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 53325
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Erythropoietin-derived peptide ML1-C2'
_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-1H TOCSY' . . . 53325 1
2 '2D 1H-1H ROESY' . . . 53325 1
3 '2D 1H-1H NOESY' . . . 53325 1
4 '2D 1H-13C HSQC' . . . 53325 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 53325 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 LEU HA H 1 3.876 0.005 . . . 6 . . . 1 LEU HA . 53325 1
2 . 1 . 1 1 1 LEU HB2 H 1 1.661 0 . . . 1 . . . 1 LEU HB2 . 53325 1
3 . 1 . 1 1 1 LEU HB3 H 1 1.611 0 . . . 1 . . . 1 LEU HB3 . 53325 1
4 . 1 . 1 1 1 LEU HG H 1 1.613 0 . . . 1 . . . 1 LEU HG . 53325 1
5 . 1 . 1 1 1 LEU HD11 H 1 0.915 0.003 . . . 3 . . . 1 LEU HD . 53325 1
6 . 1 . 1 1 1 LEU HD12 H 1 0.915 0.003 . . . 3 . . . 1 LEU HD . 53325 1
7 . 1 . 1 1 1 LEU HD13 H 1 0.915 0.003 . . . 3 . . . 1 LEU HD . 53325 1
8 . 1 . 1 1 1 LEU HD21 H 1 0.915 0.003 . . . 3 . . . 1 LEU HD . 53325 1
9 . 1 . 1 1 1 LEU HD22 H 1 0.915 0.003 . . . 3 . . . 1 LEU HD . 53325 1
10 . 1 . 1 1 1 LEU HD23 H 1 0.915 0.003 . . . 3 . . . 1 LEU HD . 53325 1
11 . 1 . 1 1 1 LEU CA C 13 54.837 0 . . . 1 . . . 1 LEU CA . 53325 1
12 . 1 . 1 1 1 LEU CB C 13 43.58 0.009 . . . 2 . . . 1 LEU CB . 53325 1
13 . 1 . 1 1 1 LEU CG C 13 26.806 0 . . . 1 . . . 1 LEU CG . 53325 1
14 . 1 . 1 1 1 LEU CD1 C 13 24.027 0 . . . 1 . . . 1 LEU CD . 53325 1
15 . 1 . 1 1 1 LEU CD2 C 13 24.027 0 . . . 1 . . . 1 LEU CD . 53325 1
16 . 1 . 1 2 2 GLN HA H 1 4.38 0.001 . . . 7 . . . 2 GLN HA . 53325 1
17 . 1 . 1 2 2 GLN HB2 H 1 2.022 0.004 . . . 7 . . . 2 GLN HB2 . 53325 1
18 . 1 . 1 2 2 GLN HB3 H 1 1.968 0.003 . . . 7 . . . 2 GLN HB3 . 53325 1
19 . 1 . 1 2 2 GLN HG2 H 1 2.338 0.002 . . . 10 . . . 2 GLN HG . 53325 1
20 . 1 . 1 2 2 GLN HG3 H 1 2.338 0.002 . . . 10 . . . 2 GLN HG . 53325 1
21 . 1 . 1 2 2 GLN HE21 H 1 7.562 0 . . . 4 . . . 2 GLN HE21 . 53325 1
22 . 1 . 1 2 2 GLN HE22 H 1 6.881 0.001 . . . 5 . . . 2 GLN HE22 . 53325 1
23 . 1 . 1 2 2 GLN CA C 13 55.714 0 . . . 1 . . . 2 GLN CA . 53325 1
24 . 1 . 1 2 2 GLN CB C 13 29.599 0.002 . . . 2 . . . 2 GLN CB . 53325 1
25 . 1 . 1 2 2 GLN CG C 13 33.738 0 . . . 1 . . . 2 GLN CG . 53325 1
26 . 1 . 1 3 3 ARG HA H 1 4.297 0 . . . 1 . . . 3 ARG HA . 53325 1
27 . 1 . 1 3 3 ARG HB2 H 1 1.716 0.002 . . . 2 . . . 3 ARG HB . 53325 1
