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 53326
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Erythropoietin-derived peptide ML1-C3'
_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' . . . 53326 1
2 '2D 1H-1H ROESY' . . . 53326 1
3 '2D 1H-1H NOESY' . . . 53326 1
4 '2D 1H-13C HSQC' . . . 53326 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 . . 53326 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 3.799 0.006 . . . 6 . . . 1 LEU HA . 53326 1
2 . 1 . 1 1 1 LEU HB2 H 1 1.616 0.007 . . . 3 . . . 1 LEU HB2 . 53326 1
3 . 1 . 1 1 1 LEU HB3 H 1 1.569 0.005 . . . 3 . . . 1 LEU HB3 . 53326 1
4 . 1 . 1 1 1 LEU HG H 1 1.609 0 . . . 1 . . . 1 LEU HG . 53326 1
5 . 1 . 1 1 1 LEU HD11 H 1 0.911 0 . . . 1 . . . 1 LEU HD . 53326 1
6 . 1 . 1 1 1 LEU HD12 H 1 0.911 0 . . . 1 . . . 1 LEU HD . 53326 1
7 . 1 . 1 1 1 LEU HD13 H 1 0.911 0 . . . 1 . . . 1 LEU HD . 53326 1
8 . 1 . 1 1 1 LEU HD21 H 1 0.911 0 . . . 1 . . . 1 LEU HD . 53326 1
9 . 1 . 1 1 1 LEU HD22 H 1 0.911 0 . . . 1 . . . 1 LEU HD . 53326 1
10 . 1 . 1 1 1 LEU HD23 H 1 0.911 0 . . . 1 . . . 1 LEU HD . 53326 1
11 . 1 . 1 1 1 LEU CA C 13 54.959 0 . . . 1 . . . 1 LEU CA . 53326 1
12 . 1 . 1 1 1 LEU CB C 13 44.025 0.034 . . . 2 . . . 1 LEU CB . 53326 1
13 . 1 . 1 1 1 LEU CG C 13 26.879 0 . . . 1 . . . 1 LEU CG . 53326 1
14 . 1 . 1 1 1 LEU CD1 C 13 24.043 0 . . . 1 . . . 1 LEU CD . 53326 1
15 . 1 . 1 1 1 LEU CD2 C 13 24.043 0 . . . 1 . . . 1 LEU CD . 53326 1
16 . 1 . 1 2 2 GLN HA H 1 4.363 0.002 . . . 7 . . . 2 GLN HA . 53326 1
17 . 1 . 1 2 2 GLN HB2 H 1 2.019 0.003 . . . 7 . . . 2 GLN HB2 . 53326 1
18 . 1 . 1 2 2 GLN HB3 H 1 1.959 0.002 . . . 5 . . . 2 GLN HB3 . 53326 1
19 . 1 . 1 2 2 GLN HG2 H 1 2.34 0.002 . . . 9 . . . 2 GLN HG . 53326 1
20 . 1 . 1 2 2 GLN HG3 H 1 2.34 0.002 . . . 9 . . . 2 GLN HG . 53326 1
21 . 1 . 1 2 2 GLN HE21 H 1 7.073 0.003 . . . 4 . . . 2 GLN HE21 . 53326 1
22 . 1 . 1 2 2 GLN HE22 H 1 6.787 0.002 . . . 4 . . . 2 GLN HE22 . 53326 1
23 . 1 . 1 2 2 GLN CA C 13 55.791 0 . . . 1 . . . 2 GLN CA . 53326 1
24 . 1 . 1 2 2 GLN CB C 13 29.566 0.024 . . . 2 . . . 2 GLN CB . 53326 1
25 . 1 . 1 2 2 GLN CG C 13 33.749 0 . . . 1 . . . 2 GLN CG . 53326 1
26 . 1 . 1 3 3 ARG HA H 1 4.269 0.001 . . . 3 . . . 3 ARG HA . 53326 1
27 . 1 . 1 3 3 ARG HB2 H 1 1.742 0 . . . 2 . . . 3 ARG HB2 . 53326 1
