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 51672
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name grasppeptide_chemshift
_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
4 '2D 1H-1H TOCSY' . . . 51672 1
5 '2D DQF-COSY' . . . 51672 1
6 '2D 1H-1H NOESY' . . . 51672 1
7 '2D 1H-13C HSQC-TOCSY' . . . 51672 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
2 $software_2 . . 51672 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 THR HA H 1 3.91 0.02 . 1 . . . . . 1 THR HA . 51672 1
2 . 1 . 1 1 1 THR HB H 1 4.17 0.02 . 1 . . . . . 1 THR HB . 51672 1
3 . 1 . 1 1 1 THR HG21 H 1 1.31 0.02 . 1 . . . . . 1 THR HG21 . 51672 1
4 . 1 . 1 1 1 THR HG22 H 1 1.31 0.02 . 1 . . . . . 1 THR HG22 . 51672 1
5 . 1 . 1 1 1 THR HG23 H 1 1.31 0.02 . 1 . . . . . 1 THR HG23 . 51672 1
6 . 1 . 1 1 1 THR CA C 13 61.9 0.2 . 1 . . . . . 1 THR CA . 51672 1
7 . 1 . 1 1 1 THR CB C 13 69.1 0.2 . 1 . . . . . 1 THR CB . 51672 1
8 . 1 . 1 1 1 THR CG2 C 13 21.4 0.2 . 1 . . . . . 1 THR CG2 . 51672 1
9 . 1 . 1 2 2 LYS H H 1 8.80 0.02 . 1 . . . . . 2 LYS H . 51672 1
10 . 1 . 1 2 2 LYS HA H 1 4.32 0.02 . 1 . . . . . 2 LYS HA . 51672 1
11 . 1 . 1 2 2 LYS HB2 H 1 1.85 0.02 . 2 . . . . . 2 LYS HB2 . 51672 1
12 . 1 . 1 2 2 LYS HB3 H 1 1.77 0.02 . 2 . . . . . 2 LYS HB3 . 51672 1
13 . 1 . 1 2 2 LYS HG2 H 1 1.43 0.02 . 2 . . . . . 2 LYS HG2 . 51672 1
14 . 1 . 1 2 2 LYS HG3 H 1 1.43 0.02 . 2 . . . . . 2 LYS HG3 . 51672 1
15 . 1 . 1 2 2 LYS HD2 H 1 1.63 0.02 . 2 . . . . . 2 LYS HD2 . 51672 1
16 . 1 . 1 2 2 LYS HD3 H 1 1.63 0.02 . 2 . . . . . 2 LYS HD3 . 51672 1
17 . 1 . 1 2 2 LYS HE2 H 1 3.33 0.02 . 2 . . . . . 2 LYS HE2 . 51672 1
18 . 1 . 1 2 2 LYS HE3 H 1 3.33 0.02 . 2 . . . . . 2 LYS HE3 . 51672 1
19 . 1 . 1 2 2 LYS CA C 13 57.1 0.2 . 1 . . . . . 2 LYS CA . 51672 1
20 . 1 . 1 2 2 LYS CB C 13 33.1 0.2 . 1 . . . . . 2 LYS CB . 51672 1
21 . 1 . 1 2 2 LYS CG C 13 24.9 0.2 . 1 . . . . . 2 LYS CG . 51672 1
22 . 1 . 1 2 2 LYS CD C 13 30.3 0.2 . 1 . . . . . 2 LYS CD . 51672 1
23 . 1 . 1 3 3 GLU H H 1 8.53 0.02 . 1 . . . . . 3 GLU H . 51672 1
24 . 1 . 1 3 3 GLU HA H 1 4.24 0.02 . 1 . . . . . 3 GLU HA . 51672 1
25 . 1 . 1 3 3 GLU HB2 H 1 2.02 0.02 . 2 . . . . . 3 GLU HB2 . 51672 1
26 . 1 . 1 3 3 GLU HB3 H 1 1.97 0.02 . 2 . . . . . 3 GLU HB3 . 51672 1
27 . 1 . 1 3 3 GLU HG2 H 1 2.36 0.02 . 2 . . . . . 3 GLU HG2 . 51672 1
