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 19275
_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 .
_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-13C HSQC' . . . 19275 1
2 '2D DQF-COSY' . . . 19275 1
3 '2D 1H-1H TOCSY' . . . 19275 1
4 '2D 1H-1H NOESY' . . . 19275 1
5 '2D 1H-13C HSQC' . . . 19275 1
6 '2D 1H-1H TOCSY' . . . 19275 1
7 '2D DQF-COSY' . . . 19275 1
8 '2D 1H-1H NOESY' . . . 19275 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 ALA HA H 1 4.0600 0.02 . 1 . . . A 1 ALA HA . 19275 1
2 . 1 1 1 1 ALA HB1 H 1 1.4840 0.02 . 1 . . . A 1 ALA HB1 . 19275 1
3 . 1 1 1 1 ALA HB2 H 1 1.4840 0.02 . 1 . . . A 1 ALA HB2 . 19275 1
4 . 1 1 1 1 ALA HB3 H 1 1.4840 0.02 . 1 . . . A 1 ALA HB3 . 19275 1
5 . 1 1 1 1 ALA CA C 13 51.5700 0.3 . 1 . . . A 1 ALA CA . 19275 1
6 . 1 1 1 1 ALA CB C 13 19.1900 0.3 . 1 . . . A 1 ALA CB . 19275 1
7 . 1 1 2 2 ASP H H 1 8.6560 0.02 . 1 . . . A 2 ASP H . 19275 1
8 . 1 1 2 2 ASP HA H 1 4.6530 0.02 . 1 . . . A 2 ASP HA . 19275 1
9 . 1 1 2 2 ASP HB2 H 1 2.7100 0.02 . 2 . . . A 2 ASP HB2 . 19275 1
10 . 1 1 2 2 ASP HB3 H 1 2.5970 0.02 . 2 . . . A 2 ASP HB3 . 19275 1
11 . 1 1 2 2 ASP CA C 13 54.2780 0.3 . 1 . . . A 2 ASP CA . 19275 1
12 . 1 1 2 2 ASP CB C 13 41.6370 0.3 . 1 . . . A 2 ASP CB . 19275 1
13 . 1 1 3 3 ARG H H 1 8.5400 0.02 . 1 . . . A 3 ARG H . 19275 1
14 . 1 1 3 3 ARG HA H 1 4.2460 0.02 . 1 . . . A 3 ARG HA . 19275 1
15 . 1 1 3 3 ARG HB2 H 1 1.7000 0.02 . 2 . . . A 3 ARG HB2 . 19275 1
16 . 1 1 3 3 ARG HB3 H 1 1.7830 0.02 . 2 . . . A 3 ARG HB3 . 19275 1
17 . 1 1 3 3 ARG HG2 H 1 1.5970 0.02 . 2 . . . A 3 ARG HG2 . 19275 1
18 . 1 1 3 3 ARG HG3 H 1 1.5970 0.02 . 2 . . . A 3 ARG HG3 . 19275 1
19 . 1 1 3 3 ARG HD2 H 1 3.1520 0.02 . 2 . . . A 3 ARG HD2 . 19275 1
20 . 1 1 3 3 ARG HD3 H 1 3.1520 0.02 . 2 . . . A 3 ARG HD3 . 19275 1
21 . 1 1 3 3 ARG CA C 13 56.3000 0.3 . 1 . . . A 3 ARG CA . 19275 1
22 . 1 1 3 3 ARG CB C 13 30.4870 0.3 . 1 . . . A 3 ARG CB . 19275 1
23 . 1 1 3 3 ARG CG C 13 26.9880 0.3 . 1 . . . A 3 ARG CG . 19275 1
24 . 1 1 3 3 ARG CD C 13 43.3000 0.3 . 1 . . . A 3 ARG CD . 19275 1
25 . 1 1 4 4 GLY H H 1 8.5040 0.02 . 1 . . . A 4 GLY H . 19275 1
26 . 1 1 4 4 GLY HA2 H 1 3.9080 0.02 . 2 . . . A 4 GLY HA2 . 19275 1
27 . 1 1 4 4 GLY HA3 H 1 3.9080 0.02 . 2 . . . A 4 GLY HA3 . 19275 1
28 . 1 1 4 4 GLY CA C 13 45.3730 0.3 . 1 . . . A 4 GLY CA . 19275 1
29 . 1 1 5 5 TRP H H 1 7.9430 0.02 . 1 . . . A 5 TRP H . 19275 1
30 . 1 1 5 5 TRP HA H 1 4.6570 0.02 . 1 . . . A 5 TRP HA . 19275 1
31 . 1 1 5 5 TRP HB2 H 1 3.2800 0.02 . 2 . . . A 5 TRP HB2 . 19275 1
32 . 1 1 5 5 TRP HB3 H 1 3.2460 0.02 . 2 . . . A 5 TRP HB3 . 19275 1
33 . 1 1 5 5 TRP HD1 H 1 7.2340 0.02 . 1 . . . A 5 TRP HD1 . 19275 1
34 . 1 1 5 5 TRP HE1 H 1 10.2030 0.02 . 1 . . . A 5 TRP HE1 . 19275 1
35 . 1 1 5 5 TRP HE3 H 1 7.6080 0.02 . 1 . . . A 5 TRP HE3 . 19275 1
36 . 1 1 5 5 TRP HZ2 H 1 7.5150 0.02 . 1 . . . A 5 TRP HZ2 . 19275 1
37 . 1 1 5 5 TRP HZ3 H 1 7.1510 0.02 . 1 . . . A 5 TRP HZ3 . 19275 1
