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 52457
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'p53TAD2 bound to FOXO4-DRI'
_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-15N HSQC' . . . 52457 1
2 '2D 1H-13C HSQC' . . . 52457 1
3 '3D CBCA(CO)NH' . . . 52457 1
4 '3D HNCACB' . . . 52457 1
5 '3D HCCH-TOCSY' . . . 52457 1
6 '3D 1H-13C NOESY' . . . 52457 1
7 '3D 1H-15N NOESY' . . . 52457 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 . . 52457 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 4.349 0.000 . . . . . . . 37 S HA . 52457 1
2 . 1 . 1 1 1 SER HB2 H 1 3.763 0.000 . . . . . . . 37 S HB2 . 52457 1
3 . 1 . 1 1 1 SER HB3 H 1 3.819 0.000 . . . . . . . 37 S HB3 . 52457 1
4 . 1 . 1 1 1 SER CA C 13 58.527 0.000 . . . . . . . 37 S CA . 52457 1
5 . 1 . 1 1 1 SER CB C 13 63.729 0.007 . . . . . . . 37 S CB . 52457 1
6 . 1 . 1 2 2 GLN H H 1 8.391 0.000 . . . . . . . 38 Q HN . 52457 1
7 . 1 . 1 2 2 GLN HA H 1 4.242 0.000 . . . . . . . 38 Q HA . 52457 1
8 . 1 . 1 2 2 GLN HB2 H 1 2.042 0.000 . . . . . . . 38 Q HB2 . 52457 1
9 . 1 . 1 2 2 GLN HB3 H 1 1.905 0.000 . . . . . . . 38 Q HB3 . 52457 1
10 . 1 . 1 2 2 GLN HG2 H 1 2.277 0.000 . . . . . . . 38 Q QG . 52457 1
11 . 1 . 1 2 2 GLN HG3 H 1 2.277 0.000 . . . . . . . 38 Q QG . 52457 1
12 . 1 . 1 2 2 GLN CA C 13 56.116 0.000 . . . . . . . 38 Q CA . 52457 1
13 . 1 . 1 2 2 GLN CB C 13 29.369 0.023 . . . . . . . 38 Q CB . 52457 1
14 . 1 . 1 2 2 GLN CG C 13 33.838 0.000 . . . . . . . 38 Q CG . 52457 1
15 . 1 . 1 2 2 GLN N N 15 122.073 0.000 . . . . . . . 38 Q N . 52457 1
16 . 1 . 1 3 3 ALA H H 1 8.209 0.000 . . . . . . . 39 A HN . 52457 1
17 . 1 . 1 3 3 ALA HA H 1 4.198 0.000 . . . . . . . 39 A HA . 52457 1
18 . 1 . 1 3 3 ALA CA C 13 52.730 0.000 . . . . . . . 39 A CA . 52457 1
19 . 1 . 1 3 3 ALA CB C 13 19.206 0.000 . . . . . . . 39 A CB . 52457 1
20 . 1 . 1 3 3 ALA N N 15 124.681 0.000 . . . . . . . 39 A N . 52457 1
21 . 1 . 1 4 4 MET H H 1 8.202 0.000 . . . . . . . 40 M HN . 52457 1
22 . 1 . 1 4 4 MET HA H 1 4.316 0.000 . . . . . . . 40 M HA . 52457 1
23 . 1 . 1 4 4 MET HB2 H 1 2.005 0.000 . . . . . . . 40 M HB2 . 52457 1
24 . 1 . 1 4 4 MET HB3 H 1 1.931 0.000 . . . . . . . 40 M HB3 . 52457 1
25 . 1 . 1 4 4 MET HE1 H 1 1.984 0.000 . . . . . . . 40 M HE# . 52457 1