28 . 1 . 1 3 3 GLU HG3 H 1 2.36 0.02 . 2 . . . . . 3 GLU HG3 . 51672 1
29 . 1 . 1 3 3 GLU CA C 13 56.8 0.2 . 1 . . . . . 3 GLU CA . 51672 1
30 . 1 . 1 3 3 GLU CB C 13 29.6 0.2 . 1 . . . . . 3 GLU CB . 51672 1
31 . 1 . 1 3 3 GLU CG C 13 34.4 0.2 . 1 . . . . . 3 GLU CG . 51672 1
32 . 1 . 1 4 4 GLU H H 1 8.30 0.02 . 1 . . . . . 4 GLU H . 51672 1
33 . 1 . 1 4 4 GLU HA H 1 4.35 0.02 . 1 . . . . . 4 GLU HA . 51672 1
34 . 1 . 1 4 4 GLU HB2 H 1 2.02 0.02 . 2 . . . . . 4 GLU HB2 . 51672 1
35 . 1 . 1 4 4 GLU HB3 H 1 1.95 0.02 . 2 . . . . . 4 GLU HB3 . 51672 1
36 . 1 . 1 4 4 GLU HG2 H 1 2.30 0.02 . 2 . . . . . 4 GLU HG2 . 51672 1
37 . 1 . 1 4 4 GLU CA C 13 55.8 0.2 . 1 . . . . . 4 GLU CA . 51672 1
38 . 1 . 1 4 4 GLU CB C 13 29.3 0.2 . 1 . . . . . 4 GLU CB . 51672 1
39 . 1 . 1 4 4 GLU CG C 13 33.8 0.2 . 1 . . . . . 4 GLU CG . 51672 1
40 . 1 . 1 5 5 LEU H H 1 8.10 0.02 . 1 . . . . . 5 LEU H . 51672 1
41 . 1 . 1 5 5 LEU HA H 1 4.31 0.02 . 1 . . . . . 5 LEU HA . 51672 1
42 . 1 . 1 5 5 LEU HB2 H 1 1.64 0.02 . 2 . . . . . 5 LEU HB2 . 51672 1
43 . 1 . 1 5 5 LEU HB3 H 1 1.64 0.02 . 2 . . . . . 5 LEU HB3 . 51672 1
44 . 1 . 1 5 5 LEU HD11 H 1 0.91 0.02 . 2 . . . . . 5 LEU HD11 . 51672 1
45 . 1 . 1 5 5 LEU HD12 H 1 0.91 0.02 . 2 . . . . . 5 LEU HD12 . 51672 1
46 . 1 . 1 5 5 LEU HD13 H 1 0.91 0.02 . 2 . . . . . 5 LEU HD13 . 51672 1
47 . 1 . 1 5 5 LEU HD21 H 1 0.86 0.02 . 2 . . . . . 5 LEU HD21 . 51672 1
48 . 1 . 1 5 5 LEU HD22 H 1 0.86 0.02 . 2 . . . . . 5 LEU HD22 . 51672 1
49 . 1 . 1 5 5 LEU HD23 H 1 0.86 0.02 . 2 . . . . . 5 LEU HD23 . 51672 1
50 . 1 . 1 5 5 LEU CA C 13 55.4 0.2 . 1 . . . . . 5 LEU CA . 51672 1
51 . 1 . 1 5 5 LEU CB C 13 42.3 0.2 . 1 . . . . . 5 LEU CB . 51672 1
52 . 1 . 1 6 6 ILE H H 1 7.90 0.02 . 1 . . . . . 6 ILE H . 51672 1
53 . 1 . 1 6 6 ILE HA H 1 4.06 0.02 . 1 . . . . . 6 ILE HA . 51672 1
54 . 1 . 1 6 6 ILE HB H 1 1.80 0.02 . 1 . . . . . 6 ILE HB . 51672 1
55 . 1 . 1 6 6 ILE HG12 H 1 1.38 0.02 . 2 . . . . . 6 ILE HG12 . 51672 1
56 . 1 . 1 6 6 ILE HG13 H 1 1.14 0.02 . 2 . . . . . 6 ILE HG13 . 51672 1
57 . 1 . 1 6 6 ILE HG21 H 1 0.80 0.02 . 1 . . . . . 6 ILE HG21 . 51672 1
58 . 1 . 1 6 6 ILE HG22 H 1 0.80 0.02 . 1 . . . . . 6 ILE HG22 . 51672 1
59 . 1 . 1 6 6 ILE HG23 H 1 0.80 0.02 . 1 . . . . . 6 ILE HG23 . 51672 1
60 . 1 . 1 6 6 ILE HD11 H 1 0.83 0.02 . 1 . . . . . 6 ILE HD11 . 51672 1
