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 51840
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'MEF2D wild-type'
_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' . . . 51840 1
2 '2D 1H-1H ROESY' . . . 51840 1
3 '2D 1H-13C HSQC' . . . 51840 1
4 '2D 1H-13C HSQC-TOCSY' . . . 51840 1
5 '2D 1H-15N HSQC' . . . 51840 1
6 '2D 1H-15N HSQC-TOCSY' . . . 51840 1
7 '2D 1H-15N HSQC-ROESY' . . . 51840 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 . . 51840 1
2 $software_2 . . 51840 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 SER HA H 1 4.185 0.020 . 1 . . . . . 1 SER HA . 51840 1
2 . 1 . 1 1 1 SER HB2 H 1 3.999 0.020 . 2 . . . . . 1 SER HB2 . 51840 1
3 . 1 . 1 1 1 SER HB3 H 1 3.950 0.020 . 2 . . . . . 1 SER HB3 . 51840 1
4 . 1 . 1 1 1 SER CA C 13 54.658 0.3 . 1 . . . . . 1 SER CA . 51840 1
5 . 1 . 1 1 1 SER CB C 13 60.455 0.3 . 1 . . . . . 1 SER CB . 51840 1
6 . 1 . 1 2 2 ARG H H 1 8.730 0.020 . 1 . . . . . 2 ARG H . 51840 1
7 . 1 . 1 2 2 ARG HA H 1 4.393 0.020 . 1 . . . . . 2 ARG HA . 51840 1
8 . 1 . 1 2 2 ARG HB2 H 1 1.807 0.020 . 2 . . . . . 2 ARG HB2 . 51840 1
9 . 1 . 1 2 2 ARG HB3 H 1 1.759 0.020 . 2 . . . . . 2 ARG HB3 . 51840 1
10 . 1 . 1 2 2 ARG HG2 H 1 1.621 0.020 . 1 . . . . . 2 ARG HG2 . 51840 1
11 . 1 . 1 2 2 ARG HG3 H 1 1.621 0.020 . 1 . . . . . 2 ARG HG3 . 51840 1
12 . 1 . 1 2 2 ARG HD2 H 1 3.191 0.020 . 1 . . . . . 2 ARG HD2 . 51840 1
13 . 1 . 1 2 2 ARG HD3 H 1 3.191 0.020 . 1 . . . . . 2 ARG HD3 . 51840 1
14 . 1 . 1 2 2 ARG HE H 1 7.200 0.020 . 1 . . . . . 2 ARG HE . 51840 1
15 . 1 . 1 2 2 ARG CA C 13 53.479 0.3 . 1 . . . . . 2 ARG CA . 51840 1
16 . 1 . 1 2 2 ARG CB C 13 28.441 0.3 . 1 . . . . . 2 ARG CB . 51840 1
17 . 1 . 1 3 3 LYS H H 1 8.535 0.020 . 1 . . . . . 3 LYS H . 51840 1
18 . 1 . 1 3 3 LYS HA H 1 4.558 0.020 . 1 . . . . . 3 LYS HA . 51840 1
19 . 1 . 1 3 3 LYS HB2 H 1 1.832 0.020 . 2 . . . . . 3 LYS HB2 . 51840 1
20 . 1 . 1 3 3 LYS HB3 H 1 1.711 0.020 . 2 . . . . . 3 LYS HB3 . 51840 1
21 . 1 . 1 3 3 LYS HG2 H 1 1.481 0.020 . 1 . . . . . 3 LYS HG2 . 51840 1
22 . 1 . 1 3 3 LYS HG3 H 1 1.481 0.020 . 1 . . . . . 3 LYS HG3 . 51840 1
23 . 1 . 1 3 3 LYS CA C 13 51.808 0.3 . 1 . . . . . 3 LYS CA . 51840 1
24 . 1 . 1 3 3 LYS CB C 13 29.749 0.3 . 1 . . . . . 3 LYS CB . 51840 1
25 . 1 . 1 4 4 PRO HA H 1 4.396 0.020 . 1 . . . . . 4 PRO HA . 51840 1
26 . 1 . 1 4 4 PRO HB2 H 1 2.264 0.020 . 1 . . . . . 4 PRO HB2 . 51840 1
27 . 1 . 1 4 4 PRO HB3 H 1 2.264 0.020 . 1 . . . . . 4 PRO HB3 . 51840 1
28 . 1 . 1 4 4 PRO HG2 H 1 2.006 0.020 . 2 . . . . . 4 PRO HG2 . 51840 1
29 . 1 . 1 4 4 PRO HG3 H 1 1.849 0.020 . 2 . . . . . 4 PRO HG3 . 51840 1
30 . 1 . 1 4 4 PRO HD2 H 1 3.842 0.020 . 2 . . . . . 4 PRO HD2 . 51840 1
31 . 1 . 1 4 4 PRO HD3 H 1 3.649 0.020 . 2 . . . . . 4 PRO HD3 . 51840 1
32 . 1 . 1 4 4 PRO CA C 13 60.562 0.3 . 1 . . . . . 4 PRO CA . 51840 1
33 . 1 . 1 4 4 PRO CB C 13 29.471 0.3 . 1 . . . . . 4 PRO CB . 51840 1
34 . 1 . 1 4 4 PRO CG C 13 24.744 0.3 . 1 . . . . . 4 PRO CG . 51840 1