26 . 1 . 1 4 4 MET HE2 H 1 1.984 0.000 . . . . . . . 40 M HE# . 52457 1
27 . 1 . 1 4 4 MET HE3 H 1 1.984 0.000 . . . . . . . 40 M HE# . 52457 1
28 . 1 . 1 4 4 MET CA C 13 55.834 0.000 . . . . . . . 40 M CA . 52457 1
29 . 1 . 1 4 4 MET CB C 13 32.751 0.003 . . . . . . . 40 M CB . 52457 1
30 . 1 . 1 4 4 MET CE C 13 16.904 0.000 . . . . . . . 40 M CE . 52457 1
31 . 1 . 1 4 4 MET N N 15 118.946 0.000 . . . . . . . 40 M N . 52457 1
32 . 1 . 1 5 5 ASP H H 1 8.136 0.000 . . . . . . . 41 D HN . 52457 1
33 . 1 . 1 5 5 ASP HA H 1 4.360 0.000 . . . . . . . 41 D HA . 52457 1
34 . 1 . 1 5 5 ASP HB2 H 1 2.549 0.000 . . . . . . . 41 D HB2 . 52457 1
35 . 1 . 1 5 5 ASP CA C 13 54.838 0.000 . . . . . . . 41 D CA . 52457 1
36 . 1 . 1 5 5 ASP CB C 13 41.054 0.000 . . . . . . . 41 D CB . 52457 1
37 . 1 . 1 5 5 ASP N N 15 120.648 0.000 . . . . . . . 41 D N . 52457 1
38 . 1 . 1 6 6 ASP H H 1 8.126 0.000 . . . . . . . 42 D HN . 52457 1
39 . 1 . 1 6 6 ASP HA H 1 4.433 0.000 . . . . . . . 42 D HA . 52457 1
40 . 1 . 1 6 6 ASP HB2 H 1 2.549 0.000 . . . . . . . 42 D HB2 . 52457 1
41 . 1 . 1 6 6 ASP CA C 13 54.832 0.000 . . . . . . . 42 D CA . 52457 1
42 . 1 . 1 6 6 ASP CB C 13 41.054 0.000 . . . . . . . 42 D CB . 52457 1
43 . 1 . 1 6 6 ASP N N 15 119.869 0.000 . . . . . . . 42 D N . 52457 1
44 . 1 . 1 7 7 LEU H H 1 7.947 0.000 . . . . . . . 43 L HN . 52457 1
45 . 1 . 1 7 7 LEU HA H 1 4.168 0.000 . . . . . . . 43 L HA . 52457 1
46 . 1 . 1 7 7 LEU HB2 H 1 1.592 0.000 . . . . . . . 43 L HB2 . 52457 1
47 . 1 . 1 7 7 LEU HB3 H 1 1.482 0.000 . . . . . . . 43 L HB3 . 52457 1
48 . 1 . 1 7 7 LEU HG H 1 1.525 0.000 . . . . . . . 43 L HG . 52457 1
49 . 1 . 1 7 7 LEU HD11 H 1 0.805 0.000 . . . . . . . 43 L QD1 . 52457 1
50 . 1 . 1 7 7 LEU HD12 H 1 0.805 0.000 . . . . . . . 43 L QD1 . 52457 1
51 . 1 . 1 7 7 LEU HD13 H 1 0.805 0.000 . . . . . . . 43 L QD1 . 52457 1
52 . 1 . 1 7 7 LEU HD21 H 1 0.759 0.000 . . . . . . . 43 L QD2 . 52457 1
53 . 1 . 1 7 7 LEU HD22 H 1 0.759 0.000 . . . . . . . 43 L QD2 . 52457 1
54 . 1 . 1 7 7 LEU HD23 H 1 0.759 0.000 . . . . . . . 43 L QD2 . 52457 1
55 . 1 . 1 7 7 LEU CA C 13 55.529 0.000 . . . . . . . 43 L CA . 52457 1
56 . 1 . 1 7 7 LEU CB C 13 42.195 0.024 . . . . . . . 43 L CB . 52457 1
57 . 1 . 1 7 7 LEU CG C 13 26.901 0.000 . . . . . . . 43 L CG . 52457 1