61 . 1 . 1 6 6 ILE HD12 H 1 0.83 0.02 . 1 . . . . . 6 ILE HD12 . 51672 1
62 . 1 . 1 6 6 ILE HD13 H 1 0.83 0.02 . 1 . . . . . 6 ILE HD13 . 51672 1
63 . 1 . 1 6 6 ILE CA C 13 61.3 0.2 . 1 . . . . . 6 ILE CA . 51672 1
64 . 1 . 1 6 6 ILE CB C 13 38.5 0.2 . 1 . . . . . 6 ILE CB . 51672 1
65 . 1 . 1 6 6 ILE CG1 C 13 27.2 0.2 . 1 . . . . . 6 ILE CG1 . 51672 1
66 . 1 . 1 6 6 ILE CG2 C 13 17.2 0.2 . 1 . . . . . 6 ILE CG2 . 51672 1
67 . 1 . 1 6 6 ILE CD1 C 13 12.5 0.2 . 1 . . . . . 6 ILE CD1 . 51672 1
68 . 1 . 1 7 7 HIS H H 1 8.43 0.02 . 1 . . . . . 7 HIS H . 51672 1
69 . 1 . 1 7 7 HIS HA H 1 4.70 0.02 . 1 . . . . . 7 HIS HA . 51672 1
70 . 1 . 1 7 7 HIS HB2 H 1 3.27 0.02 . 2 . . . . . 7 HIS HB2 . 51672 1
71 . 1 . 1 7 7 HIS HB3 H 1 3.15 0.02 . 2 . . . . . 7 HIS HB3 . 51672 1
72 . 1 . 1 7 7 HIS CA C 13 55.1 0.2 . 1 . . . . . 7 HIS CA . 51672 1
73 . 1 . 1 7 7 HIS CB C 13 28.7 0.2 . 1 . . . . . 7 HIS CB . 51672 1
74 . 1 . 1 8 8 ALA H H 1 8.22 0.02 . 1 . . . . . 8 ALA H . 51672 1
75 . 1 . 1 8 8 ALA HA H 1 4.24 0.02 . 1 . . . . . 8 ALA HA . 51672 1
76 . 1 . 1 8 8 ALA HB1 H 1 1.34 0.02 . 1 . . . . . 8 ALA HB1 . 51672 1
77 . 1 . 1 8 8 ALA HB2 H 1 1.34 0.02 . 1 . . . . . 8 ALA HB2 . 51672 1
78 . 1 . 1 8 8 ALA HB3 H 1 1.34 0.02 . 1 . . . . . 8 ALA HB3 . 51672 1
79 . 1 . 1 8 8 ALA CA C 13 52.8 0.2 . 1 . . . . . 8 ALA CA . 51672 1
80 . 1 . 1 8 8 ALA CB C 13 19.3 0.2 . 1 . . . . . 8 ALA CB . 51672 1
81 . 1 . 1 9 9 HIS H H 1 8.44 0.02 . 1 . . . . . 9 HIS H . 51672 1
82 . 1 . 1 9 9 HIS HA H 1 4.66 0.02 . 1 . . . . . 9 HIS HA . 51672 1
83 . 1 . 1 9 9 HIS HB2 H 1 3.27 0.02 . 2 . . . . . 9 HIS HB2 . 51672 1
84 . 1 . 1 9 9 HIS HB3 H 1 3.15 0.02 . 2 . . . . . 9 HIS HB3 . 51672 1
85 . 1 . 1 9 9 HIS CA C 13 55.1 0.2 . 1 . . . . . 9 HIS CA . 51672 1
86 . 1 . 1 9 9 HIS CB C 13 29.1 0.2 . 1 . . . . . 9 HIS CB . 51672 1
87 . 1 . 1 10 10 ALA H H 1 8.29 0.02 . 1 . . . . . 10 ALA H . 51672 1
88 . 1 . 1 10 10 ALA HA H 1 4.34 0.02 . 1 . . . . . 10 ALA HA . 51672 1
89 . 1 . 1 10 10 ALA HB1 H 1 1.34 0.02 . 1 . . . . . 10 ALA HB1 . 51672 1
90 . 1 . 1 10 10 ALA HB2 H 1 1.34 0.02 . 1 . . . . . 10 ALA HB2 . 51672 1
91 . 1 . 1 10 10 ALA HB3 H 1 1.34 0.02 . 1 . . . . . 10 ALA HB3 . 51672 1
92 . 1 . 1 10 10 ALA CA C 13 52.2 0.2 . 1 . . . . . 10 ALA CA . 51672 1
93 . 1 . 1 10 10 ALA CB C 13 19.3 0.2 . 1 . . . . . 10 ALA CB . 51672 1