38 . 1 1 5 5 TRP HH2 H 1 7.2360 0.02 . 1 . . . A 5 TRP HH2 . 19275 1
39 . 1 1 5 5 TRP CA C 13 57.2000 0.3 . 1 . . . A 5 TRP CA . 19275 1
40 . 1 1 5 5 TRP CB C 13 29.6180 0.3 . 1 . . . A 5 TRP CB . 19275 1
41 . 1 1 5 5 TRP CD1 C 13 127.0200 0.3 . 1 . . . A 5 TRP CD1 . 19275 1
42 . 1 1 5 5 TRP CE3 C 13 121.0200 0.3 . 1 . . . A 5 TRP CE3 . 19275 1
43 . 1 1 5 5 TRP CZ2 C 13 114.5800 0.3 . 1 . . . A 5 TRP CZ2 . 19275 1
44 . 1 1 5 5 TRP CZ3 C 13 122.1200 0.3 . 1 . . . A 5 TRP CZ3 . 19275 1
45 . 1 1 5 5 TRP CH2 C 13 124.6900 0.3 . 1 . . . A 5 TRP CH2 . 19275 1
46 . 1 1 6 6 ILE H H 1 7.9960 0.02 . 1 . . . A 6 ILE H . 19275 1
47 . 1 1 6 6 ILE HA H 1 4.0090 0.02 . 1 . . . A 6 ILE HA . 19275 1
48 . 1 1 6 6 ILE HB H 1 1.6980 0.02 . 1 . . . A 6 ILE HB . 19275 1
49 . 1 1 6 6 ILE HG12 H 1 1.3410 0.02 . 2 . . . A 6 ILE HG12 . 19275 1
50 . 1 1 6 6 ILE HG13 H 1 0.9990 0.02 . 2 . . . A 6 ILE HG13 . 19275 1
51 . 1 1 6 6 ILE HG21 H 1 0.8090 0.02 . 1 . . . A 6 ILE HG21 . 19275 1
52 . 1 1 6 6 ILE HG22 H 1 0.8090 0.02 . 1 . . . A 6 ILE HG22 . 19275 1
53 . 1 1 6 6 ILE HG23 H 1 0.8090 0.02 . 1 . . . A 6 ILE HG23 . 19275 1
54 . 1 1 6 6 ILE HD11 H 1 0.7860 0.02 . 1 . . . A 6 ILE HD11 . 19275 1
55 . 1 1 6 6 ILE HD12 H 1 0.7860 0.02 . 1 . . . A 6 ILE HD12 . 19275 1
56 . 1 1 6 6 ILE HD13 H 1 0.7860 0.02 . 1 . . . A 6 ILE HD13 . 19275 1
57 . 1 1 6 6 ILE CA C 13 60.5680 0.3 . 1 . . . A 6 ILE CA . 19275 1
58 . 1 1 6 6 ILE CB C 13 39.2790 0.3 . 1 . . . A 6 ILE CB . 19275 1
59 . 1 1 6 6 ILE CG1 C 13 26.9600 0.3 . 1 . . . A 6 ILE CG1 . 19275 1
60 . 1 1 6 6 ILE CG2 C 13 17.4700 0.3 . 1 . . . A 6 ILE CG2 . 19275 1
61 . 1 1 6 6 ILE CD1 C 13 12.8350 0.3 . 1 . . . A 6 ILE CD1 . 19275 1
62 . 1 1 7 7 LYS H H 1 8.2160 0.02 . 1 . . . A 7 LYS H . 19275 1
63 . 1 1 7 7 LYS HA H 1 4.3010 0.02 . 1 . . . A 7 LYS HA . 19275 1
64 . 1 1 7 7 LYS HB2 H 1 1.7470 0.02 . 2 . . . A 7 LYS HB2 . 19275 1
65 . 1 1 7 7 LYS HB3 H 1 1.7470 0.02 . 2 . . . A 7 LYS HB3 . 19275 1
66 . 1 1 7 7 LYS HG2 H 1 1.3910 0.02 . 2 . . . A 7 LYS HG2 . 19275 1
67 . 1 1 7 7 LYS HG3 H 1 1.4690 0.02 . 2 . . . A 7 LYS HG3 . 19275 1
68 . 1 1 7 7 LYS HD2 H 1 1.6630 0.02 . 2 . . . A 7 LYS HD2 . 19275 1
69 . 1 1 7 7 LYS HD3 H 1 1.6850 0.02 . 2 . . . A 7 LYS HD3 . 19275 1
70 . 1 1 7 7 LYS HE2 H 1 2.9670 0.02 . 2 . . . A 7 LYS HE2 . 19275 1
71 . 1 1 7 7 LYS HE3 H 1 2.9670 0.02 . 2 . . . A 7 LYS HE3 . 19275 1
72 . 1 1 7 7 LYS CA C 13 56.6170 0.3 . 1 . . . A 7 LYS CA . 19275 1
73 . 1 1 7 7 LYS CB C 13 33.1190 0.3 . 1 . . . A 7 LYS CB . 19275 1
74 . 1 1 7 7 LYS CG C 13 24.9550 0.3 . 1 . . . A 7 LYS CG . 19275 1
75 . 1 1 7 7 LYS CD C 13 29.0750 0.3 . 1 . . . A 7 LYS CD . 19275 1
76 . 1 1 7 7 LYS CE C 13 41.8100 0.3 . 1 . . . A 7 LYS CE . 19275 1
77 . 1 1 8 8 DBB CA C 13 61.5570 0.3 . 1 . . . A 8 DBB CA . 19275 1
78 . 1 1 8 8 DBB CB C 13 45.6500 0.3 . 1 . . . A 8 DBB CB . 19275 1
79 . 1 1 8 8 DBB CG C 13 22.2600 0.3 . 1 . . . A 8 DBB CG . 19275 1
80 . 1 1 8 8 DBB H H 1 8.5580 0.02 . 1 . . . A 8 DBB H . 19275 1
