . 26820 1
206 . 1 1 18 18 ARG CA C 13 56.363 0.3 . 1 . . . . 18 ARG CA . 26820 1
207 . 1 1 18 18 ARG CB C 13 30.851 0.3 . 1 . . . . 18 ARG CB . 26820 1
208 . 1 1 18 18 ARG CG C 13 27.228 0.3 . 1 . . . . 18 ARG CG . 26820 1
209 . 1 1 18 18 ARG CD C 13 43.519 0.3 . 1 . . . . 18 ARG CD . 26820 1
210 . 1 1 18 18 ARG N N 15 120.550 0.3 . 1 . . . . 18 ARG N . 26820 1
211 . 1 1 18 18 ARG NE N 15 84.822 0.3 . 1 . . . . 18 ARG NE . 26820 1
212 . 1 1 19 19 GLY H H 1 8.504 0.020 . 1 . . . . 19 GLY H . 26820 1
213 . 1 1 19 19 GLY HA2 H 1 3.957 0.020 . 1 . . . . 19 GLY HA2 . 26820 1
214 . 1 1 19 19 GLY HA3 H 1 3.957 0.020 . 1 . . . . 19 GLY HA3 . 26820 1
215 . 1 1 19 19 GLY CA C 13 45.551 0.3 . 1 . . . . 19 GLY CA . 26820 1
216 . 1 1 19 19 GLY N N 15 110.141 0.3 . 1 . . . . 19 GLY N . 26820 1
217 . 1 1 20 20 ASP H H 1 8.332 0.020 . 1 . . . . 20 ASP H . 26820 1
218 . 1 1 20 20 ASP HA H 1 4.678 0.020 . 1 . . . . 20 ASP HA . 26820 1
219 . 1 1 20 20 ASP HB2 H 1 2.889 0.020 . 2 . . . . 20 ASP HB2 . 26820 1
220 . 1 1 20 20 ASP HB3 H 1 2.783 0.020 . 2 . . . . 20 ASP HB3 . 26820 1
221 . 1 1 20 20 ASP CA C 13 53.070 0.3 . 1 . . . . 20 ASP CA . 26820 1
222 . 1 1 20 20 ASP CB C 13 38.345 0.3 . 1 . . . . 20 ASP CB . 26820 1
223 . 1 1 20 20 ASP N N 15 119.318 0.3 . 1 . . . . 20 ASP N . 26820 1
224 . 1 1 21 21 ASP H H 1 8.437 0.020 . 1 . . . . 21 ASP H . 26820 1
225 . 1 1 21 21 ASP HA H 1 4.673 0.020 . 1 . . . . 21 ASP HA . 26820 1
226 . 1 1 21 21 ASP HB2 H 1 2.887 0.020 . 2 . . . . 21 ASP HB2 . 26820 1
227 . 1 1 21 21 ASP HB3 H 1 2.781 0.020 . 2 . . . . 21 ASP HB3 . 26820 1
228 . 1 1 21 21 ASP CA C 13 53.419 0.3 . 1 . . . . 21 ASP CA . 26820 1
229 . 1 1 21 21 ASP CB C 13 38.347 0.3 . 1 . . . . 21 ASP CB . 26820 1
230 . 1 1 21 21 ASP N N 15 119.535 0.3 . 1 . . . . 21 ASP N . 26820 1
231 . 1 1 22 22 ASP H H 1 8.314 0.020 . 1 . . . . 22 ASP H . 26820 1
232 . 1 1 22 22 ASP HA H 1 4.671 0.020 . 1 . . . . 22 ASP HA . 26820 1
233 . 1 1 22 22 ASP HB2 H 1 2.888 0.020 . 2 . . . . 22 ASP HB2 . 26820 1
234 . 1 1 22 22 ASP HB3 H 1 2.797 0.020 . 2 . . . . 22 ASP HB3 . 26820 1
235 . 1 1 22 22 ASP CA C 13 53.421 0.3 . 1 . . . . 22 ASP CA . 26820 1
236 . 1 1 22 22 ASP CB C 13 38.345 0.3 . 1 . . . . 22 ASP CB . 26820 1
237 . 1 1 22 22 ASP N N 15 119.221 0.3 . 1 . . . . 22 ASP N . 26820 1
238 . 1 1 23 23 ASP H H 1 8.314 0.020 . 1 . . . . 23 ASP H . 26820 1
239 . 1 1 23 23 ASP HA H 1 4.671 0.020 . 1 . . . . 23 ASP HA . 26820 1
240 . 1 1 23 23 ASP HB2 H 1 2.888 0.020 . 2 . . . . 23 ASP HB2 . 26820 1
241 . 1 1 23 23 ASP HB3 H 1 2.797 0.020 . 2 . . . . 23 ASP HB3 . 26820 1