94 . 1 . 1 11 11 ASP H H 1 8.38 0.02 . 1 . . . . . 11 ASP H . 51672 1
95 . 1 . 1 11 11 ASP HA H 1 4.89 0.02 . 1 . . . . . 11 ASP HA . 51672 1
96 . 1 . 1 11 11 ASP HB2 H 1 2.58 0.02 . 2 . . . . . 11 ASP HB2 . 51672 1
97 . 1 . 1 11 11 ASP HB3 H 1 2.82 0.02 . 2 . . . . . 11 ASP HB3 . 51672 1
98 . 1 . 1 11 11 ASP CA C 13 52.1 0.2 . 1 . . . . . 11 ASP CA . 51672 1
99 . 1 . 1 11 11 ASP CB C 13 40.1 0.2 . 1 . . . . . 11 ASP CB . 51672 1
100 . 1 . 1 12 12 PRO HA H 1 4.41 0.02 . 1 . . . . . 12 PRO HA . 51672 1
101 . 1 . 1 12 12 PRO HB2 H 1 2.29 0.02 . 2 . . . . . 12 PRO HB2 . 51672 1
102 . 1 . 1 12 12 PRO HB3 H 1 2.29 0.02 . 2 . . . . . 12 PRO HB3 . 51672 1
103 . 1 . 1 12 12 PRO HG2 H 1 2.05 0.02 . 2 . . . . . 12 PRO HG2 . 51672 1
104 . 1 . 1 12 12 PRO HG3 H 1 2.05 0.02 . 2 . . . . . 12 PRO HG3 . 51672 1
105 . 1 . 1 12 12 PRO HD2 H 1 3.85 0.02 . 2 . . . . . 12 PRO HD2 . 51672 1
106 . 1 . 1 12 12 PRO HD3 H 1 3.77 0.02 . 2 . . . . . 12 PRO HD3 . 51672 1
107 . 1 . 1 12 12 PRO CA C 13 63.4 0.2 . 1 . . . . . 12 PRO CA . 51672 1
108 . 1 . 1 12 12 PRO CB C 13 32.0 0.2 . 1 . . . . . 12 PRO CB . 51672 1
109 . 1 . 1 12 12 PRO CG C 13 27.2 0.2 . 1 . . . . . 12 PRO CG . 51672 1
110 . 1 . 1 12 12 PRO CD C 13 50.7 0.2 . 1 . . . . . 12 PRO CD . 51672 1
111 . 1 . 1 13 13 MET HA H 1 4.41 0.02 . 1 . . . . . 13 MET HA . 51672 1
112 . 1 . 1 14 14 VAL H H 1 7.91 0.02 . 1 . . . . . 14 VAL H . 51672 1
113 . 1 . 1 14 14 VAL HA H 1 4.17 0.02 . 1 . . . . . 14 VAL HA . 51672 1
114 . 1 . 1 14 14 VAL HB H 1 2.07 0.02 . 1 . . . . . 14 VAL HB . 51672 1
115 . 1 . 1 15 15 LEU H H 1 8.09 0.02 . 1 . . . . . 15 LEU H . 51672 1
116 . 1 . 1 15 15 LEU HA H 1 4.28 0.02 . 1 . . . . . 15 LEU HA . 51672 1
117 . 1 . 1 15 15 LEU HB2 H 1 1.60 0.02 . 2 . . . . . 15 LEU HB2 . 51672 1
118 . 1 . 1 15 15 LEU HB3 H 1 1.60 0.02 . 2 . . . . . 15 LEU HB3 . 51672 1
119 . 1 . 1 15 15 LEU HG H 1 1.63 0.02 . 1 . . . . . 15 LEU HG . 51672 1
120 . 1 . 1 15 15 LEU HD11 H 1 0.91 0.02 . 2 . . . . . 15 LEU HD11 . 51672 1
121 . 1 . 1 15 15 LEU HD12 H 1 0.91 0.02 . 2 . . . . . 15 LEU HD12 . 51672 1
122 . 1 . 1 15 15 LEU HD13 H 1 0.91 0.02 . 2 . . . . . 15 LEU HD13 . 51672 1
123 . 1 . 1 15 15 LEU HD21 H 1 0.85 0.02 . 2 . . . . . 15 LEU HD21 . 51672 1
124 . 1 . 1 15 15 LEU HD22 H 1 0.85 0.02 . 2 . . . . . 15 LEU HD22 . 51672 1
125 . 1 . 1 15 15 LEU HD23 H 1 0.85 0.02 . 2 . . . . . 15 LEU HD23 . 51672 1