58 . 1 . 1 7 7 LEU CD1 C 13 25.029 0.000 . . . . . . . 43 L CD1 . 52457 1
59 . 1 . 1 7 7 LEU N N 15 121.235 0.000 . . . . . . . 43 L N . 52457 1
60 . 1 . 1 8 8 MET H H 1 8.109 0.000 . . . . . . . 44 M HN . 52457 1
61 . 1 . 1 8 8 MET HA H 1 4.370 0.000 . . . . . . . 44 M HA . 52457 1
62 . 1 . 1 8 8 MET HB2 H 1 1.998 0.000 . . . . . . . 44 M HB2 . 52457 1
63 . 1 . 1 8 8 MET HB3 H 1 1.912 0.000 . . . . . . . 44 M HB3 . 52457 1
64 . 1 . 1 8 8 MET HE1 H 1 1.983 0.000 . . . . . . . 44 M HE# . 52457 1
65 . 1 . 1 8 8 MET HE2 H 1 1.983 0.000 . . . . . . . 44 M HE# . 52457 1
66 . 1 . 1 8 8 MET HE3 H 1 1.983 0.000 . . . . . . . 44 M HE# . 52457 1
67 . 1 . 1 8 8 MET CA C 13 55.533 0.000 . . . . . . . 44 M CA . 52457 1
68 . 1 . 1 8 8 MET CB C 13 32.381 0.004 . . . . . . . 44 M CB . 52457 1
69 . 1 . 1 8 8 MET N N 15 119.660 0.000 . . . . . . . 44 M N . 52457 1
70 . 1 . 1 9 9 LEU H H 1 7.933 0.000 . . . . . . . 45 L HN . 52457 1
71 . 1 . 1 9 9 LEU HA H 1 4.325 0.000 . . . . . . . 45 L HA . 52457 1
72 . 1 . 1 9 9 LEU HB2 H 1 1.519 0.000 . . . . . . . 45 L HB2 . 52457 1
73 . 1 . 1 9 9 LEU HB3 H 1 1.431 0.000 . . . . . . . 45 L HB3 . 52457 1
74 . 1 . 1 9 9 LEU HG H 1 1.506 0.000 . . . . . . . 45 L HG . 52457 1
75 . 1 . 1 9 9 LEU HD11 H 1 0.756 0.000 . . . . . . . 45 L QD1 . 52457 1
76 . 1 . 1 9 9 LEU HD12 H 1 0.756 0.000 . . . . . . . 45 L QD1 . 52457 1
77 . 1 . 1 9 9 LEU HD13 H 1 0.756 0.000 . . . . . . . 45 L QD1 . 52457 1
78 . 1 . 1 9 9 LEU HD21 H 1 0.733 0.000 . . . . . . . 45 L QD2 . 52457 1
79 . 1 . 1 9 9 LEU HD22 H 1 0.733 0.000 . . . . . . . 45 L QD2 . 52457 1
80 . 1 . 1 9 9 LEU HD23 H 1 0.733 0.000 . . . . . . . 45 L QD2 . 52457 1
81 . 1 . 1 9 9 LEU CA C 13 54.924 0.000 . . . . . . . 45 L CA . 52457 1
82 . 1 . 1 9 9 LEU CB C 13 42.726 0.000 . . . . . . . 45 L CB . 52457 1
83 . 1 . 1 9 9 LEU CG C 13 26.882 0.000 . . . . . . . 45 L CG . 52457 1
84 . 1 . 1 9 9 LEU CD1 C 13 25.135 0.000 . . . . . . . 45 L CD1 . 52457 1
85 . 1 . 1 9 9 LEU N N 15 122.448 0.000 . . . . . . . 45 L N . 52457 1
86 . 1 . 1 10 10 SER H H 1 8.483 0.000 . . . . . . . 46 S HN . 52457 1
87 . 1 . 1 10 10 SER HA H 1 4.699 0.000 . . . . . . . 46 S HA . 52457 1
88 . 1 . 1 10 10 SER HB2 H 1 3.862 0.000 . . . . . . . 46 S HB2 . 52457 1