28 . 1 . 1 3 3 ARG HB3 H 1 1.716 0.002 . . . 2 . . . 3 ARG HB . 53325 1
29 . 1 . 1 3 3 ARG HG2 H 1 1.543 0.008 . . . 2 . . . 3 ARG HG . 53325 1
30 . 1 . 1 3 3 ARG HG3 H 1 1.543 0.008 . . . 2 . . . 3 ARG HG . 53325 1
31 . 1 . 1 3 3 ARG HD2 H 1 3.174 0.001 . . . 3 . . . 3 ARG HD . 53325 1
32 . 1 . 1 3 3 ARG HD3 H 1 3.174 0.001 . . . 3 . . . 3 ARG HD . 53325 1
33 . 1 . 1 3 3 ARG CA C 13 56.034 0 . . . 1 . . . 3 ARG CA . 53325 1
34 . 1 . 1 3 3 ARG CB C 13 30.92 0 . . . 1 . . . 3 ARG CB . 53325 1
35 . 1 . 1 3 3 ARG CG C 13 27.122 0 . . . 1 . . . 3 ARG CG . 53325 1
36 . 1 . 1 3 3 ARG CD C 13 43.341 0 . . . 1 . . . 3 ARG CD . 53325 1
37 . 1 . 1 4 4 HIS HA H 1 4.615 0.002 . . . 4 . . . 4 HIS HA . 53325 1
38 . 1 . 1 4 4 HIS HB2 H 1 3.062 0.005 . . . 9 . . . 4 HIS HB . 53325 1
39 . 1 . 1 4 4 HIS HB3 H 1 3.062 0.005 . . . 9 . . . 4 HIS HB . 53325 1
40 . 1 . 1 4 4 HIS HD2 H 1 6.976 0.001 . . . 6 . . . 4 HIS HD2 . 53325 1
41 . 1 . 1 4 4 HIS HE1 H 1 7.799 0.002 . . . 6 . . . 4 HIS HE1 . 53325 1
42 . 1 . 1 4 4 HIS CA C 13 56.535 0 . . . 1 . . . 4 HIS CA . 53325 1
43 . 1 . 1 4 4 HIS CB C 13 31.041 0 . . . 1 . . . 4 HIS CB . 53325 1
44 . 1 . 1 5 5 VAL H H 1 8.025 0.001 . . . 5 . . . 5 VAL H . 53325 1
45 . 1 . 1 5 5 VAL HA H 1 4.048 0.001 . . . 9 . . . 5 VAL HA . 53325 1
46 . 1 . 1 5 5 VAL HB H 1 2.003 0.002 . . . 7 . . . 5 VAL HB . 53325 1
47 . 1 . 1 5 5 VAL HG11 H 1 0.874 0 . . . 1 . . . 5 VAL HG1 . 53325 1
48 . 1 . 1 5 5 VAL HG12 H 1 0.874 0 . . . 1 . . . 5 VAL HG1 . 53325 1
49 . 1 . 1 5 5 VAL HG13 H 1 0.874 0 . . . 1 . . . 5 VAL HG1 . 53325 1
50 . 1 . 1 5 5 VAL HG21 H 1 0.874 0 . . . 1 . . . 5 VAL HG2 . 53325 1
51 . 1 . 1 5 5 VAL HG22 H 1 0.874 0 . . . 1 . . . 5 VAL HG2 . 53325 1
52 . 1 . 1 5 5 VAL HG23 H 1 0.874 0 . . . 1 . . . 5 VAL HG2 . 53325 1
53 . 1 . 1 5 5 VAL CA C 13 62.146 0 . . . 1 . . . 5 VAL CA . 53325 1
54 . 1 . 1 5 5 VAL CB C 13 32.959 0 . . . 1 . . . 5 VAL CB . 53325 1
55 . 1 . 1 5 5 VAL CG1 C 13 21.027 0 . . . 1 . . . 5 VAL CG1 . 53325 1
56 . 1 . 1 5 5 VAL CG2 C 13 20.401 0 . . . 1 . . . 5 VAL CG2 . 53325 1
57 . 1 . 1 6 6 ASP H H 1 8.41 0.001 . . . 5 . . . 6 ASP H . 53325 1
58 . 1 . 1 6 6 ASP HA H 1 4.585 0.001 . . . 4 . . . 6 ASP HA . 53325 1
59 . 1 . 1 6 6 ASP HB2 H 1 2.741 0.003 . . . 6 . . . 6 ASP HB2 . 53325 1
60 . 1 . 1 6 6 ASP HB3 H 1 2.596 0.006 . . . 6 . . . 6 ASP HB3 . 53325 1