81 . 1 1 8 8 DBB HA H 1 4.5580 0.02 . 1 . . . A 8 DBB HA . 19275 1
82 . 1 1 8 8 DBB HB3 H 1 3.6890 0.02 . 1 . . . A 8 DBB HB3 . 19275 1
83 . 1 1 8 8 DBB HG2 H 1 1.3180 0.02 . 1 . . . A 8 DBB HG21 . 19275 1
84 . 1 1 9 9 LEU H H 1 8.0430 0.02 . 1 . . . A 9 LEU H . 19275 1
85 . 1 1 9 9 LEU HA H 1 4.7210 0.02 . 1 . . . A 9 LEU HA . 19275 1
86 . 1 1 9 9 LEU HB2 H 1 1.5230 0.02 . 2 . . . A 9 LEU HB2 . 19275 1
87 . 1 1 9 9 LEU HB3 H 1 1.6580 0.02 . 2 . . . A 9 LEU HB3 . 19275 1
88 . 1 1 9 9 LEU HG H 1 1.4800 0.02 . 1 . . . A 9 LEU HG . 19275 1
89 . 1 1 9 9 LEU HD11 H 1 0.8830 0.02 . 2 . . . A 9 LEU HD11 . 19275 1
90 . 1 1 9 9 LEU HD12 H 1 0.8830 0.02 . 2 . . . A 9 LEU HD12 . 19275 1
91 . 1 1 9 9 LEU HD13 H 1 0.8830 0.02 . 2 . . . A 9 LEU HD13 . 19275 1
92 . 1 1 9 9 LEU HD21 H 1 0.8540 0.02 . 2 . . . A 9 LEU HD21 . 19275 1
93 . 1 1 9 9 LEU HD22 H 1 0.8540 0.02 . 2 . . . A 9 LEU HD22 . 19275 1
94 . 1 1 9 9 LEU HD23 H 1 0.8540 0.02 . 2 . . . A 9 LEU HD23 . 19275 1
95 . 1 1 9 9 LEU CA C 13 54.3100 0.3 . 1 . . . A 9 LEU CA . 19275 1
96 . 1 1 9 9 LEU CB C 13 44.0000 0.3 . 1 . . . A 9 LEU CB . 19275 1
97 . 1 1 9 9 LEU CG C 13 27.3500 0.3 . 1 . . . A 9 LEU CG . 19275 1
98 . 1 1 9 9 LEU CD1 C 13 24.9500 0.3 . 2 . . . A 9 LEU CD1 . 19275 1
99 . 1 1 9 9 LEU CD2 C 13 24.4200 0.3 . 2 . . . A 9 LEU CD2 . 19275 1
100 . 1 1 10 10 DBB CA C 13 59.7100 0.3 . 1 . . . A 10 DBB CA . 19275 1
101 . 1 1 10 10 DBB CB C 13 44.1600 0.3 . 1 . . . A 10 DBB CB . 19275 1
102 . 1 1 10 10 DBB CG C 13 20.9400 0.3 . 1 . . . A 10 DBB CG . 19275 1
103 . 1 1 10 10 DBB H H 1 8.3940 0.02 . 1 . . . A 10 DBB H . 19275 1
104 . 1 1 10 10 DBB HA H 1 4.4930 0.02 . 1 . . . A 10 DBB HA . 19275 1
105 . 1 1 10 10 DBB HB3 H 1 3.2700 0.02 . 1 . . . A 10 DBB HB3 . 19275 1
106 . 1 1 10 10 DBB HG2 H 1 1.2600 0.02 . 1 . . . A 10 DBB HG21 . 19275 1
107 . 1 1 11 11 LYS H H 1 8.7320 0.02 . 1 . . . A 11 LYS H . 19275 1
108 . 1 1 11 11 LYS HA H 1 4.0100 0.02 . 1 . . . A 11 LYS HA . 19275 1
109 . 1 1 11 11 LYS HB2 H 1 1.7670 0.02 . 2 . . . A 11 LYS HB2 . 19275 1
110 . 1 1 11 11 LYS HB3 H 1 1.7670 0.02 . 2 . . . A 11 LYS HB3 . 19275 1
111 . 1 1 11 11 LYS HG2 H 1 1.4440 0.02 . 2 . . . A 11 LYS HG2 . 19275 1
112 . 1 1 11 11 LYS HG3 H 1 1.4400 0.02 . 2 . . . A 11 LYS HG3 . 19275 1
113 . 1 1 11 11 LYS HD2 H 1 1.6700 0.02 . 2 . . . A 11 LYS HD2 . 19275 1
114 . 1 1 11 11 LYS HD3 H 1 1.6700 0.02 . 2 . . . A 11 LYS HD3 . 19275 1
115 . 1 1 11 11 LYS HE2 H 1 2.9680 0.02 . 2 . . . A 11 LYS HE2 . 19275 1
116 . 1 1 11 11 LYS HE3 H 1 2.9680 0.02 . 2 . . . A 11 LYS HE3 . 19275 1
117 . 1 1 11 11 LYS CA C 13 58.0300 0.3 . 1 . . . A 11 LYS CA . 19275 1
118 . 1 1 11 11 LYS CB C 13 32.3000 0.3 . 1 . . . A 11 LYS CB . 19275 1
119 . 1 1 11 11 LYS CG C 13 24.8400 0.3 . 1 . . . A 11 LYS CG . 19275 1
120 . 1 1 11 11 LYS CD C 13 28.9600 0.3 . 1 . . . A 11 LYS CD . 19275 1
121 . 1 1 11 11 LYS CE C 13 41.9000 0.3 . 1 . . . A 11 LYS CE . 19275 1
122 . 1 1 12 12 ASP H H 1 8.4620 0.02 . 1 . . . A 12 ASP H . 19275 1