126 . 1 . 1 15 15 LEU CA C 13 55.8 0.2 . 1 . . . . . 15 LEU CA . 51672 1
127 . 1 . 1 16 16 ILE HA H 1 3.88 0.02 . 1 . . . . . 16 ILE HA . 51672 1
128 . 1 . 1 16 16 ILE HB H 1 1.96 0.02 . 1 . . . . . 16 ILE HB . 51672 1
129 . 1 . 1 16 16 ILE HG12 H 1 1.49 0.02 . 2 . . . . . 16 ILE HG12 . 51672 1
130 . 1 . 1 16 16 ILE HG13 H 1 1.22 0.02 . 2 . . . . . 16 ILE HG13 . 51672 1
131 . 1 . 1 16 16 ILE HG21 H 1 0.98 0.02 . 1 . . . . . 16 ILE HG21 . 51672 1
132 . 1 . 1 16 16 ILE HG22 H 1 0.98 0.02 . 1 . . . . . 16 ILE HG22 . 51672 1
133 . 1 . 1 16 16 ILE HG23 H 1 0.98 0.02 . 1 . . . . . 16 ILE HG23 . 51672 1
134 . 1 . 1 16 16 ILE HD11 H 1 0.92 0.02 . 1 . . . . . 16 ILE HD11 . 51672 1
135 . 1 . 1 16 16 ILE HD12 H 1 0.92 0.02 . 1 . . . . . 16 ILE HD12 . 51672 1
136 . 1 . 1 16 16 ILE HD13 H 1 0.92 0.02 . 1 . . . . . 16 ILE HD13 . 51672 1
137 . 1 . 1 16 16 ILE CA C 13 60.5 0.2 . 1 . . . . . 16 ILE CA . 51672 1
138 . 1 . 1 16 16 ILE CB C 13 39.1 0.2 . 1 . . . . . 16 ILE CB . 51672 1
139 . 1 . 1 16 16 ILE CG1 C 13 26.8 0.2 . 1 . . . . . 16 ILE CG1 . 51672 1
140 . 1 . 1 16 16 ILE CG2 C 13 16.7 0.2 . 1 . . . . . 16 ILE CG2 . 51672 1
141 . 1 . 1 16 16 ILE CD1 C 13 13.2 0.2 . 1 . . . . . 16 ILE CD1 . 51672 1
142 . 1 . 1 17 17 GLN H H 1 8.69 0.02 . 1 . . . . . 17 GLN H . 51672 1
143 . 1 . 1 17 17 GLN HA H 1 4.43 0.02 . 1 . . . . . 17 GLN HA . 51672 1
144 . 1 . 1 17 17 GLN HB2 H 1 2.08 0.02 . 2 . . . . . 17 GLN HB2 . 51672 1
145 . 1 . 1 17 17 GLN HB3 H 1 2.00 0.02 . 2 . . . . . 17 GLN HB3 . 51672 1
146 . 1 . 1 17 17 GLN HG2 H 1 2.36 0.02 . 2 . . . . . 17 GLN HG2 . 51672 1
147 . 1 . 1 17 17 GLN HG3 H 1 2.36 0.02 . 2 . . . . . 17 GLN HG3 . 51672 1
148 . 1 . 1 17 17 GLN CA C 13 55.6 0.2 . 1 . . . . . 17 GLN CA . 51672 1
149 . 1 . 1 17 17 GLN CB C 13 29.7 0.2 . 1 . . . . . 17 GLN CB . 51672 1
150 . 1 . 1 17 17 GLN CG C 13 33.6 0.2 . 1 . . . . . 17 GLN CG . 51672 1
151 . 1 . 1 18 18 LYS H H 1 8.56 0.02 . 1 . . . . . 18 LYS H . 51672 1
152 . 1 . 1 18 18 LYS HA H 1 4.40 0.02 . 1 . . . . . 18 LYS HA . 51672 1
153 . 1 . 1 18 18 LYS HB2 H 1 1.84 0.02 . 2 . . . . . 18 LYS HB2 . 51672 1
154 . 1 . 1 18 18 LYS HB3 H 1 1.76 0.02 . 2 . . . . . 18 LYS HB3 . 51672 1
155 . 1 . 1 18 18 LYS HG2 H 1 1.43 0.02 . 2 . . . . . 18 LYS HG2 . 51672 1
156 . 1 . 1 18 18 LYS HG3 H 1 1.43 0.02 . 2 . . . . . 18 LYS HG3 . 51672 1