28 . 1 . 1 3 3 ARG HB3 H 1 1.703 0 . . . 2 . . . 3 ARG HB3 . 53326 1
29 . 1 . 1 3 3 ARG HG2 H 1 1.52 0.004 . . . 2 . . . 3 ARG HG . 53326 1
30 . 1 . 1 3 3 ARG HG3 H 1 1.52 0.004 . . . 2 . . . 3 ARG HG . 53326 1
31 . 1 . 1 3 3 ARG HD2 H 1 3.17 0.002 . . . 9 . . . 3 ARG HD . 53326 1
32 . 1 . 1 3 3 ARG HD3 H 1 3.17 0.002 . . . 9 . . . 3 ARG HD . 53326 1
33 . 1 . 1 3 3 ARG CA C 13 56.28 0 . . . 1 . . . 3 ARG CA . 53326 1
34 . 1 . 1 3 3 ARG CB C 13 30.851 0 . . . 2 . . . 3 ARG CB . 53326 1
35 . 1 . 1 3 3 ARG CG C 13 27.125 0 . . . 1 . . . 3 ARG CG . 53326 1
36 . 1 . 1 3 3 ARG CD C 13 43.283 0 . . . 1 . . . 3 ARG CD . 53326 1
37 . 1 . 1 4 4 HIS HA H 1 4.641 0.001 . . . 3 . . . 4 HIS HA . 53326 1
38 . 1 . 1 4 4 HIS HB2 H 1 3.056 0.002 . . . 6 . . . 4 HIS HB . 53326 1
39 . 1 . 1 4 4 HIS HB3 H 1 3.056 0.002 . . . 6 . . . 4 HIS HB . 53326 1
40 . 1 . 1 4 4 HIS HD2 H 1 6.952 0.002 . . . 7 . . . 4 HIS HD2 . 53326 1
41 . 1 . 1 4 4 HIS HE1 H 1 7.734 0.005 . . . 3 . . . 4 HIS HE1 . 53326 1
42 . 1 . 1 4 4 HIS CA C 13 56.274 0 . . . 1 . . . 4 HIS CA . 53326 1
43 . 1 . 1 4 4 HIS CB C 13 31.084 0 . . . 1 . . . 4 HIS CB . 53326 1
44 . 1 . 1 5 5 VAL H H 1 8.047 0.002 . . . 3 . . . 5 VAL H . 53326 1
45 . 1 . 1 5 5 VAL HA H 1 4.059 0.002 . . . 8 . . . 5 VAL HA . 53326 1
46 . 1 . 1 5 5 VAL HB H 1 2.008 0.002 . . . 6 . . . 5 VAL HB . 53326 1
47 . 1 . 1 5 5 VAL HG11 H 1 0.889 0 . . . 1 . . . 5 VAL HG1 . 53326 1
48 . 1 . 1 5 5 VAL HG12 H 1 0.889 0 . . . 1 . . . 5 VAL HG1 . 53326 1
49 . 1 . 1 5 5 VAL HG13 H 1 0.889 0 . . . 1 . . . 5 VAL HG1 . 53326 1
50 . 1 . 1 5 5 VAL HG21 H 1 0.885 0 . . . 1 . . . 5 VAL HG2 . 53326 1
51 . 1 . 1 5 5 VAL HG22 H 1 0.885 0 . . . 1 . . . 5 VAL HG2 . 53326 1
52 . 1 . 1 5 5 VAL HG23 H 1 0.885 0 . . . 1 . . . 5 VAL HG2 . 53326 1
53 . 1 . 1 5 5 VAL CA C 13 62.23 0 . . . 1 . . . 5 VAL CA . 53326 1
54 . 1 . 1 5 5 VAL CB C 13 32.828 0 . . . 1 . . . 5 VAL CB . 53326 1
55 . 1 . 1 5 5 VAL CG1 C 13 21.125 0 . . . 1 . . . 5 VAL CG1 . 53326 1
56 . 1 . 1 5 5 VAL CG2 C 13 20.563 0 . . . 1 . . . 5 VAL CG2 . 53326 1
57 . 1 . 1 6 6 LYS HA H 1 4.294 0 . . . 1 . . . 6 LYS HA . 53326 1
58 . 1 . 1 6 6 LYS HB2 H 1 1.774 0 . . . 1 . . . 6 LYS HB . 53326 1
59 . 1 . 1 6 6 LYS HB3 H 1 1.774 0 . . . 1 . . . 6 LYS HB . 53326 1
60 . 1 . 1 6 6 LYS HG2 H 1 1.463 0 . . . 1 . . . 6 LYS HG2 . 53326 1