89 . 1 . 1 10 10 SER HB3 H 1 3.787 0.000 . . . . . . . 46 S HB3 . 52457 1
90 . 1 . 1 10 10 SER CA C 13 55.992 0.000 . . . . . . . 46 S CA . 52457 1
91 . 1 . 1 10 10 SER CB C 13 63.653 0.026 . . . . . . . 46 S CB . 52457 1
92 . 1 . 1 10 10 SER N N 15 118.265 0.000 . . . . . . . 46 S N . 52457 1
93 . 1 . 1 11 11 PRO HA H 1 4.259 0.000 . . . . . . . 47 P HA . 52457 1
94 . 1 . 1 11 11 PRO HB2 H 1 2.180 0.000 . . . . . . . 47 P HB2 . 52457 1
95 . 1 . 1 11 11 PRO HB3 H 1 1.850 0.000 . . . . . . . 47 P HB3 . 52457 1
96 . 1 . 1 11 11 PRO HG2 H 1 1.865 0.000 . . . . . . . 47 P HG2 . 52457 1
97 . 1 . 1 11 11 PRO HG3 H 1 1.919 0.000 . . . . . . . 47 P HG3 . 52457 1
98 . 1 . 1 11 11 PRO HD2 H 1 3.678 0.000 . . . . . . . 47 P HD2 . 52457 1
99 . 1 . 1 11 11 PRO HD3 H 1 3.681 0.000 . . . . . . . 47 P HD3 . 52457 1
100 . 1 . 1 11 11 PRO CA C 13 64.153 0.000 . . . . . . . 47 P CA . 52457 1
101 . 1 . 1 11 11 PRO CB C 13 31.956 0.007 . . . . . . . 47 P CB . 52457 1
102 . 1 . 1 11 11 PRO CG C 13 27.349 0.034 . . . . . . . 47 P CG . 52457 1
103 . 1 . 1 11 11 PRO CD C 13 50.604 0.000 . . . . . . . 47 P CD . 52457 1
104 . 1 . 1 12 12 ASP H H 1 8.075 0.000 . . . . . . . 48 D HN . 52457 1
105 . 1 . 1 12 12 ASP HA H 1 4.433 0.000 . . . . . . . 48 D HA . 52457 1
106 . 1 . 1 12 12 ASP HB2 H 1 2.600 0.000 . . . . . . . 48 D HB2 . 52457 1
107 . 1 . 1 12 12 ASP HB3 H 1 2.449 0.000 . . . . . . . 48 D HB3 . 52457 1
108 . 1 . 1 12 12 ASP CA C 13 55.132 0.000 . . . . . . . 48 D CA . 52457 1
109 . 1 . 1 12 12 ASP CB C 13 41.073 0.009 . . . . . . . 48 D CB . 52457 1
110 . 1 . 1 12 12 ASP N N 15 117.865 0.000 . . . . . . . 48 D N . 52457 1
111 . 1 . 1 13 13 ASP H H 1 7.917 0.000 . . . . . . . 49 D HN . 52457 1
112 . 1 . 1 13 13 ASP HA H 1 4.504 0.000 . . . . . . . 49 D HA . 52457 1
113 . 1 . 1 13 13 ASP HB2 H 1 2.616 0.000 . . . . . . . 49 D QB . 52457 1
114 . 1 . 1 13 13 ASP HB3 H 1 2.616 0.000 . . . . . . . 49 D QB . 52457 1
115 . 1 . 1 13 13 ASP CA C 13 54.920 0.000 . . . . . . . 49 D CA . 52457 1
116 . 1 . 1 13 13 ASP CB C 13 41.388 0.000 . . . . . . . 49 D CB . 52457 1
117 . 1 . 1 13 13 ASP N N 15 119.910 0.000 . . . . . . . 49 D N . 52457 1
118 . 1 . 1 14 14 ILE H H 1 7.690 0.000 . . . . . . . 50 I HN . 52457 1
119 . 1 . 1 14 14 ILE HA H 1 3.841 0.000 . . . . . . . 50 I HA . 52457 1