61 . 1 . 1 6 6 ASP CA C 13 54.213 0 . . . 1 . . . 6 ASP CA . 53325 1
62 . 1 . 1 6 6 ASP CB C 13 41.441 0.002 . . . 2 . . . 6 ASP CB . 53325 1
63 . 1 . 1 7 7 LYS H H 1 8.342 0.001 . . . 8 . . . 7 LYS H . 53325 1
64 . 1 . 1 7 7 LYS HA H 1 4.271 0.001 . . . 8 . . . 7 LYS HA . 53325 1
65 . 1 . 1 7 7 LYS HB2 H 1 1.862 0.002 . . . 6 . . . 7 LYS HB2 . 53325 1
66 . 1 . 1 7 7 LYS HB3 H 1 1.753 0.001 . . . 5 . . . 7 LYS HB3 . 53325 1
67 . 1 . 1 7 7 LYS HG2 H 1 1.448 0.002 . . . 10 . . . 7 LYS HG2 . 53325 1
68 . 1 . 1 7 7 LYS HG3 H 1 1.4 0.003 . . . 7 . . . 7 LYS HG3 . 53325 1
69 . 1 . 1 7 7 LYS HD2 H 1 1.669 0.001 . . . 7 . . . 7 LYS HD . 53325 1
70 . 1 . 1 7 7 LYS HD3 H 1 1.669 0.001 . . . 7 . . . 7 LYS HD . 53325 1
71 . 1 . 1 7 7 LYS HE2 H 1 2.98 0.001 . . . 14 . . . 7 LYS HE . 53325 1
72 . 1 . 1 7 7 LYS HE3 H 1 2.98 0.001 . . . 14 . . . 7 LYS HE . 53325 1
73 . 1 . 1 7 7 LYS CA C 13 56.566 0 . . . 1 . . . 7 LYS CA . 53325 1
74 . 1 . 1 7 7 LYS CB C 13 32.724 0.011 . . . 2 . . . 7 LYS CB . 53325 1
75 . 1 . 1 7 7 LYS CG C 13 24.802 0.018 . . . 2 . . . 7 LYS CG . 53325 1
76 . 1 . 1 7 7 LYS CD C 13 29.056 0 . . . 1 . . . 7 LYS CD . 53325 1
77 . 1 . 1 7 7 LYS CE C 13 42.074 0 . . . 1 . . . 7 LYS CE . 53325 1
78 . 1 . 1 8 8 ARG H H 1 8.138 0.002 . . . 6 . . . 8 ARG H . 53325 1
79 . 1 . 1 8 8 ARG HA H 1 4.297 0 . . . 4 . . . 8 ARG HA . 53325 1
80 . 1 . 1 8 8 ARG HB2 H 1 1.839 0.003 . . . 5 . . . 8 ARG HB2 . 53325 1
81 . 1 . 1 8 8 ARG HB3 H 1 1.752 0 . . . 1 . . . 8 ARG HB3 . 53325 1
82 . 1 . 1 8 8 ARG HG2 H 1 1.627 0.001 . . . 2 . . . 8 ARG HG . 53325 1
83 . 1 . 1 8 8 ARG HG3 H 1 1.627 0.001 . . . 2 . . . 8 ARG HG . 53325 1
84 . 1 . 1 8 8 ARG HD2 H 1 3.197 0.001 . . . 4 . . . 8 ARG HD . 53325 1
85 . 1 . 1 8 8 ARG HD3 H 1 3.197 0.001 . . . 4 . . . 8 ARG HD . 53325 1
86 . 1 . 1 8 8 ARG CA C 13 56.034 0 . . . 1 . . . 8 ARG CA . 53325 1
87 . 1 . 1 8 8 ARG CB C 13 30.698 0 . . . 1 . . . 8 ARG CB . 53325 1
88 . 1 . 1 8 8 ARG CG C 13 27.191 0 . . . 1 . . . 8 ARG CG . 53325 1
89 . 1 . 1 8 8 ARG CD C 13 43.344 0 . . . 1 . . . 8 ARG CD . 53325 1
90 . 1 . 1 9 9 VAL H H 1 8.082 0.002 . . . 5 . . . 9 VAL H . 53325 1
91 . 1 . 1 9 9 VAL HA H 1 4.148 0.001 . . . 9 . . . 9 VAL HA . 53325 1
92 . 1 . 1 9 9 VAL HB H 1 2.12 0.002 . . . 7 . . . 9 VAL HB . 53325 1