123 . 1 1 12 12 ASP HA H 1 4.5200 0.02 . 1 . . . A 12 ASP HA . 19275 1
124 . 1 1 12 12 ASP HB2 H 1 2.8040 0.02 . 2 . . . A 12 ASP HB2 . 19275 1
125 . 1 1 12 12 ASP HB3 H 1 2.8810 0.02 . 2 . . . A 12 ASP HB3 . 19275 1
126 . 1 1 12 12 ASP CA C 13 55.6900 0.3 . 1 . . . A 12 ASP CA . 19275 1
127 . 1 1 12 12 ASP CB C 13 38.4000 0.3 . 1 . . . A 12 ASP CB . 19275 1
128 . 1 1 13 13 CYS H H 1 7.3790 0.02 . 1 . . . A 13 CYS H . 19275 1
129 . 1 1 13 13 CYS HA H 1 4.8880 0.02 . 1 . . . A 13 CYS HA . 19275 1
130 . 1 1 13 13 CYS HB2 H 1 2.9820 0.02 . 2 . . . A 13 CYS HB2 . 19275 1
131 . 1 1 13 13 CYS HB3 H 1 2.8730 0.02 . 2 . . . A 13 CYS HB3 . 19275 1
132 . 1 1 13 13 CYS CA C 13 54.2100 0.3 . 1 . . . A 13 CYS CA . 19275 1
133 . 1 1 13 13 CYS CB C 13 38.0390 0.3 . 1 . . . A 13 CYS CB . 19275 1
134 . 1 1 14 14 PRO HA H 1 4.3760 0.02 . 1 . . . A 14 PRO HA . 19275 1
135 . 1 1 14 14 PRO HB2 H 1 1.9380 0.02 . 2 . . . A 14 PRO HB2 . 19275 1
136 . 1 1 14 14 PRO HB3 H 1 2.2300 0.02 . 2 . . . A 14 PRO HB3 . 19275 1
137 . 1 1 14 14 PRO HG2 H 1 1.9650 0.02 . 2 . . . A 14 PRO HG2 . 19275 1
138 . 1 1 14 14 PRO HG3 H 1 2.0030 0.02 . 2 . . . A 14 PRO HG3 . 19275 1
139 . 1 1 14 14 PRO HD2 H 1 3.6230 0.02 . 2 . . . A 14 PRO HD2 . 19275 1
140 . 1 1 14 14 PRO HD3 H 1 3.5540 0.02 . 2 . . . A 14 PRO HD3 . 19275 1
141 . 1 1 14 14 PRO CA C 13 64.0550 0.3 . 1 . . . A 14 PRO CA . 19275 1
142 . 1 1 14 14 PRO CB C 13 32.1420 0.3 . 1 . . . A 14 PRO CB . 19275 1
143 . 1 1 14 14 PRO CG C 13 27.2380 0.3 . 1 . . . A 14 PRO CG . 19275 1
144 . 1 1 14 14 PRO CD C 13 50.3790 0.3 . 1 . . . A 14 PRO CD . 19275 1
145 . 1 1 15 15 ASN H H 1 8.5740 0.02 . 1 . . . A 15 ASN H . 19275 1
146 . 1 1 15 15 ASN HA H 1 4.6850 0.02 . 1 . . . A 15 ASN HA . 19275 1
147 . 1 1 15 15 ASN HB2 H 1 2.8720 0.02 . 2 . . . A 15 ASN HB2 . 19275 1
148 . 1 1 15 15 ASN HB3 H 1 2.7820 0.02 . 2 . . . A 15 ASN HB3 . 19275 1
149 . 1 1 15 15 ASN HD21 H 1 6.9650 0.02 . 2 . . . A 15 ASN HD21 . 19275 1
150 . 1 1 15 15 ASN HD22 H 1 7.6250 0.02 . 2 . . . A 15 ASN HD22 . 19275 1
151 . 1 1 15 15 ASN CA C 13 53.6450 0.3 . 1 . . . A 15 ASN CA . 19275 1
152 . 1 1 15 15 ASN CB C 13 38.6320 0.3 . 1 . . . A 15 ASN CB . 19275 1
153 . 1 1 16 16 VAL H H 1 7.7630 0.02 . 1 . . . A 16 VAL H . 19275 1
154 . 1 1 16 16 VAL HA H 1 4.1360 0.02 . 1 . . . A 16 VAL HA . 19275 1
155 . 1 1 16 16 VAL HB H 1 2.1570 0.02 . 1 . . . A 16 VAL HB . 19275 1
156 . 1 1 16 16 VAL HG11 H 1 0.9510 0.02 . 2 . . . A 16 VAL HG11 . 19275 1
157 . 1 1 16 16 VAL HG12 H 1 0.9510 0.02 . 2 . . . A 16 VAL HG12 . 19275 1
158 . 1 1 16 16 VAL HG13 H 1 0.9510 0.02 . 2 . . . A 16 VAL HG13 . 19275 1
159 . 1 1 16 16 VAL HG21 H 1 0.9510 0.02 . 2 . . . A 16 VAL HG21 . 19275 1
160 . 1 1 16 16 VAL HG22 H 1 0.9510 0.02 . 2 . . . A 16 VAL HG22 . 19275 1
161 . 1 1 16 16 VAL HG23 H 1 0.9510 0.02 . 2 . . . A 16 VAL HG23 . 19275 1
162 . 1 1 16 16 VAL CA C 13 62.6690 0.3 . 1 . . . A 16 VAL CA . 19275 1
163 . 1 1 16 16 VAL CB C 13 32.5550 0.3 . 1 . . . A 16 VAL CB . 19275 1