35 . 1 . 1 4 4 PRO CD C 13 48.041 0.3 . 1 . . . . . 4 PRO CD . 51840 1
36 . 1 . 1 5 5 ASP H H 1 8.466 0.020 . 1 . . . . . 5 ASP H . 51840 1
37 . 1 . 1 5 5 ASP HA H 1 4.636 0.020 . 1 . . . . . 5 ASP HA . 51840 1
38 . 1 . 1 5 5 ASP HB2 H 1 2.804 0.020 . 2 . . . . . 5 ASP HB2 . 51840 1
39 . 1 . 1 5 5 ASP HB3 H 1 2.666 0.020 . 2 . . . . . 5 ASP HB3 . 51840 1
40 . 1 . 1 5 5 ASP CA C 13 50.855 0.3 . 1 . . . . . 5 ASP CA . 51840 1
41 . 1 . 1 5 5 ASP CB C 13 37.319 0.3 . 1 . . . . . 5 ASP CB . 51840 1
42 . 1 . 1 6 6 LEU H H 1 8.234 0.020 . 1 . . . . . 6 LEU H . 51840 1
43 . 1 . 1 6 6 LEU HA H 1 4.266 0.020 . 1 . . . . . 6 LEU HA . 51840 1
44 . 1 . 1 6 6 LEU HB2 H 1 1.582 0.020 . 1 . . . . . 6 LEU HB2 . 51840 1
45 . 1 . 1 6 6 LEU HB3 H 1 1.582 0.020 . 1 . . . . . 6 LEU HB3 . 51840 1
46 . 1 . 1 6 6 LEU HD11 H 1 0.873 0.020 . 1 . . . . . 6 LEU HD1 . 51840 1
47 . 1 . 1 6 6 LEU HD12 H 1 0.873 0.020 . 1 . . . . . 6 LEU HD1 . 51840 1
48 . 1 . 1 6 6 LEU HD13 H 1 0.873 0.020 . 1 . . . . . 6 LEU HD1 . 51840 1
49 . 1 . 1 6 6 LEU HD21 H 1 0.873 0.020 . 1 . . . . . 6 LEU HD2 . 51840 1
50 . 1 . 1 6 6 LEU HD22 H 1 0.873 0.020 . 1 . . . . . 6 LEU HD2 . 51840 1
51 . 1 . 1 6 6 LEU HD23 H 1 0.873 0.020 . 1 . . . . . 6 LEU HD2 . 51840 1
52 . 1 . 1 6 6 LEU CA C 13 52.856 0.3 . 1 . . . . . 6 LEU CA . 51840 1
53 . 1 . 1 6 6 LEU CB C 13 39.621 0.3 . 1 . . . . . 6 LEU CB . 51840 1
54 . 1 . 1 6 6 LEU N N 15 122.700 0.3 . 1 . . . . . 6 LEU N . 51840 1
55 . 1 . 1 7 7 ARG H H 1 8.297 0.020 . 1 . . . . . 7 ARG H . 51840 1
56 . 1 . 1 7 7 ARG HA H 1 4.281 0.020 . 1 . . . . . 7 ARG HA . 51840 1
57 . 1 . 1 7 7 ARG HB2 H 1 1.789 0.020 . 1 . . . . . 7 ARG HB2 . 51840 1
58 . 1 . 1 7 7 ARG HB3 H 1 1.789 0.020 . 1 . . . . . 7 ARG HB3 . 51840 1
59 . 1 . 1 7 7 ARG HG2 H 1 1.634 0.020 . 2 . . . . . 7 ARG HG2 . 51840 1
60 . 1 . 1 7 7 ARG HG3 H 1 1.561 0.020 . 2 . . . . . 7 ARG HG3 . 51840 1
61 . 1 . 1 7 7 ARG HD2 H 1 3.181 0.020 . 1 . . . . . 7 ARG HD2 . 51840 1
62 . 1 . 1 7 7 ARG HD3 H 1 3.181 0.020 . 1 . . . . . 7 ARG HD3 . 51840 1
63 . 1 . 1 7 7 ARG HE H 1 7.325 0.020 . 1 . . . . . 7 ARG HE . 51840 1
64 . 1 . 1 7 7 ARG CA C 13 53.775 0.3 . 1 . . . . . 7 ARG CA . 51840 1
65 . 1 . 1 7 7 ARG CB C 13 27.967 0.3 . 1 . . . . . 7 ARG CB . 51840 1
66 . 1 . 1 8 8 VAL H H 1 8.108 0.020 . 1 . . . . . 8 VAL H . 51840 1
67 . 1 . 1 8 8 VAL HA H 1 4.070 0.020 . 1 . . . . . 8 VAL HA . 51840 1
68 . 1 . 1 8 8 VAL HB H 1 2.026 0.020 . 1 . . . . . 8 VAL HB . 51840 1
69 . 1 . 1 8 8 VAL HG11 H 1 0.899 0.020 . 1 . . . . . 8 VAL HG1 . 51840 1
70 . 1 . 1 8 8 VAL HG12 H 1 0.899 0.020 . 1 . . . . . 8 VAL HG1 . 51840 1
71 . 1 . 1 8 8 VAL HG13 H 1 0.899 0.020 . 1 . . . . . 8 VAL HG1 . 51840 1
72 . 1 . 1 8 8 VAL HG21 H 1 0.899 0.020 . 1 . . . . . 8 VAL HG2 . 51840 1
73 . 1 . 1 8 8 VAL HG22 H 1 0.899 0.020 . 1 . . . . . 8 VAL HG2 . 51840 1
74 . 1 . 1 8 8 VAL HG23 H 1 0.899 0.020 . 1 . . . . . 8 VAL HG2 . 51840 1
75 . 1 . 1 8 8 VAL CA C 13 59.848 0.3 . 1 . . . . . 8 VAL CA . 51840 1