242 . 1 1 23 23 ASP CA C 13 53.421 0.3 . 1 . . . . 23 ASP CA . 26820 1
243 . 1 1 23 23 ASP CB C 13 38.345 0.3 . 1 . . . . 23 ASP CB . 26820 1
244 . 1 1 23 23 ASP N N 15 119.221 0.3 . 1 . . . . 23 ASP N . 26820 1
245 . 1 1 24 24 ASP H H 1 8.314 0.020 . 1 . . . . 24 ASP H . 26820 1
246 . 1 1 24 24 ASP HA H 1 4.671 0.020 . 1 . . . . 24 ASP HA . 26820 1
247 . 1 1 24 24 ASP HB2 H 1 2.888 0.020 . 2 . . . . 24 ASP HB2 . 26820 1
248 . 1 1 24 24 ASP HB3 H 1 2.797 0.020 . 2 . . . . 24 ASP HB3 . 26820 1
249 . 1 1 24 24 ASP CA C 13 53.421 0.3 . 1 . . . . 24 ASP CA . 26820 1
250 . 1 1 24 24 ASP CB C 13 38.345 0.3 . 1 . . . . 24 ASP CB . 26820 1
251 . 1 1 24 24 ASP N N 15 119.221 0.3 . 1 . . . . 24 ASP N . 26820 1
252 . 1 1 25 25 ASP H H 1 8.314 0.020 . 1 . . . . 25 ASP H . 26820 1
253 . 1 1 25 25 ASP HA H 1 4.671 0.020 . 1 . . . . 25 ASP HA . 26820 1
254 . 1 1 25 25 ASP HB2 H 1 2.888 0.020 . 2 . . . . 25 ASP HB2 . 26820 1
255 . 1 1 25 25 ASP HB3 H 1 2.797 0.020 . 2 . . . . 25 ASP HB3 . 26820 1
256 . 1 1 25 25 ASP CA C 13 53.421 0.3 . 1 . . . . 25 ASP CA . 26820 1
257 . 1 1 25 25 ASP CB C 13 38.345 0.3 . 1 . . . . 25 ASP CB . 26820 1
258 . 1 1 25 25 ASP N N 15 119.221 0.3 . 1 . . . . 25 ASP N . 26820 1
259 . 1 1 26 26 ASP H H 1 8.314 0.020 . 1 . . . . 26 ASP H . 26820 1
260 . 1 1 26 26 ASP HA H 1 4.671 0.020 . 1 . . . . 26 ASP HA . 26820 1
261 . 1 1 26 26 ASP HB2 H 1 2.888 0.020 . 2 . . . . 26 ASP HB2 . 26820 1
262 . 1 1 26 26 ASP HB3 H 1 2.797 0.020 . 2 . . . . 26 ASP HB3 . 26820 1
263 . 1 1 26 26 ASP CA C 13 53.421 0.3 . 1 . . . . 26 ASP CA . 26820 1
264 . 1 1 26 26 ASP CB C 13 38.345 0.3 . 1 . . . . 26 ASP CB . 26820 1
265 . 1 1 26 26 ASP N N 15 119.221 0.3 . 1 . . . . 26 ASP N . 26820 1
266 . 1 1 27 27 ASP H H 1 8.293 0.020 . 1 . . . . 27 ASP H . 26820 1
267 . 1 1 27 27 ASP HA H 1 4.737 0.020 . 1 . . . . 27 ASP HA . 26820 1
268 . 1 1 27 27 ASP HB2 H 1 2.898 0.020 . 2 . . . . 27 ASP HB2 . 26820 1
269 . 1 1 27 27 ASP HB3 H 1 2.794 0.020 . 2 . . . . 27 ASP HB3 . 26820 1
270 . 1 1 27 27 ASP CA C 13 53.422 0.3 . 1 . . . . 27 ASP CA . 26820 1
271 . 1 1 27 27 ASP CB C 13 38.347 0.3 . 1 . . . . 27 ASP CB . 26820 1
272 . 1 1 27 27 ASP N N 15 119.307 0.3 . 1 . . . . 27 ASP N . 26820 1
273 . 1 1 28 28 ASP H H 1 8.011 0.020 . 1 . . . . 28 ASP H . 26820 1
274 . 1 1 28 28 ASP HA H 1 4.573 0.020 . 1 . . . . 28 ASP HA . 26820 1
275 . 1 1 28 28 ASP HB2 H 1 2.835 0.020 . 1 . . . . 28 ASP HB2 . 26820 1
276 . 1 1 28 28 ASP HB3 H 1 2.835 0.020 . 1 . . . . 28 ASP HB3 . 26820 1
277 . 1 1 28 28 ASP CB C 13 39.131 0.3 . 1 . . . . 28 ASP CB . 26820 1
278 . 1 1 28 28 ASP N N 15 122.591 0.3 . 1 . . . . 28 ASP N . 26820 1
stop_
save_