61 . 1 . 1 6 6 LYS HG3 H 1 1.404 0 . . . 1 . . . 6 LYS HG3 . 53326 1
62 . 1 . 1 6 6 LYS HD2 H 1 1.685 0 . . . 1 . . . 6 LYS HD . 53326 1
63 . 1 . 1 6 6 LYS HD3 H 1 1.685 0 . . . 1 . . . 6 LYS HD . 53326 1
64 . 1 . 1 6 6 LYS HE2 H 1 2.992 0 . . . 1 . . . 6 LYS HE . 53326 1
65 . 1 . 1 6 6 LYS HE3 H 1 2.992 0 . . . 1 . . . 6 LYS HE . 53326 1
66 . 1 . 1 6 6 LYS CA C 13 56.28 0 . . . 1 . . . 6 LYS CA . 53326 1
67 . 1 . 1 6 6 LYS CB C 13 33.046 0 . . . 1 . . . 6 LYS CB . 53326 1
68 . 1 . 1 6 6 LYS CG C 13 24.814 0.013 . . . 2 . . . 6 LYS CG . 53326 1
69 . 1 . 1 6 6 LYS CD C 13 29.118 0 . . . 1 . . . 6 LYS CD . 53326 1
70 . 1 . 1 6 6 LYS CE C 13 42.084 0 . . . 1 . . . 6 LYS CE . 53326 1
71 . 1 . 1 7 7 LYS HA H 1 4.294 0 . . . 1 . . . 7 LYS HA . 53326 1
72 . 1 . 1 7 7 LYS HB2 H 1 1.78 0 . . . 1 . . . 7 LYS HB . 53326 1
73 . 1 . 1 7 7 LYS HB3 H 1 1.78 0 . . . 1 . . . 7 LYS HB . 53326 1
74 . 1 . 1 7 7 LYS HG2 H 1 1.463 0 . . . 1 . . . 7 LYS HG2 . 53326 1
75 . 1 . 1 7 7 LYS HG3 H 1 1.404 0 . . . 1 . . . 7 LYS HG3 . 53326 1
76 . 1 . 1 7 7 LYS HD2 H 1 1.685 0 . . . 1 . . . 7 LYS HD . 53326 1
77 . 1 . 1 7 7 LYS HD3 H 1 1.685 0 . . . 1 . . . 7 LYS HD . 53326 1
78 . 1 . 1 7 7 LYS HE2 H 1 2.992 0 . . . 1 . . . 7 LYS HE . 53326 1
79 . 1 . 1 7 7 LYS HE3 H 1 2.992 0 . . . 1 . . . 7 LYS HE . 53326 1
80 . 1 . 1 7 7 LYS CA C 13 56.28 0 . . . 1 . . . 7 LYS CA . 53326 1
81 . 1 . 1 7 7 LYS CB C 13 33.045 0 . . . 1 . . . 7 LYS CB . 53326 1
82 . 1 . 1 7 7 LYS CG C 13 24.814 0.013 . . . 2 . . . 7 LYS CG . 53326 1
83 . 1 . 1 7 7 LYS CD C 13 29.118 0 . . . 1 . . . 7 LYS CD . 53326 1
84 . 1 . 1 7 7 LYS CE C 13 42.084 0 . . . 1 . . . 7 LYS CE . 53326 1
85 . 1 . 1 8 8 ARG HA H 1 4.357 0 . . . 2 . . . 8 ARG HA . 53326 1
86 . 1 . 1 8 8 ARG HB2 H 1 1.751 0.003 . . . 3 . . . 8 ARG HB . 53326 1
87 . 1 . 1 8 8 ARG HB3 H 1 1.751 0.003 . . . 3 . . . 8 ARG HB . 53326 1
88 . 1 . 1 8 8 ARG HG2 H 1 1.59 0.012 . . . 2 . . . 8 ARG HG . 53326 1
89 . 1 . 1 8 8 ARG HG3 H 1 1.59 0.012 . . . 2 . . . 8 ARG HG . 53326 1
90 . 1 . 1 8 8 ARG HD2 H 1 3.194 0.002 . . . 5 . . . 8 ARG HD . 53326 1
91 . 1 . 1 8 8 ARG HD3 H 1 3.194 0.002 . . . 5 . . . 8 ARG HD . 53326 1
92 . 1 . 1 8 8 ARG CA C 13 55.985 0 . . . 1 . . . 8 ARG CA . 53326 1
93 . 1 . 1 8 8 ARG CB C 13 30.836 0 . . . 1 . . . 8 ARG CB . 53326 1