76 . 1 . 1 8 8 VAL CB C 13 30.098 0.3 . 1 . . . . . 8 VAL CB . 51840 1
77 . 1 . 1 9 9 ILE H H 1 8.322 0.020 . 1 . . . . . 9 ILE H . 51840 1
78 . 1 . 1 9 9 ILE HA H 1 4.237 0.020 . 1 . . . . . 9 ILE HA . 51840 1
79 . 1 . 1 9 9 ILE HB H 1 1.877 0.020 . 1 . . . . . 9 ILE HB . 51840 1
80 . 1 . 1 9 9 ILE HD11 H 1 0.894 0.020 . 1 . . . . . 9 ILE HD1 . 51840 1
81 . 1 . 1 9 9 ILE HD12 H 1 0.894 0.020 . 1 . . . . . 9 ILE HD1 . 51840 1
82 . 1 . 1 9 9 ILE HD13 H 1 0.894 0.020 . 1 . . . . . 9 ILE HD1 . 51840 1
83 . 1 . 1 9 9 ILE CA C 13 58.527 0.3 . 1 . . . . . 9 ILE CA . 51840 1
84 . 1 . 1 9 9 ILE CB C 13 35.850 0.3 . 1 . . . . . 9 ILE CB . 51840 1
85 . 1 . 1 10 10 THR H H 1 8.246 0.020 . 1 . . . . . 10 THR H . 51840 1
86 . 1 . 1 10 10 THR HA H 1 4.365 0.020 . 1 . . . . . 10 THR HA . 51840 1
87 . 1 . 1 10 10 THR HB H 1 4.257 0.020 . 1 . . . . . 10 THR HB . 51840 1
88 . 1 . 1 10 10 THR HG21 H 1 1.196 0.020 . 1 . . . . . 10 THR HG2 . 51840 1
89 . 1 . 1 10 10 THR HG22 H 1 1.196 0.020 . 1 . . . . . 10 THR HG2 . 51840 1
90 . 1 . 1 10 10 THR HG23 H 1 1.196 0.020 . 1 . . . . . 10 THR HG2 . 51840 1
91 . 1 . 1 10 10 THR CA C 13 59.234 0.3 . 1 . . . . . 10 THR CA . 51840 1
92 . 1 . 1 10 10 THR CB C 13 67.192 0.3 . 1 . . . . . 10 THR CB . 51840 1
93 . 1 . 1 11 11 SER H H 1 8.308 0.020 . 1 . . . . . 11 SER H . 51840 1
94 . 1 . 1 11 11 SER HA H 1 4.447 0.020 . 1 . . . . . 11 SER HA . 51840 1
95 . 1 . 1 11 11 SER HB2 H 1 3.914 0.020 . 2 . . . . . 11 SER HB2 . 51840 1
96 . 1 . 1 11 11 SER HB3 H 1 3.849 0.020 . 2 . . . . . 11 SER HB3 . 51840 1
97 . 1 . 1 11 11 SER CA C 13 55.779 0.3 . 1 . . . . . 11 SER CA . 51840 1
98 . 1 . 1 11 11 SER CB C 13 61.220 0.3 . 1 . . . . . 11 SER CB . 51840 1
99 . 1 . 1 12 12 GLN H H 1 8.444 0.020 . 1 . . . . . 12 GLN H . 51840 1
100 . 1 . 1 12 12 GLN HA H 1 4.323 0.020 . 1 . . . . . 12 GLN HA . 51840 1
101 . 1 . 1 12 12 GLN HB2 H 1 2.128 0.020 . 2 . . . . . 12 GLN HB2 . 51840 1
102 . 1 . 1 12 12 GLN HB3 H 1 1.954 0.020 . 2 . . . . . 12 GLN HB3 . 51840 1
103 . 1 . 1 12 12 GLN HG2 H 1 2.372 0.020 . 1 . . . . . 12 GLN HG2 . 51840 1
104 . 1 . 1 12 12 GLN HG3 H 1 2.372 0.020 . 1 . . . . . 12 GLN HG3 . 51840 1
105 . 1 . 1 12 12 GLN CA C 13 53.395 0.3 . 1 . . . . . 12 GLN CA . 51840 1
106 . 1 . 1 12 12 GLN CB C 13 26.601 0.3 . 1 . . . . . 12 GLN CB . 51840 1
107 . 1 . 1 13 13 ALA H H 1 8.277 0.020 . 1 . . . . . 13 ALA H . 51840 1
108 . 1 . 1 13 13 ALA HA H 1 4.286 0.020 . 1 . . . . . 13 ALA HA . 51840 1
109 . 1 . 1 13 13 ALA HB1 H 1 1.386 0.020 . 1 . . . . . 13 ALA HB . 51840 1
110 . 1 . 1 13 13 ALA HB2 H 1 1.386 0.020 . 1 . . . . . 13 ALA HB . 51840 1
111 . 1 . 1 13 13 ALA HB3 H 1 1.386 0.020 . 1 . . . . . 13 ALA HB . 51840 1
112 . 1 . 1 13 13 ALA CA C 13 50.333 0.3 . 1 . . . . . 13 ALA CA . 51840 1
113 . 1 . 1 13 13 ALA CB C 13 16.530 0.3 . 1 . . . . . 13 ALA CB . 51840 1
114 . 1 . 1 14 14 GLY H H 1 8.381 0.020 . 1 . . . . . 14 GLY H . 51840 1
115 . 1 . 1 14 14 GLY HA2 H 1 3.937 0.020 . 1 . . . . . 14 GLY HA2 . 51840 1
116 . 1 . 1 14 14 GLY HA3 H 1 3.937 0.020 . 1 . . . . . 14 GLY HA3 . 51840 1