93 . 1 . 1 9 9 VAL HG11 H 1 0.939 0 . . . 1 . . . 9 VAL HG1 . 53325 1
94 . 1 . 1 9 9 VAL HG12 H 1 0.939 0 . . . 1 . . . 9 VAL HG1 . 53325 1
95 . 1 . 1 9 9 VAL HG13 H 1 0.939 0 . . . 1 . . . 9 VAL HG1 . 53325 1
96 . 1 . 1 9 9 VAL HG21 H 1 0.931 0 . . . 1 . . . 9 VAL HG2 . 53325 1
97 . 1 . 1 9 9 VAL HG22 H 1 0.931 0 . . . 1 . . . 9 VAL HG2 . 53325 1
98 . 1 . 1 9 9 VAL HG23 H 1 0.931 0 . . . 1 . . . 9 VAL HG2 . 53325 1
99 . 1 . 1 9 9 VAL CA C 13 62.392 0 . . . 1 . . . 9 VAL CA . 53325 1
100 . 1 . 1 9 9 VAL CB C 13 32.715 0 . . . 1 . . . 9 VAL CB . 53325 1
101 . 1 . 1 9 9 VAL CG1 C 13 20.456 0 . . . 1 . . . 9 VAL CG1 . 53325 1
102 . 1 . 1 9 9 VAL CG2 C 13 21.155 0 . . . 1 . . . 9 VAL CG2 . 53325 1
103 . 1 . 1 10 10 SER HA H 1 4.439 0 . . . 1 . . . 10 SER HA . 53325 1
104 . 1 . 1 10 10 SER HB2 H 1 3.886 0 . . . 1 . . . 10 SER HB2 . 53325 1
105 . 1 . 1 10 10 SER HB3 H 1 3.854 0 . . . 1 . . . 10 SER HB3 . 53325 1
106 . 1 . 1 10 10 SER CA C 13 58.323 0 . . . 1 . . . 10 SER CA . 53325 1
107 . 1 . 1 10 10 SER CB C 13 63.767 0.003 . . . 2 . . . 10 SER CB . 53325 1
108 . 1 . 1 11 11 GLY H H 1 7.852 0.001 . . . 5 . . . 11 GLY H . 53325 1
109 . 1 . 1 11 11 GLY HA2 H 1 3.757 0.002 . . . 4 . . . 11 GLY HA2 . 53325 1
110 . 1 . 1 11 11 GLY HA3 H 1 3.737 0.001 . . . 4 . . . 11 GLY HA3 . 53325 1
111 . 1 . 1 11 11 GLY CA C 13 46.123 0.009 . . . 2 . . . 11 GLY CA . 53325 1
112 . 1 . 1 12 12 LEU H H 1 8.125 0.003 . . . 9 . . . 12 LEU H . 53325 1
113 . 1 . 1 12 12 LEU HA H 1 4.323 0.001 . . . 7 . . . 12 LEU HA . 53325 1
114 . 1 . 1 12 12 LEU HB2 H 1 1.637 0.001 . . . 2 . . . 12 LEU HB2 . 53325 1
115 . 1 . 1 12 12 LEU HB3 H 1 1.59 0 . . . 1 . . . 12 LEU HB3 . 53325 1
116 . 1 . 1 12 12 LEU HG H 1 1.626 0 . . . 1 . . . 12 LEU HG . 53325 1
117 . 1 . 1 12 12 LEU HD11 H 1 0.921 0.001 . . . 4 . . . 12 LEU HD1 . 53325 1
118 . 1 . 1 12 12 LEU HD12 H 1 0.921 0.001 . . . 4 . . . 12 LEU HD1 . 53325 1
119 . 1 . 1 12 12 LEU HD13 H 1 0.921 0.001 . . . 4 . . . 12 LEU HD1 . 53325 1
120 . 1 . 1 12 12 LEU HD21 H 1 0.866 0.002 . . . 4 . . . 12 LEU HD2 . 53325 1
121 . 1 . 1 12 12 LEU HD22 H 1 0.866 0.002 . . . 4 . . . 12 LEU HD2 . 53325 1
122 . 1 . 1 12 12 LEU HD23 H 1 0.866 0.002 . . . 4 . . . 12 LEU HD2 . 53325 1
123 . 1 . 1 12 12 LEU CA C 13 55.442 0 . . . 1 . . . 12 LEU CA . 53325 1
124 . 1 . 1 12 12 LEU CB C 13 42.323 0.001 . . . 2 . . . 12 LEU CB . 53325 1