164 . 1 1 16 16 VAL CG1 C 13 21.1150 0.3 . 2 . . . A 16 VAL CG1 . 19275 1
165 . 1 1 16 16 VAL CG2 C 13 21.1150 0.3 . 2 . . . A 16 VAL CG2 . 19275 1
166 . 1 1 17 17 ILE H H 1 8.2100 0.02 . 1 . . . A 17 ILE H . 19275 1
167 . 1 1 17 17 ILE HA H 1 4.1860 0.02 . 1 . . . A 17 ILE HA . 19275 1
168 . 1 1 17 17 ILE HB H 1 1.9060 0.02 . 1 . . . A 17 ILE HB . 19275 1
169 . 1 1 17 17 ILE HG12 H 1 1.4930 0.02 . 2 . . . A 17 ILE HG12 . 19275 1
170 . 1 1 17 17 ILE HG13 H 1 1.2150 0.02 . 2 . . . A 17 ILE HG13 . 19275 1
171 . 1 1 17 17 ILE HG21 H 1 0.9240 0.02 . 1 . . . A 17 ILE HG21 . 19275 1
172 . 1 1 17 17 ILE HG22 H 1 0.9240 0.02 . 1 . . . A 17 ILE HG22 . 19275 1
173 . 1 1 17 17 ILE HG23 H 1 0.9240 0.02 . 1 . . . A 17 ILE HG23 . 19275 1
174 . 1 1 17 17 ILE HD11 H 1 0.8670 0.02 . 1 . . . A 17 ILE HD11 . 19275 1
175 . 1 1 17 17 ILE HD12 H 1 0.8670 0.02 . 1 . . . A 17 ILE HD12 . 19275 1
176 . 1 1 17 17 ILE HD13 H 1 0.8670 0.02 . 1 . . . A 17 ILE HD13 . 19275 1
177 . 1 1 17 17 ILE CA C 13 61.5800 0.3 . 1 . . . A 17 ILE CA . 19275 1
178 . 1 1 17 17 ILE CB C 13 38.4800 0.3 . 1 . . . A 17 ILE CB . 19275 1
179 . 1 1 17 17 ILE CG1 C 13 27.3400 0.3 . 1 . . . A 17 ILE CG1 . 19275 1
180 . 1 1 17 17 ILE CG2 C 13 17.6400 0.3 . 1 . . . A 17 ILE CG2 . 19275 1
181 . 1 1 17 17 ILE CD1 C 13 12.9400 0.3 . 1 . . . A 17 ILE CD1 . 19275 1
182 . 1 1 18 18 SER H H 1 8.3180 0.02 . 1 . . . A 18 SER H . 19275 1
183 . 1 1 18 18 SER HA H 1 4.4860 0.02 . 1 . . . A 18 SER HA . 19275 1
184 . 1 1 18 18 SER HB2 H 1 3.8600 0.02 . 2 . . . A 18 SER HB2 . 19275 1
185 . 1 1 18 18 SER HB3 H 1 3.9400 0.02 . 2 . . . A 18 SER HB3 . 19275 1
186 . 1 1 18 18 SER CA C 13 58.5200 0.3 . 1 . . . A 18 SER CA . 19275 1
187 . 1 1 18 18 SER CB C 13 63.8800 0.3 . 1 . . . A 18 SER CB . 19275 1
188 . 1 1 19 19 SER H H 1 8.3350 0.02 . 1 . . . A 19 SER H . 19275 1
189 . 1 1 19 19 SER HA H 1 4.4830 0.02 . 1 . . . A 19 SER HA . 19275 1
190 . 1 1 19 19 SER HB2 H 1 3.9200 0.02 . 2 . . . A 19 SER HB2 . 19275 1
191 . 1 1 19 19 SER HB3 H 1 3.8870 0.02 . 2 . . . A 19 SER HB3 . 19275 1
192 . 1 1 19 19 SER CA C 13 59.0800 0.3 . 1 . . . A 19 SER CA . 19275 1
193 . 1 1 19 19 SER CB C 13 63.7100 0.3 . 1 . . . A 19 SER CB . 19275 1
194 . 1 1 20 20 ILE H H 1 8.0020 0.02 . 1 . . . A 20 ILE H . 19275 1
195 . 1 1 20 20 ILE HA H 1 4.2330 0.02 . 1 . . . A 20 ILE HA . 19275 1
196 . 1 1 20 20 ILE HB H 1 1.8960 0.02 . 1 . . . A 20 ILE HB . 19275 1
197 . 1 1 20 20 ILE HG12 H 1 1.2100 0.02 . 2 . . . A 20 ILE HG12 . 19275 1
198 . 1 1 20 20 ILE HG13 H 1 1.4930 0.02 . 2 . . . A 20 ILE HG13 . 19275 1
199 . 1 1 20 20 ILE HG21 H 1 0.9230 0.02 . 1 . . . A 20 ILE HG21 . 19275 1
200 . 1 1 20 20 ILE HG22 H 1 0.9230 0.02 . 1 . . . A 20 ILE HG22 . 19275 1
201 . 1 1 20 20 ILE HG23 H 1 0.9230 0.02 . 1 . . . A 20 ILE HG23 . 19275 1
202 . 1 1 20 20 ILE HD11 H 1 0.8620 0.02 . 1 . . . A 20 ILE HD11 . 19275 1
203 . 1 1 20 20 ILE HD12 H 1 0.8620 0.02 . 1 . . . A 20 ILE HD12 . 19275 1