117 . 1 . 1 14 14 GLY CA C 13 42.932 0.3 . 1 . . . . . 14 GLY CA . 51840 1
118 . 1 . 1 15 15 LYS H H 1 8.149 0.020 . 1 . . . . . 15 LYS H . 51840 1
119 . 1 . 1 15 15 LYS HA H 1 4.308 0.020 . 1 . . . . . 15 LYS HA . 51840 1
120 . 1 . 1 15 15 LYS HB2 H 1 1.864 0.020 . 2 . . . . . 15 LYS HB2 . 51840 1
121 . 1 . 1 15 15 LYS HB3 H 1 1.766 0.020 . 2 . . . . . 15 LYS HB3 . 51840 1
122 . 1 . 1 15 15 LYS HG2 H 1 1.448 0.020 . 2 . . . . . 15 LYS HG2 . 51840 1
123 . 1 . 1 15 15 LYS HG3 H 1 1.384 0.020 . 2 . . . . . 15 LYS HG3 . 51840 1
124 . 1 . 1 15 15 LYS HD2 H 1 1.661 0.020 . 1 . . . . . 15 LYS HD2 . 51840 1
125 . 1 . 1 15 15 LYS HD3 H 1 1.661 0.020 . 1 . . . . . 15 LYS HD3 . 51840 1
126 . 1 . 1 15 15 LYS CA C 13 53.964 0.3 . 1 . . . . . 15 LYS CA . 51840 1
127 . 1 . 1 15 15 LYS CB C 13 30.309 0.3 . 1 . . . . . 15 LYS CB . 51840 1
128 . 1 . 1 16 16 GLY H H 1 8.452 0.020 . 1 . . . . . 16 GLY H . 51840 1
129 . 1 . 1 16 16 GLY HA2 H 1 3.927 0.020 . 1 . . . . . 16 GLY HA2 . 51840 1
130 . 1 . 1 16 16 GLY HA3 H 1 3.927 0.020 . 1 . . . . . 16 GLY HA3 . 51840 1
131 . 1 . 1 16 16 GLY CA C 13 42.817 0.3 . 1 . . . . . 16 GLY CA . 51840 1
132 . 1 . 1 17 17 LEU H H 1 8.041 0.020 . 1 . . . . . 17 LEU H . 51840 1
133 . 1 . 1 17 17 LEU HA H 1 4.289 0.020 . 1 . . . . . 17 LEU HA . 51840 1
134 . 1 . 1 17 17 LEU HB2 H 1 1.573 0.020 . 2 . . . . . 17 LEU HB2 . 51840 1
135 . 1 . 1 17 17 LEU HB3 H 1 1.520 0.020 . 2 . . . . . 17 LEU HB3 . 51840 1
136 . 1 . 1 17 17 LEU HD11 H 1 0.887 0.020 . 2 . . . . . 17 LEU HD1 . 51840 1
137 . 1 . 1 17 17 LEU HD12 H 1 0.887 0.020 . 2 . . . . . 17 LEU HD1 . 51840 1
138 . 1 . 1 17 17 LEU HD13 H 1 0.887 0.020 . 2 . . . . . 17 LEU HD1 . 51840 1
139 . 1 . 1 17 17 LEU HD21 H 1 0.833 0.020 . 2 . . . . . 17 LEU HD2 . 51840 1
140 . 1 . 1 17 17 LEU HD22 H 1 0.833 0.020 . 2 . . . . . 17 LEU HD2 . 51840 1
141 . 1 . 1 17 17 LEU HD23 H 1 0.833 0.020 . 2 . . . . . 17 LEU HD2 . 51840 1
142 . 1 . 1 17 17 LEU CA C 13 52.662 0.3 . 1 . . . . . 17 LEU CA . 51840 1
143 . 1 . 1 17 17 LEU CB C 13 39.708 0.3 . 1 . . . . . 17 LEU CB . 51840 1
144 . 1 . 1 17 17 LEU N N 15 121.404 0.3 . 1 . . . . . 17 LEU N . 51840 1
145 . 1 . 1 18 18 MET H H 1 8.285 0.020 . 1 . . . . . 18 MET H . 51840 1
146 . 1 . 1 18 18 MET HA H 1 4.371 0.020 . 1 . . . . . 18 MET HA . 51840 1
147 . 1 . 1 18 18 MET HB2 H 1 1.945 0.020 . 1 . . . . . 18 MET HB2 . 51840 1
148 . 1 . 1 18 18 MET HB3 H 1 1.945 0.020 . 1 . . . . . 18 MET HB3 . 51840 1
149 . 1 . 1 18 18 MET HG2 H 1 2.519 0.020 . 2 . . . . . 18 MET HG2 . 51840 1
150 . 1 . 1 18 18 MET HG3 H 1 2.438 0.020 . 2 . . . . . 18 MET HG3 . 51840 1
151 . 1 . 1 18 18 MET CA C 13 52.857 0.3 . 1 . . . . . 18 MET CA . 51840 1
152 . 1 . 1 18 18 MET CB C 13 30.045 0.3 . 1 . . . . . 18 MET CB . 51840 1
153 . 1 . 1 19 19 HIS H H 1 8.437 0.020 . 1 . . . . . 19 HIS H . 51840 1
154 . 1 . 1 19 19 HIS HA H 1 4.655 0.020 . 1 . . . . . 19 HIS HA . 51840 1
155 . 1 . 1 19 19 HIS HB2 H 1 3.220 0.020 . 2 . . . . . 19 HIS HB2 . 51840 1