120 . 1 . 1 14 14 ILE HB H 1 1.757 0.000 . . . . . . . 50 I HB . 52457 1
121 . 1 . 1 14 14 ILE HG12 H 1 1.319 0.000 . . . . . . . 50 I HG12 . 52457 1
122 . 1 . 1 14 14 ILE HG13 H 1 1.027 0.000 . . . . . . . 50 I HG13 . 52457 1
123 . 1 . 1 14 14 ILE HG21 H 1 0.755 0.000 . . . . . . . 50 I QG2 . 52457 1
124 . 1 . 1 14 14 ILE HG22 H 1 0.755 0.000 . . . . . . . 50 I QG2 . 52457 1
125 . 1 . 1 14 14 ILE HG23 H 1 0.755 0.000 . . . . . . . 50 I QG2 . 52457 1
126 . 1 . 1 14 14 ILE HD11 H 1 0.704 0.000 . . . . . . . 50 I QD1 . 52457 1
127 . 1 . 1 14 14 ILE HD12 H 1 0.704 0.000 . . . . . . . 50 I QD1 . 52457 1
128 . 1 . 1 14 14 ILE HD13 H 1 0.704 0.000 . . . . . . . 50 I QD1 . 52457 1
129 . 1 . 1 14 14 ILE CA C 13 62.143 0.000 . . . . . . . 50 I CA . 52457 1
130 . 1 . 1 14 14 ILE CB C 13 38.491 0.000 . . . . . . . 50 I CB . 52457 1
131 . 1 . 1 14 14 ILE CG1 C 13 27.651 0.013 . . . . . . . 50 I CG1 . 52457 1
132 . 1 . 1 14 14 ILE CG2 C 13 17.617 0.000 . . . . . . . 50 I CG2 . 52457 1
133 . 1 . 1 14 14 ILE CD1 C 13 13.187 0.000 . . . . . . . 50 I CD1 . 52457 1
134 . 1 . 1 14 14 ILE N N 15 119.633 0.000 . . . . . . . 50 I N . 52457 1
135 . 1 . 1 15 15 GLU H H 1 8.181 0.000 . . . . . . . 51 E HN . 52457 1
136 . 1 . 1 15 15 GLU HA H 1 4.024 0.000 . . . . . . . 51 E HA . 52457 1
137 . 1 . 1 15 15 GLU HB2 H 1 1.834 0.000 . . . . . . . 51 E HB2 . 52457 1
138 . 1 . 1 15 15 GLU HB3 H 1 1.832 0.000 . . . . . . . 51 E HB3 . 52457 1
139 . 1 . 1 15 15 GLU HG2 H 1 2.165 0.000 . . . . . . . 51 E HG2 . 52457 1
140 . 1 . 1 15 15 GLU HG3 H 1 2.118 0.000 . . . . . . . 51 E HG3 . 52457 1
141 . 1 . 1 15 15 GLU CA C 13 57.397 0.000 . . . . . . . 51 E CA . 52457 1
142 . 1 . 1 15 15 GLU CB C 13 29.819 0.000 . . . . . . . 51 E CB . 52457 1
143 . 1 . 1 15 15 GLU CG C 13 36.363 0.009 . . . . . . . 51 E CG . 52457 1
144 . 1 . 1 15 15 GLU N N 15 122.357 0.000 . . . . . . . 51 E N . 52457 1
145 . 1 . 1 16 16 GLN H H 1 7.972 0.000 . . . . . . . 52 Q HN . 52457 1
146 . 1 . 1 16 16 GLN HA H 1 4.101 0.000 . . . . . . . 52 Q HA . 52457 1
147 . 1 . 1 16 16 GLN HB2 H 1 1.779 0.000 . . . . . . . 52 Q HB2 . 52457 1
148 . 1 . 1 16 16 GLN HB3 H 1 1.841 0.000 . . . . . . . 52 Q HB3 . 52457 1
149 . 1 . 1 16 16 GLN HG2 H 1 2.078 0.000 . . . . . . . 52 Q HG2 . 52457 1