157 . 1 . 1 18 18 LYS HD2 H 1 1.68 0.02 . 2 . . . . . 18 LYS HD2 . 51672 1
158 . 1 . 1 18 18 LYS HD3 H 1 1.68 0.02 . 2 . . . . . 18 LYS HD3 . 51672 1
159 . 1 . 1 18 18 LYS HE2 H 1 2.99 0.02 . 2 . . . . . 18 LYS HE2 . 51672 1
160 . 1 . 1 18 18 LYS HE3 H 1 2.99 0.02 . 2 . . . . . 18 LYS HE3 . 51672 1
161 . 1 . 1 18 18 LYS CA C 13 56.6 0.2 . 1 . . . . . 18 LYS CA . 51672 1
162 . 1 . 1 18 18 LYS CB C 13 33.0 0.2 . 1 . . . . . 18 LYS CB . 51672 1
163 . 1 . 1 18 18 LYS CG C 13 24.8 0.2 . 1 . . . . . 18 LYS CG . 51672 1
164 . 1 . 1 18 18 LYS CD C 13 29.0 0.2 . 1 . . . . . 18 LYS CD . 51672 1
165 . 1 . 1 18 18 LYS CE C 13 42.0 0.2 . 1 . . . . . 18 LYS CE . 51672 1
166 . 1 . 1 19 19 THR H H 1 8.21 0.02 . 1 . . . . . 19 THR H . 51672 1
167 . 1 . 1 19 19 THR HA H 1 4.38 0.02 . 1 . . . . . 19 THR HA . 51672 1
168 . 1 . 1 19 19 THR HB H 1 4.24 0.02 . 1 . . . . . 19 THR HB . 51672 1
169 . 1 . 1 19 19 THR HG21 H 1 1.19 0.02 . 1 . . . . . 19 THR HG21 . 51672 1
170 . 1 . 1 19 19 THR HG22 H 1 1.19 0.02 . 1 . . . . . 19 THR HG22 . 51672 1
171 . 1 . 1 19 19 THR HG23 H 1 1.19 0.02 . 1 . . . . . 19 THR HG23 . 51672 1
172 . 1 . 1 19 19 THR CA C 13 61.6 0.2 . 1 . . . . . 19 THR CA . 51672 1
173 . 1 . 1 19 19 THR CB C 13 69.8 0.2 . 1 . . . . . 19 THR CB . 51672 1
174 . 1 . 1 19 19 THR CG2 C 13 21.5 0.2 . 1 . . . . . 19 THR CG2 . 51672 1
175 . 1 . 1 20 20 ASP H H 1 8.47 0.02 . 1 . . . . . 20 ASP H . 51672 1
176 . 1 . 1 20 20 ASP HA H 1 4.73 0.02 . 1 . . . . . 20 ASP HA . 51672 1
177 . 1 . 1 20 20 ASP HB2 H 1 2.81 0.02 . 2 . . . . . 20 ASP HB2 . 51672 1
178 . 1 . 1 20 20 ASP HB3 H 1 2.73 0.02 . 2 . . . . . 20 ASP HB3 . 51672 1
179 . 1 . 1 20 20 ASP CA C 13 54.0 0.2 . 1 . . . . . 20 ASP CA . 51672 1
180 . 1 . 1 20 20 ASP CB C 13 40.3 0.2 . 1 . . . . . 20 ASP CB . 51672 1
181 . 1 . 1 21 21 THR H H 1 8.13 0.02 . 1 . . . . . 21 THR H . 51672 1
182 . 1 . 1 21 21 THR HA H 1 4.33 0.02 . 1 . . . . . 21 THR HA . 51672 1
183 . 1 . 1 21 21 THR HB H 1 4.30 0.02 . 1 . . . . . 21 THR HB . 51672 1
184 . 1 . 1 21 21 THR HG21 H 1 1.20 0.02 . 1 . . . . . 21 THR HG21 . 51672 1
185 . 1 . 1 21 21 THR HG22 H 1 1.20 0.02 . 1 . . . . . 21 THR HG22 . 51672 1
186 . 1 . 1 21 21 THR HG23 H 1 1.20 0.02 . 1 . . . . . 21 THR HG23 . 51672 1
187 . 1 . 1 21 21 THR CA C 13 62.1 0.2 . 1 . . . . . 21 THR CA . 51672 1
188 . 1 . 1 21 21 THR CB C 13 69.6 0.2 . 1 . . . . . 21 THR CB . 51672 1