156 . 1 . 1 19 19 HIS HB3 H 1 3.116 0.020 . 2 . . . . . 19 HIS HB3 . 51840 1
157 . 1 . 1 19 19 HIS CA C 13 52.502 0.3 . 1 . . . . . 19 HIS CA . 51840 1
158 . 1 . 1 19 19 HIS CB C 13 26.337 0.3 . 1 . . . . . 19 HIS CB . 51840 1
159 . 1 . 1 20 20 HIS H H 1 8.589 0.020 . 1 . . . . . 20 HIS H . 51840 1
160 . 1 . 1 20 20 HIS HA H 1 4.682 0.020 . 1 . . . . . 20 HIS HA . 51840 1
161 . 1 . 1 20 20 HIS HB2 H 1 3.252 0.020 . 2 . . . . . 20 HIS HB2 . 51840 1
162 . 1 . 1 20 20 HIS HB3 H 1 3.161 0.020 . 2 . . . . . 20 HIS HB3 . 51840 1
163 . 1 . 1 20 20 HIS CA C 13 52.739 0.3 . 1 . . . . . 20 HIS CA . 51840 1
164 . 1 . 1 20 20 HIS CB C 13 26.480 0.3 . 1 . . . . . 20 HIS CB . 51840 1
165 . 1 . 1 21 21 LEU H H 1 8.474 0.020 . 1 . . . . . 21 LEU H . 51840 1
166 . 1 . 1 21 21 LEU HA H 1 4.391 0.020 . 1 . . . . . 21 LEU HA . 51840 1
167 . 1 . 1 21 21 LEU HB2 H 1 1.647 0.020 . 2 . . . . . 21 LEU HB2 . 51840 1
168 . 1 . 1 21 21 LEU HB3 H 1 1.578 0.020 . 2 . . . . . 21 LEU HB3 . 51840 1
169 . 1 . 1 21 21 LEU HD11 H 1 0.904 0.020 . 2 . . . . . 21 LEU HD1 . 51840 1
170 . 1 . 1 21 21 LEU HD12 H 1 0.904 0.020 . 2 . . . . . 21 LEU HD1 . 51840 1
171 . 1 . 1 21 21 LEU HD13 H 1 0.904 0.020 . 2 . . . . . 21 LEU HD1 . 51840 1
172 . 1 . 1 21 21 LEU HD21 H 1 0.859 0.020 . 2 . . . . . 21 LEU HD2 . 51840 1
173 . 1 . 1 21 21 LEU HD22 H 1 0.859 0.020 . 2 . . . . . 21 LEU HD2 . 51840 1
174 . 1 . 1 21 21 LEU HD23 H 1 0.859 0.020 . 2 . . . . . 21 LEU HD2 . 51840 1
175 . 1 . 1 21 21 LEU CA C 13 52.848 0.3 . 1 . . . . . 21 LEU CA . 51840 1
176 . 1 . 1 21 21 LEU CB C 13 39.826 0.3 . 1 . . . . . 21 LEU CB . 51840 1
177 . 1 . 1 22 22 THR H H 1 8.200 0.020 . 1 . . . . . 22 THR H . 51840 1
178 . 1 . 1 22 22 THR HA H 1 4.306 0.020 . 1 . . . . . 22 THR HA . 51840 1
179 . 1 . 1 22 22 THR HB H 1 4.221 0.020 . 1 . . . . . 22 THR HB . 51840 1
180 . 1 . 1 22 22 THR HG21 H 1 1.186 0.020 . 1 . . . . . 22 THR HG2 . 51840 1
181 . 1 . 1 22 22 THR HG22 H 1 1.186 0.020 . 1 . . . . . 22 THR HG2 . 51840 1
182 . 1 . 1 22 22 THR HG23 H 1 1.186 0.020 . 1 . . . . . 22 THR HG2 . 51840 1
183 . 1 . 1 22 22 THR CA C 13 59.344 0.3 . 1 . . . . . 22 THR CA . 51840 1
184 . 1 . 1 22 22 THR CB C 13 67.141 0.3 . 1 . . . . . 22 THR CB . 51840 1
185 . 1 . 1 23 23 GLU H H 1 8.391 0.020 . 1 . . . . . 23 GLU H . 51840 1
186 . 1 . 1 23 23 GLU HA H 1 4.326 0.020 . 1 . . . . . 23 GLU HA . 51840 1
187 . 1 . 1 23 23 GLU HB2 H 1 2.046 0.020 . 2 . . . . . 23 GLU HB2 . 51840 1
188 . 1 . 1 23 23 GLU HB3 H 1 1.932 0.020 . 2 . . . . . 23 GLU HB3 . 51840 1
189 . 1 . 1 23 23 GLU HG2 H 1 2.367 0.020 . 1 . . . . . 23 GLU HG2 . 51840 1
190 . 1 . 1 23 23 GLU HG3 H 1 2.367 0.020 . 1 . . . . . 23 GLU HG3 . 51840 1
191 . 1 . 1 23 23 GLU CA C 13 53.360 0.3 . 1 . . . . . 23 GLU CA . 51840 1
192 . 1 . 1 23 23 GLU CB C 13 26.636 0.3 . 1 . . . . . 23 GLU CB . 51840 1
193 . 1 . 1 24 24 ASP H H 1 8.368 0.020 . 1 . . . . . 24 ASP H . 51840 1
194 . 1 . 1 24 24 ASP HA H 1 4.580 0.020 . 1 . . . . . 24 ASP HA . 51840 1