204 . 1 1 20 20 ILE HD13 H 1 0.8620 0.02 . 1 . . . A 20 ILE HD13 . 19275 1
205 . 1 1 20 20 ILE CA C 13 61.8900 0.3 . 1 . . . A 20 ILE CA . 19275 1
206 . 1 1 20 20 ILE CB C 13 38.5000 0.3 . 1 . . . A 20 ILE CB . 19275 1
207 . 1 1 20 20 ILE CG1 C 13 27.3200 0.3 . 1 . . . A 20 ILE CG1 . 19275 1
208 . 1 1 20 20 ILE CG2 C 13 17.6800 0.3 . 1 . . . A 20 ILE CG2 . 19275 1
209 . 1 1 20 20 ILE CD1 C 13 12.9600 0.3 . 1 . . . A 20 ILE CD1 . 19275 1
210 . 1 1 21 21 CYS H H 1 8.2820 0.02 . 1 . . . A 21 CYS H . 19275 1
211 . 1 1 21 21 CYS HA H 1 4.7340 0.02 . 1 . . . A 21 CYS HA . 19275 1
212 . 1 1 21 21 CYS HB2 H 1 3.2570 0.02 . 2 . . . A 21 CYS HB2 . 19275 1
213 . 1 1 21 21 CYS HB3 H 1 2.9960 0.02 . 2 . . . A 21 CYS HB3 . 19275 1
214 . 1 1 21 21 CYS CA C 13 55.2300 0.3 . 1 . . . A 21 CYS CA . 19275 1
215 . 1 1 21 21 CYS CB C 13 40.9450 0.3 . 1 . . . A 21 CYS CB . 19275 1
216 . 1 1 22 22 ALA H H 1 8.1190 0.02 . 1 . . . A 22 ALA H . 19275 1
217 . 1 1 22 22 ALA HA H 1 4.3910 0.02 . 1 . . . A 22 ALA HA . 19275 1
218 . 1 1 22 22 ALA HB1 H 1 1.4120 0.02 . 1 . . . A 22 ALA HB1 . 19275 1
219 . 1 1 22 22 ALA HB2 H 1 1.4120 0.02 . 1 . . . A 22 ALA HB2 . 19275 1
220 . 1 1 22 22 ALA HB3 H 1 1.4120 0.02 . 1 . . . A 22 ALA HB3 . 19275 1
221 . 1 1 22 22 ALA CA C 13 52.8990 0.3 . 1 . . . A 22 ALA CA . 19275 1
222 . 1 1 22 22 ALA CB C 13 19.3460 0.3 . 1 . . . A 22 ALA CB . 19275 1
223 . 1 1 23 23 GLY H H 1 8.4170 0.02 . 1 . . . A 23 GLY H . 19275 1
224 . 1 1 23 23 GLY HA2 H 1 4.0840 0.02 . 2 . . . A 23 GLY HA2 . 19275 1
225 . 1 1 23 23 GLY HA3 H 1 3.9690 0.02 . 2 . . . A 23 GLY HA3 . 19275 1
226 . 1 1 23 23 GLY CA C 13 45.5400 0.3 . 1 . . . A 23 GLY CA . 19275 1
227 . 1 1 24 24 THR H H 1 8.0810 0.02 . 1 . . . A 24 THR H . 19275 1
228 . 1 1 24 24 THR HA H 1 4.3980 0.02 . 1 . . . A 24 THR HA . 19275 1
229 . 1 1 24 24 THR HB H 1 4.2790 0.02 . 1 . . . A 24 THR HB . 19275 1
230 . 1 1 24 24 THR HG21 H 1 1.2070 0.02 . 1 . . . A 24 THR HG21 . 19275 1
231 . 1 1 24 24 THR HG22 H 1 1.2070 0.02 . 1 . . . A 24 THR HG22 . 19275 1
232 . 1 1 24 24 THR HG23 H 1 1.2070 0.02 . 1 . . . A 24 THR HG23 . 19275 1
233 . 1 1 24 24 THR CA C 13 61.7400 0.3 . 1 . . . A 24 THR CA . 19275 1
234 . 1 1 24 24 THR CB C 13 69.9000 0.3 . 1 . . . A 24 THR CB . 19275 1
235 . 1 1 24 24 THR CG2 C 13 21.4400 0.3 . 1 . . . A 24 THR CG2 . 19275 1
236 . 1 1 25 25 ILE H H 1 8.0730 0.02 . 1 . . . A 25 ILE H . 19275 1
237 . 1 1 25 25 ILE HA H 1 4.2780 0.02 . 1 . . . A 25 ILE HA . 19275 1
238 . 1 1 25 25 ILE HB H 1 1.9890 0.02 . 1 . . . A 25 ILE HB . 19275 1
239 . 1 1 25 25 ILE HG12 H 1 1.2110 0.02 . 2 . . . A 25 ILE HG12 . 19275 1
240 . 1 1 25 25 ILE HG13 H 1 1.4640 0.02 . 2 . . . A 25 ILE HG13 . 19275 1
241 . 1 1 25 25 ILE HG21 H 1 0.9410 0.02 . 1 . . . A 25 ILE HG21 . 19275 1
242 . 1 1 25 25 ILE HG22 H 1 0.9410 0.02 . 1 . . . A 25 ILE HG22 . 19275 1
243 . 1 1 25 25 ILE HG23 H 1 0.9410 0.02 . 1 . . . A 25 ILE HG23 . 19275 1
244 . 1 1 25 25 ILE HD11 H 1 0.8840 0.02 . 1 . . . A 25 ILE HD11 . 19275 1