94 . 1 . 1 8 8 ARG CG C 13 27.192 0 . . . 1 . . . 8 ARG CG . 53326 1
95 . 1 . 1 8 8 ARG CD C 13 43.363 0 . . . 1 . . . 8 ARG CD . 53326 1
96 . 1 . 1 9 9 VAL H H 1 8.222 0.004 . . . 2 . . . 9 VAL H . 53326 1
97 . 1 . 1 9 9 VAL HA H 1 4.127 0.001 . . . 8 . . . 9 VAL HA . 53326 1
98 . 1 . 1 9 9 VAL HB H 1 2.068 0.002 . . . 8 . . . 9 VAL HB . 53326 1
99 . 1 . 1 9 9 VAL HG11 H 1 0.934 0 . . . 1 . . . 9 VAL HG1 . 53326 1
100 . 1 . 1 9 9 VAL HG12 H 1 0.934 0 . . . 1 . . . 9 VAL HG1 . 53326 1
101 . 1 . 1 9 9 VAL HG13 H 1 0.934 0 . . . 1 . . . 9 VAL HG1 . 53326 1
102 . 1 . 1 9 9 VAL HG21 H 1 0.924 0 . . . 1 . . . 9 VAL HG2 . 53326 1
103 . 1 . 1 9 9 VAL HG22 H 1 0.924 0 . . . 1 . . . 9 VAL HG2 . 53326 1
104 . 1 . 1 9 9 VAL HG23 H 1 0.924 0 . . . 1 . . . 9 VAL HG2 . 53326 1
105 . 1 . 1 9 9 VAL CA C 13 62.132 0 . . . 1 . . . 9 VAL CA . 53326 1
106 . 1 . 1 9 9 VAL CB C 13 32.939 0 . . . 1 . . . 9 VAL CB . 53326 1
107 . 1 . 1 9 9 VAL CG1 C 13 20.461 0 . . . 1 . . . 9 VAL CG1 . 53326 1
108 . 1 . 1 9 9 VAL CG2 C 13 21.2 0 . . . 1 . . . 9 VAL CG2 . 53326 1
109 . 1 . 1 10 10 LYS HA H 1 4.294 0 . . . 1 . . . 10 LYS HA . 53326 1
110 . 1 . 1 10 10 LYS HB2 H 1 1.738 0 . . . 1 . . . 10 LYS HB . 53326 1
111 . 1 . 1 10 10 LYS HB3 H 1 1.738 0 . . . 1 . . . 10 LYS HB . 53326 1
112 . 1 . 1 10 10 LYS HG2 H 1 1.463 0 . . . 1 . . . 10 LYS HG2 . 53326 1
113 . 1 . 1 10 10 LYS HG3 H 1 1.404 0 . . . 1 . . . 10 LYS HG3 . 53326 1
114 . 1 . 1 10 10 LYS HD2 H 1 1.685 0 . . . 1 . . . 10 LYS HD . 53326 1
115 . 1 . 1 10 10 LYS HD3 H 1 1.685 0 . . . 1 . . . 10 LYS HD . 53326 1
116 . 1 . 1 10 10 LYS HE2 H 1 2.992 0 . . . 1 . . . 10 LYS HE . 53326 1
117 . 1 . 1 10 10 LYS HE3 H 1 2.992 0 . . . 1 . . . 10 LYS HE . 53326 1
118 . 1 . 1 10 10 LYS CA C 13 56.28 0 . . . 1 . . . 10 LYS CA . 53326 1
119 . 1 . 1 10 10 LYS CB C 13 33.097 0 . . . 1 . . . 10 LYS CB . 53326 1
120 . 1 . 1 10 10 LYS CG C 13 24.814 0.013 . . . 2 . . . 10 LYS CG . 53326 1
121 . 1 . 1 10 10 LYS CD C 13 29.118 0 . . . 1 . . . 10 LYS CD . 53326 1
122 . 1 . 1 10 10 LYS CE C 13 42.084 0 . . . 1 . . . 10 LYS CE . 53326 1
123 . 1 . 1 11 11 GLY HA2 H 1 3.945 0 . . . 1 . . . 11 GLY HA . 53326 1
124 . 1 . 1 11 11 GLY HA3 H 1 3.945 0 . . . 1 . . . 11 GLY HA . 53326 1
125 . 1 . 1 11 11 GLY CA C 13 45.227 0 . . . 1 . . . 11 GLY CA . 53326 1
126 . 1 . 1 12 12 LEU H H 1 8.233 0 . . . 3 . . . 12 LEU H . 53326 1