125 . 1 . 1 12 12 LEU CG C 13 26.807 0 . . . 1 . . . 12 LEU CG . 53325 1
126 . 1 . 1 12 12 LEU CD1 C 13 24.905 0 . . . 1 . . . 12 LEU CD1 . 53325 1
127 . 1 . 1 12 12 LEU CD2 C 13 23.488 0 . . . 1 . . . 12 LEU CD2 . 53325 1
128 . 1 . 1 13 13 ARG H H 1 8.363 0.001 . . . 3 . . . 13 ARG H . 53325 1
129 . 1 . 1 13 13 ARG HA H 1 4.294 0.004 . . . 3 . . . 13 ARG HA . 53325 1
130 . 1 . 1 13 13 ARG HB2 H 1 1.755 0 . . . 1 . . . 13 ARG HB . 53325 1
131 . 1 . 1 13 13 ARG HB3 H 1 1.755 0 . . . 1 . . . 13 ARG HB . 53325 1
132 . 1 . 1 13 13 ARG HG2 H 1 1.608 0 . . . 1 . . . 13 ARG HG . 53325 1
133 . 1 . 1 13 13 ARG HG3 H 1 1.608 0 . . . 1 . . . 13 ARG HG . 53325 1
134 . 1 . 1 13 13 ARG HD2 H 1 3.197 0.001 . . . 2 . . . 13 ARG HD . 53325 1
135 . 1 . 1 13 13 ARG HD3 H 1 3.197 0.001 . . . 2 . . . 13 ARG HD . 53325 1
136 . 1 . 1 13 13 ARG CA C 13 56.034 0 . . . 1 . . . 13 ARG CA . 53325 1
137 . 1 . 1 13 13 ARG CB C 13 30.829 0 . . . 1 . . . 13 ARG CB . 53325 1
138 . 1 . 1 13 13 ARG CG C 13 27.214 0 . . . 1 . . . 13 ARG CG . 53325 1
139 . 1 . 1 13 13 ARG CD C 13 43.344 0 . . . 1 . . . 13 ARG CD . 53325 1
140 . 1 . 1 14 14 SER H H 1 8.316 0 . . . 1 . . . 14 SER H . 53325 1
141 . 1 . 1 14 14 SER HA H 1 4.434 0 . . . 1 . . . 14 SER HA . 53325 1
142 . 1 . 1 14 14 SER HB2 H 1 3.886 0 . . . 1 . . . 14 SER HB2 . 53325 1
143 . 1 . 1 14 14 SER HB3 H 1 3.854 0 . . . 1 . . . 14 SER HB3 . 53325 1
144 . 1 . 1 14 14 SER CA C 13 58.51 0 . . . 1 . . . 14 SER CA . 53325 1
145 . 1 . 1 14 14 SER CB C 13 63.767 0.003 . . . 2 . . . 14 SER CB . 53325 1
146 . 1 . 1 15 15 LEU H H 1 8.328 0.001 . . . 3 . . . 15 LEU H . 53325 1
147 . 1 . 1 15 15 LEU HA H 1 4.408 0.002 . . . 9 . . . 15 LEU HA . 53325 1
148 . 1 . 1 15 15 LEU HB2 H 1 1.693 0.001 . . . 2 . . . 15 LEU HB2 . 53325 1
149 . 1 . 1 15 15 LEU HB3 H 1 1.644 0 . . . 1 . . . 15 LEU HB3 . 53325 1
150 . 1 . 1 15 15 LEU HG H 1 1.667 0 . . . 1 . . . 15 LEU HG . 53325 1
151 . 1 . 1 15 15 LEU HD11 H 1 0.937 0.002 . . . 4 . . . 15 LEU HD1 . 53325 1
152 . 1 . 1 15 15 LEU HD12 H 1 0.937 0.002 . . . 4 . . . 15 LEU HD1 . 53325 1
153 . 1 . 1 15 15 LEU HD13 H 1 0.937 0.002 . . . 4 . . . 15 LEU HD1 . 53325 1
154 . 1 . 1 15 15 LEU HD21 H 1 0.879 0 . . . 4 . . . 15 LEU HD2 . 53325 1
155 . 1 . 1 15 15 LEU HD22 H 1 0.879 0 . . . 4 . . . 15 LEU HD2 . 53325 1