245 . 1 1 25 25 ILE HD12 H 1 0.8840 0.02 . 1 . . . A 25 ILE HD12 . 19275 1
246 . 1 1 25 25 ILE HD13 H 1 0.8840 0.02 . 1 . . . A 25 ILE HD13 . 19275 1
247 . 1 1 25 25 ILE CA C 13 61.3860 0.3 . 1 . . . A 25 ILE CA . 19275 1
248 . 1 1 25 25 ILE CB C 13 38.4890 0.3 . 1 . . . A 25 ILE CB . 19275 1
249 . 1 1 25 25 ILE CG1 C 13 27.4300 0.3 . 1 . . . A 25 ILE CG1 . 19275 1
250 . 1 1 25 25 ILE CG2 C 13 17.8300 0.3 . 1 . . . A 25 ILE CG2 . 19275 1
251 . 1 1 25 25 ILE CD1 C 13 13.1300 0.3 . 1 . . . A 25 ILE CD1 . 19275 1
252 . 1 1 26 26 ILE H H 1 8.1140 0.02 . 1 . . . A 26 ILE H . 19275 1
253 . 1 1 26 26 ILE HA H 1 4.2400 0.02 . 1 . . . A 26 ILE HA . 19275 1
254 . 1 1 26 26 ILE HB H 1 1.9930 0.02 . 1 . . . A 26 ILE HB . 19275 1
255 . 1 1 26 26 ILE HG12 H 1 1.2280 0.02 . 2 . . . A 26 ILE HG12 . 19275 1
256 . 1 1 26 26 ILE HG13 H 1 1.4510 0.02 . 2 . . . A 26 ILE HG13 . 19275 1
257 . 1 1 26 26 ILE HG21 H 1 0.9390 0.02 . 1 . . . A 26 ILE HG21 . 19275 1
258 . 1 1 26 26 ILE HG22 H 1 0.9390 0.02 . 1 . . . A 26 ILE HG22 . 19275 1
259 . 1 1 26 26 ILE HG23 H 1 0.9390 0.02 . 1 . . . A 26 ILE HG23 . 19275 1
260 . 1 1 26 26 ILE HD11 H 1 0.8800 0.02 . 1 . . . A 26 ILE HD11 . 19275 1
261 . 1 1 26 26 ILE HD12 H 1 0.8800 0.02 . 1 . . . A 26 ILE HD12 . 19275 1
262 . 1 1 26 26 ILE HD13 H 1 0.8800 0.02 . 1 . . . A 26 ILE HD13 . 19275 1
263 . 1 1 26 26 ILE CA C 13 61.5500 0.3 . 1 . . . A 26 ILE CA . 19275 1
264 . 1 1 26 26 ILE CB C 13 38.3790 0.3 . 1 . . . A 26 ILE CB . 19275 1
265 . 1 1 26 26 ILE CG1 C 13 27.2830 0.3 . 1 . . . A 26 ILE CG1 . 19275 1
266 . 1 1 26 26 ILE CG2 C 13 17.7630 0.3 . 1 . . . A 26 ILE CG2 . 19275 1
267 . 1 1 26 26 ILE CD1 C 13 12.8160 0.3 . 1 . . . A 26 ILE CD1 . 19275 1
268 . 1 1 27 27 THR H H 1 7.8730 0.02 . 1 . . . A 27 THR H . 19275 1
269 . 1 1 27 27 THR HA H 1 4.1860 0.02 . 1 . . . A 27 THR HA . 19275 1
270 . 1 1 27 27 THR HB H 1 4.2500 0.02 . 1 . . . A 27 THR HB . 19275 1
271 . 1 1 27 27 THR HG21 H 1 1.2350 0.02 . 1 . . . A 27 THR HG21 . 19275 1
272 . 1 1 27 27 THR HG22 H 1 1.2350 0.02 . 1 . . . A 27 THR HG22 . 19275 1
273 . 1 1 27 27 THR HG23 H 1 1.2350 0.02 . 1 . . . A 27 THR HG23 . 19275 1
274 . 1 1 27 27 THR CA C 13 62.8500 0.3 . 1 . . . A 27 THR CA . 19275 1
275 . 1 1 27 27 THR CB C 13 69.1600 0.3 . 1 . . . A 27 THR CB . 19275 1
276 . 1 1 27 27 THR CG2 C 13 22.0900 0.3 . 1 . . . A 27 THR CG2 . 19275 1
277 . 1 1 28 28 ALA H H 1 8.1140 0.02 . 1 . . . A 28 ALA H . 19275 1
278 . 1 1 28 28 ALA HA H 1 4.3640 0.02 . 1 . . . A 28 ALA HA . 19275 1
279 . 1 1 28 28 ALA HB1 H 1 1.3940 0.02 . 1 . . . A 28 ALA HB1 . 19275 1
280 . 1 1 28 28 ALA HB2 H 1 1.3940 0.02 . 1 . . . A 28 ALA HB2 . 19275 1
281 . 1 1 28 28 ALA HB3 H 1 1.3940 0.02 . 1 . . . A 28 ALA HB3 . 19275 1
282 . 1 1 28 28 ALA CA C 13 52.8280 0.3 . 1 . . . A 28 ALA CA . 19275 1
283 . 1 1 28 28 ALA CB C 13 18.9560 0.3 . 1 . . . A 28 ALA CB . 19275 1
284 . 1 1 29 29 CYS H H 1 8.0080 0.02 . 1 . . . A 29 CYS H . 19275 1
285 . 1 1 29 29 CYS HA H 1 4.6350 0.02 . 1 . . . A 29 CYS HA . 19275 1