189 . 1 . 1 21 21 THR CG2 C 13 21.5 0.2 . 1 . . . . . 21 THR CG2 . 51672 1
190 . 1 . 1 22 22 GLY H H 1 8.41 0.02 . 1 . . . . . 22 GLY H . 51672 1
191 . 1 . 1 22 22 GLY HA2 H 1 3.98 0.02 . 2 . . . . . 22 GLY HA2 . 51672 1
192 . 1 . 1 22 22 GLY HA3 H 1 3.98 0.02 . 2 . . . . . 22 GLY HA3 . 51672 1
193 . 1 . 1 22 22 GLY CA C 13 45.3 0.2 . 1 . . . . . 22 GLY CA . 51672 1
194 . 1 . 1 23 23 VAL H H 1 7.87 0.02 . 1 . . . . . 23 VAL H . 51672 1
195 . 1 . 1 23 23 VAL HA H 1 4.17 0.02 . 1 . . . . . 23 VAL HA . 51672 1
196 . 1 . 1 23 23 VAL HB H 1 2.07 0.02 . 1 . . . . . 23 VAL HB . 51672 1
197 . 1 . 1 23 23 VAL HG11 H 1 0.91 0.02 . 2 . . . . . 23 VAL HG11 . 51672 1
198 . 1 . 1 23 23 VAL HG12 H 1 0.91 0.02 . 2 . . . . . 23 VAL HG12 . 51672 1
199 . 1 . 1 23 23 VAL HG13 H 1 0.91 0.02 . 2 . . . . . 23 VAL HG13 . 51672 1
200 . 1 . 1 23 23 VAL HG21 H 1 0.92 0.02 . 2 . . . . . 23 VAL HG21 . 51672 1
201 . 1 . 1 23 23 VAL HG22 H 1 0.92 0.02 . 2 . . . . . 23 VAL HG22 . 51672 1
202 . 1 . 1 23 23 VAL HG23 H 1 0.92 0.02 . 2 . . . . . 23 VAL HG23 . 51672 1
203 . 1 . 1 23 23 VAL CA C 13 62.1 0.2 . 1 . . . . . 23 VAL CA . 51672 1
204 . 1 . 1 23 23 VAL CB C 13 32.8 0.2 . 1 . . . . . 23 VAL CB . 51672 1
205 . 1 . 1 23 23 VAL CG1 C 13 20.9 0.2 . 2 . . . . . 23 VAL CG1 . 51672 1
206 . 1 . 1 23 23 VAL CG2 C 13 20.3 0.2 . 2 . . . . . 23 VAL CG2 . 51672 1
207 . 1 . 1 24 24 SER H H 1 8.38 0.02 . 1 . . . . . 24 SER H . 51672 1
208 . 1 . 1 24 24 SER HA H 1 4.48 0.02 . 1 . . . . . 24 SER HA . 51672 1
209 . 1 . 1 24 24 SER HB2 H 1 3.85 0.02 . 2 . . . . . 24 SER HB2 . 51672 1
210 . 1 . 1 24 24 SER HB3 H 1 3.85 0.02 . 2 . . . . . 24 SER HB3 . 51672 1
211 . 1 . 1 24 24 SER CA C 13 58.0 0.2 . 1 . . . . . 24 SER CA . 51672 1
212 . 1 . 1 24 24 SER CB C 13 63.7 0.2 . 1 . . . . . 24 SER CB . 51672 1
213 . 1 . 1 25 25 LEU H H 1 8.39 0.02 . 1 . . . . . 25 LEU H . 51672 1
214 . 1 . 1 25 25 LEU HA H 1 4.35 0.02 . 1 . . . . . 25 LEU HA . 51672 1
215 . 1 . 1 25 25 LEU HB2 H 1 1.61 0.02 . 2 . . . . . 25 LEU HB2 . 51672 1
216 . 1 . 1 25 25 LEU HB3 H 1 1.61 0.02 . 2 . . . . . 25 LEU HB3 . 51672 1
217 . 1 . 1 25 25 LEU HG H 1 1.61 0.02 . 1 . . . . . 25 LEU HG . 51672 1
218 . 1 . 1 25 25 LEU HD11 H 1 0.91 0.02 . 2 . . . . . 25 LEU HD11 . 51672 1
219 . 1 . 1 25 25 LEU HD12 H 1 0.91 0.02 . 2 . . . . . 25 LEU HD12 . 51672 1