150 . 1 . 1 16 16 GLN HG3 H 1 2.082 0.000 . . . . . . . 52 Q HG3 . 52457 1
151 . 1 . 1 16 16 GLN CA C 13 56.197 0.000 . . . . . . . 52 Q CA . 52457 1
152 . 1 . 1 16 16 GLN CB C 13 29.166 0.006 . . . . . . . 52 Q CB . 52457 1
153 . 1 . 1 16 16 GLN CG C 13 33.623 0.000 . . . . . . . 52 Q CG . 52457 1
154 . 1 . 1 16 16 GLN N N 15 119.236 0.000 . . . . . . . 52 Q N . 52457 1
155 . 1 . 1 17 17 TRP H H 1 7.849 0.000 . . . . . . . 53 W HN . 52457 1
156 . 1 . 1 17 17 TRP HA H 1 4.496 0.000 . . . . . . . 53 W HA . 52457 1
157 . 1 . 1 17 17 TRP HB2 H 1 3.042 0.000 . . . . . . . 53 W HB2 . 52457 1
158 . 1 . 1 17 17 TRP HB3 H 1 3.034 0.000 . . . . . . . 53 W HB3 . 52457 1
159 . 1 . 1 17 17 TRP HD1 H 1 6.965 0.000 . . . . . . . 53 W HD1 . 52457 1
160 . 1 . 1 17 17 TRP HE1 H 1 6.965 0.000 . . . . . . . 53 W HE1 . 52457 1
161 . 1 . 1 17 17 TRP HE3 H 1 7.405 0.000 . . . . . . . 53 W HE3 . 52457 1
162 . 1 . 1 17 17 TRP HZ2 H 1 7.314 0.000 . . . . . . . 53 W HZ2 . 52457 1
163 . 1 . 1 17 17 TRP HZ3 H 1 6.953 0.000 . . . . . . . 53 W HZ3 . 52457 1
164 . 1 . 1 17 17 TRP HH2 H 1 7.055 0.000 . . . . . . . 53 W HH2 . 52457 1
165 . 1 . 1 17 17 TRP CA C 13 57.300 0.000 . . . . . . . 53 W CA . 52457 1
166 . 1 . 1 17 17 TRP CB C 13 29.750 0.000 . . . . . . . 53 W CB . 52457 1
167 . 1 . 1 17 17 TRP CD1 C 13 126.836 0.000 . . . . . . . 53 W CD1 . 52457 1
168 . 1 . 1 17 17 TRP CE3 C 13 120.754 0.000 . . . . . . . 53 W CE3 . 52457 1
169 . 1 . 1 17 17 TRP CZ2 C 13 114.438 0.000 . . . . . . . 53 W CZ2 . 52457 1
170 . 1 . 1 17 17 TRP CZ3 C 13 121.832 0.000 . . . . . . . 53 W CZ3 . 52457 1
171 . 1 . 1 17 17 TRP CH2 C 13 124.472 0.000 . . . . . . . 53 W CH2 . 52457 1
172 . 1 . 1 17 17 TRP N N 15 120.789 0.000 . . . . . . . 53 W N . 52457 1
173 . 1 . 1 18 18 PHE H H 1 7.834 0.000 . . . . . . . 54 F HN . 52457 1
174 . 1 . 1 18 18 PHE HA H 1 4.552 0.000 . . . . . . . 54 F HA . 52457 1
175 . 1 . 1 18 18 PHE HB2 H 1 3.007 0.000 . . . . . . . 54 F HB2 . 52457 1
176 . 1 . 1 18 18 PHE HB3 H 1 2.817 0.000 . . . . . . . 54 F HB3 . 52457 1
177 . 1 . 1 18 18 PHE HE1 H 1 7.097 0.000 . . . . . . . 54 F QE . 52457 1
178 . 1 . 1 18 18 PHE HE2 H 1 7.097 0.000 . . . . . . . 54 F QE . 52457 1
179 . 1 . 1 18 18 PHE CA C 13 57.601 0.000 . . . . . . . 54 F CA . 52457 1
180 . 1 . 1 18 18 PHE CB C 13 39.666 0.000 . . . . . . . 54 F CB . 52457 1