127 . 1 . 1 12 12 LEU HA H 1 4.322 0 . . . 2 . . . 12 LEU HA . 53326 1
128 . 1 . 1 12 12 LEU HB2 H 1 1.656 0.001 . . . 2 . . . 12 LEU HB . 53326 1
129 . 1 . 1 12 12 LEU HB3 H 1 1.656 0.001 . . . 2 . . . 12 LEU HB . 53326 1
130 . 1 . 1 12 12 LEU HD11 H 1 0.925 0 . . . 1 . . . 12 LEU HD . 53326 1
131 . 1 . 1 12 12 LEU HD12 H 1 0.925 0 . . . 1 . . . 12 LEU HD . 53326 1
132 . 1 . 1 12 12 LEU HD13 H 1 0.925 0 . . . 1 . . . 12 LEU HD . 53326 1
133 . 1 . 1 12 12 LEU HD21 H 1 0.925 0 . . . 1 . . . 12 LEU HD . 53326 1
134 . 1 . 1 12 12 LEU HD22 H 1 0.925 0 . . . 1 . . . 12 LEU HD . 53326 1
135 . 1 . 1 12 12 LEU HD23 H 1 0.925 0 . . . 1 . . . 12 LEU HD . 53326 1
136 . 1 . 1 12 12 LEU CA C 13 55.365 0 . . . 1 . . . 12 LEU CA . 53326 1
137 . 1 . 1 12 12 LEU CB C 13 42.368 0 . . . 1 . . . 12 LEU CB . 53326 1
138 . 1 . 1 13 13 LYS H H 1 8.393 0.001 . . . 4 . . . 13 LYS H . 53326 1
139 . 1 . 1 13 13 LYS HA H 1 4.294 0 . . . 1 . . . 13 LYS HA . 53326 1
140 . 1 . 1 13 13 LYS HB2 H 1 1.82 0 . . . 1 . . . 13 LYS HB2 . 53326 1
141 . 1 . 1 13 13 LYS HB3 H 1 1.802 0 . . . 1 . . . 13 LYS HB3 . 53326 1
142 . 1 . 1 13 13 LYS HG2 H 1 1.466 0.003 . . . 2 . . . 13 LYS HG2 . 53326 1
143 . 1 . 1 13 13 LYS HG3 H 1 1.405 0 . . . 2 . . . 13 LYS HG3 . 53326 1
144 . 1 . 1 13 13 LYS HD2 H 1 1.687 0.002 . . . 2 . . . 13 LYS HD . 53326 1
145 . 1 . 1 13 13 LYS HD3 H 1 1.687 0.002 . . . 2 . . . 13 LYS HD . 53326 1
146 . 1 . 1 13 13 LYS HE2 H 1 2.992 0 . . . 1 . . . 13 LYS HE . 53326 1
147 . 1 . 1 13 13 LYS HE3 H 1 2.992 0 . . . 1 . . . 13 LYS HE . 53326 1
148 . 1 . 1 13 13 LYS CA C 13 56.28 0 . . . 1 . . . 13 LYS CA . 53326 1
149 . 1 . 1 13 13 LYS CB C 13 33.065 0.007 . . . 2 . . . 13 LYS CB . 53326 1
150 . 1 . 1 13 13 LYS CG C 13 24.814 0.013 . . . 2 . . . 13 LYS CG . 53326 1
151 . 1 . 1 13 13 LYS CD C 13 29.118 0 . . . 1 . . . 13 LYS CD . 53326 1
152 . 1 . 1 13 13 LYS CE C 13 42.084 0 . . . 1 . . . 13 LYS CE . 53326 1
153 . 1 . 1 14 14 SER HA H 1 4.439 0.001 . . . 5 . . . 14 SER HA . 53326 1
154 . 1 . 1 14 14 SER HB2 H 1 3.876 0 . . . 1 . . . 14 SER HB2 . 53326 1
155 . 1 . 1 14 14 SER HB3 H 1 3.856 0 . . . 1 . . . 14 SER HB3 . 53326 1
156 . 1 . 1 14 14 SER CA C 13 58.211 0 . . . 1 . . . 14 SER CA . 53326 1
157 . 1 . 1 14 14 SER CB C 13 63.707 0 . . . 1 . . . 14 SER CB . 53326 1