220 . 1 . 1 25 25 LEU HD13 H 1 0.91 0.02 . 2 . . . . . 25 LEU HD13 . 51672 1
221 . 1 . 1 25 25 LEU HD21 H 1 0.86 0.02 . 2 . . . . . 25 LEU HD21 . 51672 1
222 . 1 . 1 25 25 LEU HD22 H 1 0.86 0.02 . 2 . . . . . 25 LEU HD22 . 51672 1
223 . 1 . 1 25 25 LEU HD23 H 1 0.86 0.02 . 2 . . . . . 25 LEU HD23 . 51672 1
224 . 1 . 1 25 25 LEU CA C 13 55.2 0.2 . 1 . . . . . 25 LEU CA . 51672 1
225 . 1 . 1 25 25 LEU CB C 13 42.3 0.2 . 1 . . . . . 25 LEU CB . 51672 1
226 . 1 . 1 25 25 LEU CG C 13 26.9 0.2 . 1 . . . . . 25 LEU CG . 51672 1
227 . 1 . 1 25 25 LEU CD1 C 13 24.8 0.2 . 2 . . . . . 25 LEU CD1 . 51672 1
228 . 1 . 1 25 25 LEU CD2 C 13 23.5 0.2 . 2 . . . . . 25 LEU CD2 . 51672 1
229 . 1 . 1 26 26 GLN HA H 1 4.35 0.02 . 1 . . . . . 26 GLN HA . 51672 1
230 . 1 . 1 27 27 THR H H 1 8.03 0.02 . 1 . . . . . 27 THR H . 51672 1
231 . 1 . 1 27 27 THR HA H 1 4.27 0.02 . 1 . . . . . 27 THR HA . 51672 1
232 . 1 . 1 27 27 THR HB H 1 4.15 0.02 . 1 . . . . . 27 THR HB . 51672 1
233 . 1 . 1 27 27 THR HG21 H 1 1.12 0.02 . 1 . . . . . 27 THR HG21 . 51672 1
234 . 1 . 1 27 27 THR HG22 H 1 1.12 0.02 . 1 . . . . . 27 THR HG22 . 51672 1
235 . 1 . 1 27 27 THR HG23 H 1 1.12 0.02 . 1 . . . . . 27 THR HG23 . 51672 1
236 . 1 . 1 27 27 THR CA C 13 61.2 0.2 . 1 . . . . . 27 THR CA . 51672 1
237 . 1 . 1 27 27 THR CB C 13 69.7 0.2 . 1 . . . . . 27 THR CB . 51672 1
238 . 1 . 1 27 27 THR CG2 C 13 21.4 0.2 . 1 . . . . . 27 THR CG2 . 51672 1
239 . 1 . 1 28 28 TYR H H 1 8.19 0.02 . 1 . . . . . 28 TYR H . 51672 1
240 . 1 . 1 28 28 TYR HA H 1 4.58 0.02 . 1 . . . . . 28 TYR HA . 51672 1
241 . 1 . 1 28 28 TYR HB2 H 1 3.07 0.02 . 2 . . . . . 28 TYR HB2 . 51672 1
242 . 1 . 1 28 28 TYR HB3 H 1 2.97 0.02 . 2 . . . . . 28 TYR HB3 . 51672 1
243 . 1 . 1 28 28 TYR CA C 13 57.9 0.2 . 1 . . . . . 28 TYR CA . 51672 1
244 . 1 . 1 28 28 TYR CB C 13 38.7 0.2 . 1 . . . . . 28 TYR CB . 51672 1
245 . 1 . 1 29 29 ASP H H 1 8.26 0.02 . 1 . . . . . 29 ASP H . 51672 1
246 . 1 . 1 29 29 ASP HA H 1 4.58 0.02 . 1 . . . . . 29 ASP HA . 51672 1
247 . 1 . 1 29 29 ASP HB2 H 1 2.73 0.02 . 2 . . . . . 29 ASP HB2 . 51672 1
248 . 1 . 1 29 29 ASP HB3 H 1 2.67 0.02 . 2 . . . . . 29 ASP HB3 . 51672 1
249 . 1 . 1 29 29 ASP CA C 13 53.9 0.2 . 1 . . . . . 29 ASP CA . 51672 1
250 . 1 . 1 29 29 ASP CB C 13 39.8 0.2 . 1 . . . . . 29 ASP CB . 51672 1
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