195 . 1 . 1 24 24 ASP HB2 H 1 2.720 0.020 . 1 . . . . . 24 ASP HB2 . 51840 1
196 . 1 . 1 24 24 ASP HB3 H 1 2.720 0.020 . 1 . . . . . 24 ASP HB3 . 51840 1
197 . 1 . 1 24 24 ASP CA C 13 51.017 0.3 . 1 . . . . . 24 ASP CA . 51840 1
198 . 1 . 1 24 24 ASP CB C 13 37.055 0.3 . 1 . . . . . 24 ASP CB . 51840 1
199 . 1 . 1 25 25 HIS H H 1 8.472 0.020 . 1 . . . . . 25 HIS H . 51840 1
200 . 1 . 1 25 25 HIS HA H 1 4.632 0.020 . 1 . . . . . 25 HIS HA . 51840 1
201 . 1 . 1 25 25 HIS HB2 H 1 3.291 0.020 . 2 . . . . . 25 HIS HB2 . 51840 1
202 . 1 . 1 25 25 HIS HB3 H 1 3.184 0.020 . 2 . . . . . 25 HIS HB3 . 51840 1
203 . 1 . 1 25 25 HIS CA C 13 53.005 0.3 . 1 . . . . . 25 HIS CA . 51840 1
204 . 1 . 1 25 25 HIS CB C 13 26.028 0.3 . 1 . . . . . 25 HIS CB . 51840 1
205 . 1 . 1 26 26 LEU H H 1 8.239 0.020 . 1 . . . . . 26 LEU H . 51840 1
206 . 1 . 1 26 26 LEU HA H 1 4.295 0.020 . 1 . . . . . 26 LEU HA . 51840 1
207 . 1 . 1 26 26 LEU HB2 H 1 1.654 0.020 . 2 . . . . . 26 LEU HB2 . 51840 1
208 . 1 . 1 26 26 LEU HB3 H 1 1.515 0.020 . 2 . . . . . 26 LEU HB3 . 51840 1
209 . 1 . 1 26 26 LEU HD11 H 1 0.906 0.020 . 2 . . . . . 26 LEU HD1 . 51840 1
210 . 1 . 1 26 26 LEU HD12 H 1 0.906 0.020 . 2 . . . . . 26 LEU HD1 . 51840 1
211 . 1 . 1 26 26 LEU HD13 H 1 0.906 0.020 . 2 . . . . . 26 LEU HD1 . 51840 1
212 . 1 . 1 26 26 LEU HD21 H 1 0.846 0.020 . 2 . . . . . 26 LEU HD2 . 51840 1
213 . 1 . 1 26 26 LEU HD22 H 1 0.846 0.020 . 2 . . . . . 26 LEU HD2 . 51840 1
214 . 1 . 1 26 26 LEU HD23 H 1 0.846 0.020 . 2 . . . . . 26 LEU HD2 . 51840 1
215 . 1 . 1 26 26 LEU CA C 13 53.161 0.3 . 1 . . . . . 26 LEU CA . 51840 1
216 . 1 . 1 26 26 LEU CB C 13 39.716 0.3 . 1 . . . . . 26 LEU CB . 51840 1
217 . 1 . 1 26 26 LEU N N 15 123.716 0.3 . 1 . . . . . 26 LEU N . 51840 1
218 . 1 . 1 27 27 ASP H H 1 8.454 0.020 . 1 . . . . . 27 ASP H . 51840 1
219 . 1 . 1 27 27 ASP HA H 1 4.646 0.020 . 1 . . . . . 27 ASP HA . 51840 1
220 . 1 . 1 27 27 ASP HB2 H 1 2.867 0.020 . 2 . . . . . 27 ASP HB2 . 51840 1
221 . 1 . 1 27 27 ASP HB3 H 1 2.715 0.020 . 2 . . . . . 27 ASP HB3 . 51840 1
222 . 1 . 1 27 27 ASP CA C 13 50.992 0.3 . 1 . . . . . 27 ASP CA . 51840 1
223 . 1 . 1 27 27 ASP CB C 13 36.703 0.3 . 1 . . . . . 27 ASP CB . 51840 1
224 . 1 . 1 28 28 LEU H H 1 8.225 0.020 . 1 . . . . . 28 LEU H . 51840 1
225 . 1 . 1 28 28 LEU HA H 1 4.275 0.020 . 1 . . . . . 28 LEU HA . 51840 1
226 . 1 . 1 28 28 LEU HB2 H 1 1.603 0.020 . 1 . . . . . 28 LEU HB2 . 51840 1
227 . 1 . 1 28 28 LEU HB3 H 1 1.603 0.020 . 1 . . . . . 28 LEU HB3 . 51840 1
228 . 1 . 1 28 28 LEU HD11 H 1 0.887 0.020 . 2 . . . . . 28 LEU HD1 . 51840 1
229 . 1 . 1 28 28 LEU HD12 H 1 0.887 0.020 . 2 . . . . . 28 LEU HD1 . 51840 1
230 . 1 . 1 28 28 LEU HD13 H 1 0.887 0.020 . 2 . . . . . 28 LEU HD1 . 51840 1
231 . 1 . 1 28 28 LEU HD21 H 1 0.823 0.020 . 2 . . . . . 28 LEU HD2 . 51840 1
232 . 1 . 1 28 28 LEU HD22 H 1 0.823 0.020 . 2 . . . . . 28 LEU HD2 . 51840 1
233 . 1 . 1 28 28 LEU HD23 H 1 0.823 0.020 . 2 . . . . . 28 LEU HD2 . 51840 1