158 . 1 . 1 15 15 LEU HA H 1 3.835 0.01 . . . 4 . . . 15 LEU HA . 53326 1
159 . 1 . 1 15 15 LEU HB2 H 1 1.627 0.002 . . . 2 . . . 15 LEU HB2 . 53326 1
160 . 1 . 1 15 15 LEU HB3 H 1 1.577 0.002 . . . 2 . . . 15 LEU HB3 . 53326 1
161 . 1 . 1 15 15 LEU HG H 1 1.609 0 . . . 1 . . . 15 LEU HG . 53326 1
162 . 1 . 1 15 15 LEU HD11 H 1 0.915 0 . . . 1 . . . 15 LEU HD . 53326 1
163 . 1 . 1 15 15 LEU HD12 H 1 0.915 0 . . . 1 . . . 15 LEU HD . 53326 1
164 . 1 . 1 15 15 LEU HD13 H 1 0.915 0 . . . 1 . . . 15 LEU HD . 53326 1
165 . 1 . 1 15 15 LEU HD21 H 1 0.915 0 . . . 1 . . . 15 LEU HD . 53326 1
166 . 1 . 1 15 15 LEU HD22 H 1 0.915 0 . . . 1 . . . 15 LEU HD . 53326 1
167 . 1 . 1 15 15 LEU HD23 H 1 0.915 0 . . . 1 . . . 15 LEU HD . 53326 1
168 . 1 . 1 15 15 LEU CA C 13 54.875 0 . . . 1 . . . 15 LEU CA . 53326 1
169 . 1 . 1 15 15 LEU CB C 13 44.025 0.034 . . . 2 . . . 15 LEU CB . 53326 1
170 . 1 . 1 15 15 LEU CG C 13 26.879 0 . . . 1 . . . 15 LEU CG . 53326 1
171 . 1 . 1 15 15 LEU CD1 C 13 24.043 0 . . . 1 . . . 15 LEU CD . 53326 1
172 . 1 . 1 15 15 LEU CD2 C 13 24.043 0 . . . 1 . . . 15 LEU CD . 53326 1
173 . 1 . 1 16 16 THR HA H 1 4.28 0.001 . . . 6 . . . 16 THR HA . 53326 1
174 . 1 . 1 16 16 THR HB H 1 4.205 0.001 . . . 6 . . . 16 THR HB . 53326 1
175 . 1 . 1 16 16 THR HG21 H 1 1.202 0 . . . 3 . . . 16 THR HG2 . 53326 1
176 . 1 . 1 16 16 THR HG22 H 1 1.202 0 . . . 3 . . . 16 THR HG2 . 53326 1
177 . 1 . 1 16 16 THR HG23 H 1 1.202 0 . . . 3 . . . 16 THR HG2 . 53326 1
178 . 1 . 1 16 16 THR CA C 13 62.351 0 . . . 1 . . . 16 THR CA . 53326 1
179 . 1 . 1 16 16 THR CB C 13 69.582 0 . . . 1 . . . 16 THR CB . 53326 1
180 . 1 . 1 16 16 THR CG2 C 13 21.618 0 . . . 1 . . . 16 THR CG2 . 53326 1
181 . 1 . 1 17 17 THR HA H 1 4.347 0.001 . . . 7 . . . 17 THR HA . 53326 1
182 . 1 . 1 17 17 THR HB H 1 4.243 0.001 . . . 4 . . . 17 THR HB . 53326 1
183 . 1 . 1 17 17 THR HG21 H 1 1.207 0.001 . . . 4 . . . 17 THR HG2 . 53326 1
184 . 1 . 1 17 17 THR HG22 H 1 1.207 0.001 . . . 4 . . . 17 THR HG2 . 53326 1
185 . 1 . 1 17 17 THR HG23 H 1 1.207 0.001 . . . 4 . . . 17 THR HG2 . 53326 1
186 . 1 . 1 17 17 THR CA C 13 62.276 0 . . . 1 . . . 17 THR CA . 53326 1
187 . 1 . 1 17 17 THR CB C 13 69.613 0 . . . 1 . . . 17 THR CB . 53326 1
188 . 1 . 1 17 17 THR CG2 C 13 21.561 0 . . . 1 . . . 17 THR CG2 . 53326 1