181 . 1 . 1 18 18 PHE CE1 C 13 69.394 0.000 . . . . . . . 54 F CE1 . 52457 1
182 . 1 . 1 18 18 PHE N N 15 120.077 0.000 . . . . . . . 54 F N . 52457 1
183 . 1 . 1 19 19 THR H H 1 7.832 0.000 . . . . . . . 55 T HN . 52457 1
184 . 1 . 1 19 19 THR HA H 1 4.229 0.000 . . . . . . . 55 T HA . 52457 1
185 . 1 . 1 19 19 THR HB H 1 4.095 0.000 . . . . . . . 55 T HB . 52457 1
186 . 1 . 1 19 19 THR HG1 H 1 1.077 0.000 . . . . . . . 55 T HG1 . 52457 1
187 . 1 . 1 19 19 THR HG21 H 1 1.085 0.000 . . . . . . . 55 T QG2 . 52457 1
188 . 1 . 1 19 19 THR HG22 H 1 1.085 0.000 . . . . . . . 55 T QG2 . 52457 1
189 . 1 . 1 19 19 THR HG23 H 1 1.085 0.000 . . . . . . . 55 T QG2 . 52457 1
190 . 1 . 1 19 19 THR CA C 13 61.568 0.000 . . . . . . . 55 T CA . 52457 1
191 . 1 . 1 19 19 THR CB C 13 70.064 0.000 . . . . . . . 55 T CB . 52457 1
192 . 1 . 1 19 19 THR CG2 C 13 21.504 0.000 . . . . . . . 55 T CG2 . 52457 1
193 . 1 . 1 19 19 THR N N 15 115.146 0.000 . . . . . . . 55 T N . 52457 1
194 . 1 . 1 20 20 GLU H H 1 8.263 0.000 . . . . . . . 56 E HN . 52457 1
195 . 1 . 1 20 20 GLU HA H 1 4.233 0.000 . . . . . . . 56 E HA . 52457 1
196 . 1 . 1 20 20 GLU HB2 H 1 2.027 0.000 . . . . . . . 56 E HB2 . 52457 1
197 . 1 . 1 20 20 GLU HB3 H 1 1.823 0.000 . . . . . . . 56 E HB3 . 52457 1
198 . 1 . 1 20 20 GLU HG2 H 1 2.188 0.000 . . . . . . . 56 E HG2 . 52457 1
199 . 1 . 1 20 20 GLU HG3 H 1 2.181 0.000 . . . . . . . 56 E HG3 . 52457 1
200 . 1 . 1 20 20 GLU CA C 13 56.372 0.000 . . . . . . . 56 E CA . 52457 1
201 . 1 . 1 20 20 GLU CB C 13 30.671 0.000 . . . . . . . 56 E CB . 52457 1
202 . 1 . 1 20 20 GLU CG C 13 36.379 0.000 . . . . . . . 56 E CG . 52457 1
203 . 1 . 1 20 20 GLU N N 15 123.242 0.000 . . . . . . . 56 E N . 52457 1
204 . 1 . 1 21 21 ASP H H 1 7.919 0.000 . . . . . . . 57 D HN . 52457 1
205 . 1 . 1 21 21 ASP HA H 1 4.276 0.000 . . . . . . . 57 D HA . 52457 1
206 . 1 . 1 21 21 ASP HB2 H 1 2.572 0.000 . . . . . . . 57 D HB2 . 52457 1
207 . 1 . 1 21 21 ASP HB3 H 1 2.465 0.000 . . . . . . . 57 D HB3 . 52457 1
208 . 1 . 1 21 21 ASP CA C 13 55.968 0.000 . . . . . . . 57 D CA . 52457 1
209 . 1 . 1 21 21 ASP CB C 13 42.287 0.009 . . . . . . . 57 D CB . 52457 1
210 . 1 . 1 21 21 ASP N N 15 126.839 0.000 . . . . . . . 57 D N . 52457 1
stop_
save_