286 . 1 1 29 29 CYS HB2 H 1 3.1290 0.02 . 2 . . . A 29 CYS HB2 . 19275 1
287 . 1 1 29 29 CYS HB3 H 1 3.2010 0.02 . 2 . . . A 29 CYS HB3 . 19275 1
288 . 1 1 29 29 CYS CA C 13 56.2300 0.3 . 1 . . . A 29 CYS CA . 19275 1
289 . 1 1 29 29 CYS CB C 13 41.9760 0.3 . 1 . . . A 29 CYS CB . 19275 1
290 . 1 1 30 30 LYS H H 1 8.3110 0.02 . 1 . . . A 30 LYS H . 19275 1
291 . 1 1 30 30 LYS HA H 1 4.3710 0.02 . 1 . . . A 30 LYS HA . 19275 1
292 . 1 1 30 30 LYS HB2 H 1 1.7770 0.02 . 2 . . . A 30 LYS HB2 . 19275 1
293 . 1 1 30 30 LYS HB3 H 1 1.8630 0.02 . 2 . . . A 30 LYS HB3 . 19275 1
294 . 1 1 30 30 LYS HG2 H 1 1.4360 0.02 . 2 . . . A 30 LYS HG2 . 19275 1
295 . 1 1 30 30 LYS HG3 H 1 1.4360 0.02 . 2 . . . A 30 LYS HG3 . 19275 1
296 . 1 1 30 30 LYS HD2 H 1 1.6700 0.02 . 2 . . . A 30 LYS HD2 . 19275 1
297 . 1 1 30 30 LYS HD3 H 1 1.6700 0.02 . 2 . . . A 30 LYS HD3 . 19275 1
298 . 1 1 30 30 LYS HE2 H 1 2.9800 0.02 . 2 . . . A 30 LYS HE2 . 19275 1
299 . 1 1 30 30 LYS HE3 H 1 2.9800 0.02 . 2 . . . A 30 LYS HE3 . 19275 1
300 . 1 1 30 30 LYS CA C 13 56.5000 0.3 . 1 . . . A 30 LYS CA . 19275 1
301 . 1 1 30 30 LYS CB C 13 32.9700 0.3 . 1 . . . A 30 LYS CB . 19275 1
302 . 1 1 30 30 LYS CG C 13 24.7790 0.3 . 1 . . . A 30 LYS CG . 19275 1
303 . 1 1 30 30 LYS CD C 13 28.9900 0.3 . 1 . . . A 30 LYS CD . 19275 1
304 . 1 1 30 30 LYS CE C 13 41.8400 0.3 . 1 . . . A 30 LYS CE . 19275 1
305 . 1 1 31 31 ASN H H 1 8.3510 0.02 . 1 . . . A 31 ASN H . 19275 1
306 . 1 1 31 31 ASN HA H 1 4.7610 0.02 . 1 . . . A 31 ASN HA . 19275 1
307 . 1 1 31 31 ASN HB2 H 1 2.7460 0.02 . 2 . . . A 31 ASN HB2 . 19275 1
308 . 1 1 31 31 ASN HB3 H 1 2.8740 0.02 . 2 . . . A 31 ASN HB3 . 19275 1
309 . 1 1 31 31 ASN HD21 H 1 6.9630 0.02 . 2 . . . A 31 ASN HD21 . 19275 1
310 . 1 1 31 31 ASN HD22 H 1 7.5950 0.02 . 2 . . . A 31 ASN HD22 . 19275 1
311 . 1 1 31 31 ASN CA C 13 53.5830 0.3 . 1 . . . A 31 ASN CA . 19275 1
312 . 1 1 31 31 ASN CB C 13 39.1780 0.3 . 1 . . . A 31 ASN CB . 19275 1
313 . 1 1 32 32 CYS H H 1 8.2850 0.02 . 1 . . . A 32 CYS H . 19275 1
314 . 1 1 32 32 CYS HA H 1 4.5150 0.02 . 1 . . . A 32 CYS HA . 19275 1
315 . 1 1 32 32 CYS HB2 H 1 3.0900 0.02 . 2 . . . A 32 CYS HB2 . 19275 1
316 . 1 1 32 32 CYS HB3 H 1 2.8940 0.02 . 2 . . . A 32 CYS HB3 . 19275 1
317 . 1 1 32 32 CYS CA C 13 55.6900 0.3 . 1 . . . A 32 CYS CA . 19275 1
318 . 1 1 32 32 CYS CB C 13 34.1900 0.3 . 1 . . . A 32 CYS CB . 19275 1
319 . 1 1 33 33 ALA H H 1 7.8710 0.02 . 1 . . . A 33 ALA H . 19275 1
320 . 1 1 33 33 ALA HA H 1 4.1300 0.02 . 1 . . . A 33 ALA HA . 19275 1
321 . 1 1 33 33 ALA HB1 H 1 1.3410 0.02 . 1 . . . A 33 ALA HB1 . 19275 1
322 . 1 1 33 33 ALA HB2 H 1 1.3410 0.02 . 1 . . . A 33 ALA HB2 . 19275 1
323 . 1 1 33 33 ALA HB3 H 1 1.3410 0.02 . 1 . . . A 33 ALA HB3 . 19275 1
324 . 1 1 33 33 ALA CA C 13 53.9000 0.3 . 1 . . . A 33 ALA CA . 19275 1
325 . 1 1 33 33 ALA CB C 13 20.3700 0.3 . 1 . . . A 33 ALA CB . 19275 1
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