234 . 1 . 1 28 28 LEU CA C 13 53.325 0.3 . 1 . . . . . 28 LEU CA . 51840 1
235 . 1 . 1 28 28 LEU CB C 13 39.525 0.3 . 1 . . . . . 28 LEU CB . 51840 1
236 . 1 . 1 28 28 LEU N N 15 122.955 0.3 . 1 . . . . . 28 LEU N . 51840 1
237 . 1 . 1 29 29 ASN H H 1 8.258 0.020 . 1 . . . . . 29 ASN H . 51840 1
238 . 1 . 1 29 29 ASN HA H 1 4.630 0.020 . 1 . . . . . 29 ASN HA . 51840 1
239 . 1 . 1 29 29 ASN HB2 H 1 2.814 0.020 . 2 . . . . . 29 ASN HB2 . 51840 1
240 . 1 . 1 29 29 ASN HB3 H 1 2.754 0.020 . 2 . . . . . 29 ASN HB3 . 51840 1
241 . 1 . 1 29 29 ASN HD21 H 1 7.644 0.020 . 1 . . . . . 29 ASN HD21 . 51840 1
242 . 1 . 1 29 29 ASN HD22 H 1 6.914 0.020 . 1 . . . . . 29 ASN HD22 . 51840 1
243 . 1 . 1 29 29 ASN CA C 13 51.070 0.3 . 1 . . . . . 29 ASN CA . 51840 1
244 . 1 . 1 29 29 ASN CB C 13 36.233 0.3 . 1 . . . . . 29 ASN CB . 51840 1
245 . 1 . 1 30 30 ASN H H 1 8.401 0.020 . 1 . . . . . 30 ASN H . 51840 1
246 . 1 . 1 30 30 ASN HA H 1 4.650 0.020 . 1 . . . . . 30 ASN HA . 51840 1
247 . 1 . 1 30 30 ASN HB2 H 1 2.835 0.020 . 2 . . . . . 30 ASN HB2 . 51840 1
248 . 1 . 1 30 30 ASN HB3 H 1 2.775 0.020 . 2 . . . . . 30 ASN HB3 . 51840 1
249 . 1 . 1 30 30 ASN HD21 H 1 7.626 0.020 . 1 . . . . . 30 ASN HD21 . 51840 1
250 . 1 . 1 30 30 ASN HD22 H 1 6.932 0.020 . 1 . . . . . 30 ASN HD22 . 51840 1
251 . 1 . 1 30 30 ASN CA C 13 50.993 0.3 . 1 . . . . . 30 ASN CA . 51840 1
252 . 1 . 1 30 30 ASN CB C 13 36.094 0.3 . 1 . . . . . 30 ASN CB . 51840 1
253 . 1 . 1 31 31 ALA H H 1 8.206 0.020 . 1 . . . . . 31 ALA H . 51840 1
254 . 1 . 1 31 31 ALA HA H 1 4.301 0.020 . 1 . . . . . 31 ALA HA . 51840 1
255 . 1 . 1 31 31 ALA HB1 H 1 1.394 0.020 . 1 . . . . . 31 ALA HB . 51840 1
256 . 1 . 1 31 31 ALA HB2 H 1 1.394 0.020 . 1 . . . . . 31 ALA HB . 51840 1
257 . 1 . 1 31 31 ALA HB3 H 1 1.394 0.020 . 1 . . . . . 31 ALA HB . 51840 1
258 . 1 . 1 31 31 ALA CA C 13 50.614 0.3 . 1 . . . . . 31 ALA CA . 51840 1
259 . 1 . 1 31 31 ALA CB C 13 16.272 0.3 . 1 . . . . . 31 ALA CB . 51840 1
260 . 1 . 1 32 32 GLN H H 1 8.240 0.020 . 1 . . . . . 32 GLN H . 51840 1
261 . 1 . 1 32 32 GLN HA H 1 4.326 0.020 . 1 . . . . . 32 GLN HA . 51840 1
262 . 1 . 1 32 32 GLN HB2 H 1 2.085 0.020 . 2 . . . . . 32 GLN HB2 . 51840 1
263 . 1 . 1 32 32 GLN HB3 H 1 1.995 0.020 . 2 . . . . . 32 GLN HB3 . 51840 1
264 . 1 . 1 32 32 GLN HG2 H 1 2.355 0.020 . 1 . . . . . 32 GLN HG2 . 51840 1
265 . 1 . 1 32 32 GLN HG3 H 1 2.355 0.020 . 1 . . . . . 32 GLN HG3 . 51840 1
266 . 1 . 1 32 32 GLN CA C 13 53.625 0.3 . 1 . . . . . 32 GLN CA . 51840 1
267 . 1 . 1 32 32 GLN CB C 13 26.526 0.3 . 1 . . . . . 32 GLN CB . 51840 1
268 . 1 . 1 33 33 ARG H H 1 8.207 0.020 . 1 . . . . . 33 ARG H . 51840 1
269 . 1 . 1 33 33 ARG HA H 1 4.290 0.020 . 1 . . . . . 33 ARG HA . 51840 1
270 . 1 . 1 33 33 ARG HB2 H 1 1.844 0.020 . 2 . . . . . 33 ARG HB2 . 51840 1
271 . 1 . 1 33 33 ARG HB3 H 1 1.763 0.020 . 2 . . . . . 33 ARG HB3 . 51840 1
272 . 1 . 1 33 33 ARG HG2 H 1 1.610 0.020 . 1 . . . . . 33 ARG HG2 . 51840 1
273 . 1 . 1 33 33 ARG HG3 H 1 1.610 0.020 . 1 . . . . . 33 ARG HG3 . 51840 1