189 . 1 . 1 18 18 LEU HA H 1 4.42 0.001 . . . 7 . . . 18 LEU HA . 53326 1
190 . 1 . 1 18 18 LEU HB2 H 1 1.693 0 . . . 1 . . . 18 LEU HB2 . 53326 1
191 . 1 . 1 18 18 LEU HB3 H 1 1.656 0 . . . 2 . . . 18 LEU HB3 . 53326 1
192 . 1 . 1 18 18 LEU HG H 1 1.667 0 . . . 1 . . . 18 LEU HG . 53326 1
193 . 1 . 1 18 18 LEU HD11 H 1 0.94 0.001 . . . 3 . . . 18 LEU HD1 . 53326 1
194 . 1 . 1 18 18 LEU HD12 H 1 0.94 0.001 . . . 3 . . . 18 LEU HD1 . 53326 1
195 . 1 . 1 18 18 LEU HD13 H 1 0.94 0.001 . . . 3 . . . 18 LEU HD1 . 53326 1
196 . 1 . 1 18 18 LEU HD21 H 1 0.882 0 . . . 3 . . . 18 LEU HD2 . 53326 1
197 . 1 . 1 18 18 LEU HD22 H 1 0.882 0 . . . 3 . . . 18 LEU HD2 . 53326 1
198 . 1 . 1 18 18 LEU HD23 H 1 0.882 0 . . . 3 . . . 18 LEU HD2 . 53326 1
199 . 1 . 1 18 18 LEU CA C 13 55.545 0 . . . 1 . . . 18 LEU CA . 53326 1
200 . 1 . 1 18 18 LEU CB C 13 42.368 0 . . . 2 . . . 18 LEU CB . 53326 1
201 . 1 . 1 18 18 LEU CG C 13 26.935 0 . . . 1 . . . 18 LEU CG . 53326 1
202 . 1 . 1 18 18 LEU CD1 C 13 24.871 0 . . . 1 . . . 18 LEU CD1 . 53326 1
203 . 1 . 1 18 18 LEU CD2 C 13 23.503 0 . . . 1 . . . 18 LEU CD2 . 53326 1
204 . 1 . 1 19 19 LEU H H 1 8.138 0.003 . . . 6 . . . 19 LEU H . 53326 1
205 . 1 . 1 19 19 LEU HA H 1 4.318 0 . . . 3 . . . 19 LEU HA . 53326 1
206 . 1 . 1 19 19 LEU HB2 H 1 1.637 0 . . . 2 . . . 19 LEU HB2 . 53326 1
207 . 1 . 1 19 19 LEU HB3 H 1 1.616 0 . . . 2 . . . 19 LEU HB3 . 53326 1
208 . 1 . 1 19 19 LEU HD11 H 1 0.925 0 . . . 1 . . . 19 LEU HD1 . 53326 1
209 . 1 . 1 19 19 LEU HD12 H 1 0.925 0 . . . 1 . . . 19 LEU HD1 . 53326 1
210 . 1 . 1 19 19 LEU HD13 H 1 0.925 0 . . . 1 . . . 19 LEU HD1 . 53326 1
211 . 1 . 1 19 19 LEU HD21 H 1 0.865 0 . . . 1 . . . 19 LEU HD2 . 53326 1
212 . 1 . 1 19 19 LEU HD22 H 1 0.865 0 . . . 1 . . . 19 LEU HD2 . 53326 1
213 . 1 . 1 19 19 LEU HD23 H 1 0.865 0 . . . 1 . . . 19 LEU HD2 . 53326 1
214 . 1 . 1 19 19 LEU CA C 13 55.365 0 . . . 1 . . . 19 LEU CA . 53326 1
215 . 1 . 1 19 19 LEU CB C 13 42.463 0 . . . 2 . . . 19 LEU CB . 53326 1
216 . 1 . 1 20 20 ARG H H 1 8.149 0 . . . 3 . . . 20 ARG H . 53326 1
217 . 1 . 1 20 20 ARG HA H 1 4.312 0 . . . 1 . . . 20 ARG HA . 53326 1
218 . 1 . 1 20 20 ARG HB2 H 1 1.831 0.007 . . . 4 . . . 20 ARG HB2 . 53326 1
219 . 1 . 1 20 20 ARG HB3 H 1 1.751 0.001 . . . 2 . . . 20 ARG HB3 . 53326 1
220 . 1 . 1 20 20 ARG HG2 H 1 1.643 0.002 . . . 2 . . . 20 ARG HG . 53326 1