156 . 1 . 1 15 15 LEU HD23 H 1 0.879 0 . . . 4 . . . 15 LEU HD2 . 53325 1
157 . 1 . 1 15 15 LEU CA C 13 55.649 0 . . . 1 . . . 15 LEU CA . 53325 1
158 . 1 . 1 15 15 LEU CB C 13 42.367 0 . . . 2 . . . 15 LEU CB . 53325 1
159 . 1 . 1 15 15 LEU CG C 13 26.867 0 . . . 1 . . . 15 LEU CG . 53325 1
160 . 1 . 1 15 15 LEU CD1 C 13 24.905 0 . . . 1 . . . 15 LEU CD1 . 53325 1
161 . 1 . 1 15 15 LEU CD2 C 13 23.488 0 . . . 1 . . . 15 LEU CD2 . 53325 1
162 . 1 . 1 16 16 THR H H 1 8.003 0.005 . . . 2 . . . 16 THR H . 53325 1
163 . 1 . 1 16 16 THR HA H 1 4.274 0.001 . . . 3 . . . 16 THR HA . 53325 1
164 . 1 . 1 16 16 THR HB H 1 4.21 0.001 . . . 7 . . . 16 THR HB . 53325 1
165 . 1 . 1 16 16 THR HG21 H 1 1.203 0 . . . 4 . . . 16 THR HG2 . 53325 1
166 . 1 . 1 16 16 THR HG22 H 1 1.203 0 . . . 4 . . . 16 THR HG2 . 53325 1
167 . 1 . 1 16 16 THR HG23 H 1 1.203 0 . . . 4 . . . 16 THR HG2 . 53325 1
168 . 1 . 1 16 16 THR CA C 13 62.431 0 . . . 1 . . . 16 THR CA . 53325 1
169 . 1 . 1 16 16 THR CB C 13 69.534 0 . . . 1 . . . 16 THR CB . 53325 1
170 . 1 . 1 16 16 THR CG2 C 13 21.63 0 . . . 1 . . . 16 THR CG2 . 53325 1
171 . 1 . 1 17 17 THR H H 1 8.09 0.001 . . . 2 . . . 17 THR H . 53325 1
172 . 1 . 1 17 17 THR HA H 1 4.335 0.002 . . . 5 . . . 17 THR HA . 53325 1
173 . 1 . 1 17 17 THR HB H 1 4.25 0.003 . . . 4 . . . 17 THR HB . 53325 1
174 . 1 . 1 17 17 THR HG21 H 1 1.209 0.001 . . . 4 . . . 17 THR HG2 . 53325 1
175 . 1 . 1 17 17 THR HG22 H 1 1.209 0.001 . . . 4 . . . 17 THR HG2 . 53325 1
176 . 1 . 1 17 17 THR HG23 H 1 1.209 0.001 . . . 4 . . . 17 THR HG2 . 53325 1
177 . 1 . 1 17 17 THR CA C 13 62.369 0 . . . 1 . . . 17 THR CA . 53325 1
178 . 1 . 1 17 17 THR CB C 13 69.587 0 . . . 1 . . . 17 THR CB . 53325 1
179 . 1 . 1 17 17 THR CG2 C 13 21.589 0 . . . 1 . . . 17 THR CG2 . 53325 1
180 . 1 . 1 20 20 ARG H H 1 8.325 0 . . . 2 . . . 20 ARG H . 53325 1
181 . 1 . 1 20 20 ARG HA H 1 4.341 0.003 . . . 7 . . . 20 ARG HA . 53325 1
182 . 1 . 1 20 20 ARG HB2 H 1 1.872 0 . . . 2 . . . 20 ARG HB2 . 53325 1
183 . 1 . 1 20 20 ARG HB3 H 1 1.788 0 . . . 3 . . . 20 ARG HB3 . 53325 1
184 . 1 . 1 20 20 ARG HG2 H 1 1.641 0 . . . 1 . . . 20 ARG HG . 53325 1
185 . 1 . 1 20 20 ARG HG3 H 1 1.641 0 . . . 1 . . . 20 ARG HG . 53325 1
186 . 1 . 1 20 20 ARG HD2 H 1 3.196 0 . . . 3 . . . 20 ARG HD . 53325 1
187 . 1 . 1 20 20 ARG HD3 H 1 3.196 0 . . . 3 . . . 20 ARG HD . 53325 1