274 . 1 . 1 33 33 ARG HD2 H 1 3.189 0.020 . 1 . . . . . 33 ARG HD2 . 51840 1
275 . 1 . 1 33 33 ARG HD3 H 1 3.189 0.020 . 1 . . . . . 33 ARG HD3 . 51840 1
276 . 1 . 1 33 33 ARG HE H 1 7.184 0.020 . 1 . . . . . 33 ARG HE . 51840 1
277 . 1 . 1 33 33 ARG CA C 13 53.613 0.3 . 1 . . . . . 33 ARG CA . 51840 1
278 . 1 . 1 33 33 ARG CB C 13 27.938 0.3 . 1 . . . . . 33 ARG CB . 51840 1
279 . 1 . 1 34 34 LEU H H 1 8.252 0.020 . 1 . . . . . 34 LEU H . 51840 1
280 . 1 . 1 34 34 LEU HA H 1 4.307 0.020 . 1 . . . . . 34 LEU HA . 51840 1
281 . 1 . 1 34 34 LEU HB2 H 1 1.609 0.020 . 1 . . . . . 34 LEU HB2 . 51840 1
282 . 1 . 1 34 34 LEU HB3 H 1 1.609 0.020 . 1 . . . . . 34 LEU HB3 . 51840 1
283 . 1 . 1 34 34 LEU HD11 H 1 0.908 0.020 . 2 . . . . . 34 LEU HD1 . 51840 1
284 . 1 . 1 34 34 LEU HD12 H 1 0.908 0.020 . 2 . . . . . 34 LEU HD1 . 51840 1
285 . 1 . 1 34 34 LEU HD13 H 1 0.908 0.020 . 2 . . . . . 34 LEU HD1 . 51840 1
286 . 1 . 1 34 34 LEU HD21 H 1 0.859 0.020 . 2 . . . . . 34 LEU HD2 . 51840 1
287 . 1 . 1 34 34 LEU HD22 H 1 0.859 0.020 . 2 . . . . . 34 LEU HD2 . 51840 1
288 . 1 . 1 34 34 LEU HD23 H 1 0.859 0.020 . 2 . . . . . 34 LEU HD2 . 51840 1
289 . 1 . 1 34 34 LEU CA C 13 52.911 0.3 . 1 . . . . . 34 LEU CA . 51840 1
290 . 1 . 1 34 34 LEU CB C 13 39.898 0.3 . 1 . . . . . 34 LEU CB . 51840 1
291 . 1 . 1 34 34 LEU N N 15 123.128 0.3 . 1 . . . . . 34 LEU N . 51840 1
292 . 1 . 1 35 35 GLY H H 1 8.391 0.020 . 1 . . . . . 35 GLY H . 51840 1
293 . 1 . 1 35 35 GLY HA2 H 1 3.957 0.020 . 1 . . . . . 35 GLY HA2 . 51840 1
294 . 1 . 1 35 35 GLY HA3 H 1 3.957 0.020 . 1 . . . . . 35 GLY HA3 . 51840 1
295 . 1 . 1 35 35 GLY CA C 13 42.744 0.3 . 1 . . . . . 35 GLY CA . 51840 1
296 . 1 . 1 36 36 VAL H H 1 7.915 0.020 . 1 . . . . . 36 VAL H . 51840 1
297 . 1 . 1 36 36 VAL HA H 1 4.224 0.020 . 1 . . . . . 36 VAL HA . 51840 1
298 . 1 . 1 36 36 VAL HB H 1 2.114 0.020 . 1 . . . . . 36 VAL HB . 51840 1
299 . 1 . 1 36 36 VAL HG11 H 1 0.919 0.020 . 1 . . . . . 36 VAL HG1 . 51840 1
300 . 1 . 1 36 36 VAL HG12 H 1 0.919 0.020 . 1 . . . . . 36 VAL HG1 . 51840 1
301 . 1 . 1 36 36 VAL HG13 H 1 0.919 0.020 . 1 . . . . . 36 VAL HG1 . 51840 1
302 . 1 . 1 36 36 VAL HG21 H 1 0.919 0.020 . 1 . . . . . 36 VAL HG2 . 51840 1
303 . 1 . 1 36 36 VAL HG22 H 1 0.919 0.020 . 1 . . . . . 36 VAL HG2 . 51840 1
304 . 1 . 1 36 36 VAL HG23 H 1 0.919 0.020 . 1 . . . . . 36 VAL HG2 . 51840 1
305 . 1 . 1 36 36 VAL CA C 13 59.426 0.3 . 1 . . . . . 36 VAL CA . 51840 1
306 . 1 . 1 36 36 VAL CB C 13 30.440 0.3 . 1 . . . . . 36 VAL CB . 51840 1
307 . 1 . 1 37 37 SER H H 1 8.157 0.020 . 1 . . . . . 37 SER H . 51840 1
308 . 1 . 1 37 37 SER HA H 1 4.348 0.020 . 1 . . . . . 37 SER HA . 51840 1
309 . 1 . 1 37 37 SER HB2 H 1 3.857 0.020 . 1 . . . . . 37 SER HB2 . 51840 1
310 . 1 . 1 37 37 SER HB3 H 1 3.857 0.020 . 1 . . . . . 37 SER HB3 . 51840 1
311 . 1 . 1 37 37 SER CA C 13 56.658 0.3 . 1 . . . . . 37 SER CA . 51840 1
312 . 1 . 1 37 37 SER CB C 13 61.985 0.3 . 1 . . . . . 37 SER CB . 51840 1
stop_
save_