221 . 1 . 1 20 20 ARG HG3 H 1 1.643 0.002 . . . 2 . . . 20 ARG HG . 53326 1
222 . 1 . 1 20 20 ARG HD2 H 1 3.197 0.001 . . . 6 . . . 20 ARG HD . 53326 1
223 . 1 . 1 20 20 ARG HD3 H 1 3.197 0.001 . . . 6 . . . 20 ARG HD . 53326 1
224 . 1 . 1 20 20 ARG CA C 13 56.569 0 . . . 1 . . . 20 ARG CA . 53326 1
225 . 1 . 1 20 20 ARG CB C 13 30.858 0 . . . 1 . . . 20 ARG CB . 53326 1
226 . 1 . 1 20 20 ARG CG C 13 27.279 0 . . . 1 . . . 20 ARG CG . 53326 1
227 . 1 . 1 20 20 ARG CD C 13 43.363 0 . . . 1 . . . 20 ARG CD . 53326 1
228 . 1 . 1 21 21 ALA H H 1 8.238 0.001 . . . 2 . . . 21 ALA H . 53326 1
229 . 1 . 1 21 21 ALA HA H 1 4.315 0.001 . . . 3 . . . 21 ALA HA . 53326 1
230 . 1 . 1 21 21 ALA HB1 H 1 1.397 0.002 . . . 5 . . . 21 ALA HB . 53326 1
231 . 1 . 1 21 21 ALA HB2 H 1 1.397 0.002 . . . 5 . . . 21 ALA HB . 53326 1
232 . 1 . 1 21 21 ALA HB3 H 1 1.397 0.002 . . . 5 . . . 21 ALA HB . 53326 1
233 . 1 . 1 21 21 ALA CA C 13 52.534 0 . . . 1 . . . 21 ALA CA . 53326 1
234 . 1 . 1 21 21 ALA CB C 13 19.155 0 . . . 1 . . . 21 ALA CB . 53326 1
235 . 1 . 1 22 22 LEU H H 1 8.195 0.003 . . . 6 . . . 22 LEU H . 53326 1
236 . 1 . 1 22 22 LEU HA H 1 4.355 0.002 . . . 3 . . . 22 LEU HA . 53326 1
237 . 1 . 1 22 22 LEU HB2 H 1 1.668 0 . . . 2 . . . 22 LEU HB2 . 53326 1
238 . 1 . 1 22 22 LEU HB3 H 1 1.634 0 . . . 2 . . . 22 LEU HB3 . 53326 1
239 . 1 . 1 22 22 LEU HD11 H 1 0.929 0 . . . 1 . . . 22 LEU HD1 . 53326 1
240 . 1 . 1 22 22 LEU HD12 H 1 0.929 0 . . . 1 . . . 22 LEU HD1 . 53326 1
241 . 1 . 1 22 22 LEU HD13 H 1 0.929 0 . . . 1 . . . 22 LEU HD1 . 53326 1
242 . 1 . 1 22 22 LEU HD21 H 1 0.869 0 . . . 1 . . . 22 LEU HD2 . 53326 1
243 . 1 . 1 22 22 LEU HD22 H 1 0.869 0 . . . 1 . . . 22 LEU HD2 . 53326 1
244 . 1 . 1 22 22 LEU HD23 H 1 0.869 0 . . . 1 . . . 22 LEU HD2 . 53326 1
245 . 1 . 1 22 22 LEU CA C 13 55.134 0 . . . 1 . . . 22 LEU CA . 53326 1
246 . 1 . 1 22 22 LEU CB C 13 42.471 0 . . . 2 . . . 22 LEU CB . 53326 1
247 . 1 . 1 23 23 GLY H H 1 7.856 0 . . . 3 . . . 23 GLY H . 53326 1
248 . 1 . 1 23 23 GLY HA2 H 1 3.758 0.001 . . . 2 . . . 23 GLY HA2 . 53326 1
249 . 1 . 1 23 23 GLY HA3 H 1 3.736 0.001 . . . 2 . . . 23 GLY HA3 . 53326 1
250 . 1 . 1 23 23 GLY CA C 13 46.094 0.014 . . . 2 . . . 23 GLY CA . 53326 1
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