188 . 1 . 1 20 20 ARG CA C 13 56.234 0 . . . 1 . . . 20 ARG CA . 53325 1
189 . 1 . 1 20 20 ARG CB C 13 30.623 0 . . . 2 . . . 20 ARG CB . 53325 1
190 . 1 . 1 20 20 ARG CG C 13 27.179 0 . . . 1 . . . 20 ARG CG . 53325 1
191 . 1 . 1 20 20 ARG CD C 13 43.344 0 . . . 1 . . . 20 ARG CD . 53325 1
192 . 1 . 1 21 21 ALA H H 1 8.23 0.001 . . . 4 . . . 21 ALA H . 53325 1
193 . 1 . 1 21 21 ALA HA H 1 4.314 0.001 . . . 4 . . . 21 ALA HA . 53325 1
194 . 1 . 1 21 21 ALA HB1 H 1 1.396 0.002 . . . 5 . . . 21 ALA HB . 53325 1
195 . 1 . 1 21 21 ALA HB2 H 1 1.396 0.002 . . . 5 . . . 21 ALA HB . 53325 1
196 . 1 . 1 21 21 ALA HB3 H 1 1.396 0.002 . . . 5 . . . 21 ALA HB . 53325 1
197 . 1 . 1 21 21 ALA CA C 13 52.56 0 . . . 1 . . . 21 ALA CA . 53325 1
198 . 1 . 1 21 21 ALA CB C 13 19.143 0 . . . 1 . . . 21 ALA CB . 53325 1
199 . 1 . 1 22 22 LEU H H 1 8.189 0.001 . . . 9 . . . 22 LEU H . 53325 1
200 . 1 . 1 22 22 LEU HA H 1 4.354 0.001 . . . 5 . . . 22 LEU HA . 53325 1
201 . 1 . 1 22 22 LEU HB2 H 1 1.675 0 . . . 1 . . . 22 LEU HB2 . 53325 1
202 . 1 . 1 22 22 LEU HB3 H 1 1.622 0 . . . 1 . . . 22 LEU HB3 . 53325 1
203 . 1 . 1 22 22 LEU HG H 1 1.626 0 . . . 1 . . . 22 LEU HG . 53325 1
204 . 1 . 1 22 22 LEU HD11 H 1 0.927 0.001 . . . 3 . . . 22 LEU HD1 . 53325 1
205 . 1 . 1 22 22 LEU HD12 H 1 0.927 0.001 . . . 3 . . . 22 LEU HD1 . 53325 1
206 . 1 . 1 22 22 LEU HD13 H 1 0.927 0.001 . . . 3 . . . 22 LEU HD1 . 53325 1
207 . 1 . 1 22 22 LEU HD21 H 1 0.869 0.001 . . . 3 . . . 22 LEU HD2 . 53325 1
208 . 1 . 1 22 22 LEU HD22 H 1 0.869 0.001 . . . 3 . . . 22 LEU HD2 . 53325 1
209 . 1 . 1 22 22 LEU HD23 H 1 0.869 0.001 . . . 3 . . . 22 LEU HD2 . 53325 1
210 . 1 . 1 22 22 LEU CA C 13 55.124 0 . . . 1 . . . 22 LEU CA . 53325 1
211 . 1 . 1 22 22 LEU CB C 13 42.458 0 . . . 2 . . . 22 LEU CB . 53325 1
212 . 1 . 1 22 22 LEU CG C 13 26.807 0 . . . 1 . . . 22 LEU CG . 53325 1
213 . 1 . 1 22 22 LEU CD1 C 13 24.906 0 . . . 1 . . . 22 LEU CD1 . 53325 1
214 . 1 . 1 22 22 LEU CD2 C 13 23.488 0 . . . 1 . . . 22 LEU CD2 . 53325 1
215 . 1 . 1 23 23 GLY HA2 H 1 3.971 0 . . . 1 . . . 23 GLY HA . 53325 1
216 . 1 . 1 23 23 GLY HA3 H 1 3.971 0 . . . 1 . . . 23 GLY HA . 53325 1
217 . 1 . 1 23 23 GLY CA C 13 45.383 0 . . . 1 . . . 23 GLY CA . 53325 1
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