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 30671
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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' . . . 30671 1
2 '2D 1H-1H NOESY' . . . 30671 1
3 '2D 1H-15N HSQC' . . . 30671 1
4 '2D 1H-13C HSQC' . . . 30671 1
5 '2D 1H-1H E.COSY' . . . 30671 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 GLY H H 1 8.391 0.002 . . . . . . A 1 GLY H1 . 30671 1
2 . 1 . 1 1 1 GLY HA2 H 1 4.427 0.005 . . . . . . A 1 GLY HA2 . 30671 1
3 . 1 . 1 1 1 GLY HA3 H 1 3.735 0.008 . . . . . . A 1 GLY HA3 . 30671 1
4 . 1 . 1 1 1 GLY CA C 13 42.171 0.014 . . . . . . A 1 GLY CA . 30671 1
5 . 1 . 1 1 1 GLY N N 15 108.543 0.000 . . . . . . A 1 GLY N . 30671 1
6 . 1 . 1 2 2 ARG H H 1 7.866 0.001 . . . . . . A 2 ARG H . 30671 1
7 . 1 . 1 2 2 ARG HA H 1 4.266 0.002 . . . . . . A 2 ARG HA . 30671 1
8 . 1 . 1 2 2 ARG HB2 H 1 1.663 0.008 . . . . . . A 2 ARG HB2 . 30671 1
9 . 1 . 1 2 2 ARG HB3 H 1 1.993 0.004 . . . . . . A 2 ARG HB3 . 30671 1
10 . 1 . 1 2 2 ARG HG2 H 1 1.601 0.004 . . . . . . A 2 ARG HG2 . 30671 1
11 . 1 . 1 2 2 ARG HG3 H 1 1.597 0.007 . . . . . . A 2 ARG HG3 . 30671 1
12 . 1 . 1 2 2 ARG HD2 H 1 3.143 0.004 . . . . . . A 2 ARG HD2 . 30671 1
13 . 1 . 1 2 2 ARG HD3 H 1 3.207 0.003 . . . . . . A 2 ARG HD3 . 30671 1
14 . 1 . 1 2 2 ARG HE H 1 7.819 0.002 . . . . . . A 2 ARG HE . 30671 1
15 . 1 . 1 2 2 ARG CA C 13 54.628 0.000 . . . . . . A 2 ARG CA . 30671 1
16 . 1 . 1 2 2 ARG CB C 13 28.369 0.026 . . . . . . A 2 ARG CB . 30671 1
17 . 1 . 1 2 2 ARG CG C 13 25.038 0.000 . . . . . . A 2 ARG CG . 30671 1
18 . 1 . 1 2 2 ARG CD C 13 40.653 0.001 . . . . . . A 2 ARG CD . 30671 1
19 . 1 . 1 2 2 ARG N N 15 121.555 0.000 . . . . . . A 2 ARG N . 30671 1
20 . 1 . 1 2 2 ARG NE N 15 125.574 0.000 . . . . . . A 2 ARG NE . 30671 1
21 . 1 . 1 3 3 ALA H H 1 8.455 0.001 . . . . . . A 3 ALA H . 30671 1
22 . 1 . 1 3 3 ALA HA H 1 5.262 0.005 . . . . . . A 3 ALA HA . 30671 1
23 . 1 . 1 3 3 ALA HB1 H 1 2.284 0.008 . . . . . . A 3 ALA HB1 . 30671 1
24 . 1 . 1 3 3 ALA HB2 H 1 2.484 0.006 . . . . . . A 3 ALA HB2 . 30671 1
25 . 1 . 1 3 3 ALA HB3 H 1 2.484 0.006 . . . . . . A 3 ALA HB3 . 30671 1
26 . 1 . 1 3 3 ALA CA C 13 51.259 0.000 . . . . . . A 3 ALA CA . 30671 1
27 . 1 . 1 3 3 ALA CB C 13 36.909 0.006 . . . . . . A 3 ALA CB . 30671 1
28 . 1 . 1 3 3 ALA N N 15 122.519 0.000 . . . . . . A 3 ALA N . 30671 1
29 . 1 . 1 4 4 TYR H H 1 8.690 0.002 . . . . . . A 4 TYR H . 30671 1
30 . 1 . 1 4 4 TYR HA H 1 4.724 0.008 . . . . . . A 4 TYR HA . 30671 1
31 . 1 . 1 4 4 TYR HB2 H 1 2.749 0.002 . . . . . . A 4 TYR HB2 . 30671 1
32 . 1 . 1 4 4 TYR HB3 H 1 3.014 0.004 . . . . . . A 4 TYR HB3 . 30671 1
33 . 1 . 1 4 4 TYR HD1 H 1 7.054 0.005 . . . . . . A 4 TYR HD1 . 30671 1
34 . 1 . 1 4 4 TYR HD2 H 1 7.054 0.005 . . . . . . A 4 TYR HD2 . 30671 1
35 . 1 . 1 4 4 TYR HE1 H 1 6.756 0.005 . . . . . . A 4 TYR HE1 . 30671 1
36 . 1 . 1 4 4 TYR HE2 H 1 6.756 0.005 . . . . . . A 4 TYR HE2 . 30671 1
37 . 1 . 1 4 4 TYR CA C 13 53.392 0.000 . . . . . . A 4 TYR CA . 30671 1
38 . 1 . 1 4 4 TYR CB C 13 37.335 0.042 . . . . . . A 4 TYR CB . 30671 1
39 . 1 . 1 4 4 TYR CD1 C 13 130.168 0.000 . . . . . . A 4 TYR CD1 . 30671 1
40 . 1 . 1 4 4 TYR CE2 C 13 115.360 0.000 . . . . . . A 4 TYR CE2 . 30671 1
41 . 1 . 1 4 4 TYR N N 15 120.515 0.000 . . . . . . A 4 TYR N . 30671 1
42 . 1 . 1 5 5 LYS H H 1 8.714 0.004 . . . . . . A 5 LYS H . 30671 1
43 . 1 . 1 5 5 LYS HA H 1 4.349 0.003 . . . . . . A 5 LYS HA . 30671 1
44 . 1 . 1 5 5 LYS HB2 H 1 1.689 0.006 . . . . . . A 5 LYS HB2 . 30671 1
45 . 1 . 1 5 5 LYS HB3 H 1 1.935 0.004 . . . . . . A 5 LYS HB3 . 30671 1
46 . 1 . 1 5 5 LYS HG2 H 1 1.386 0.006 . . . . . . A 5 LYS HG2 . 30671 1
47 . 1 . 1 5 5 LYS HG3 H 1 1.490 0.006 . . . . . . A 5 LYS HG3 . 30671 1
48 . 1 . 1 5 5 LYS HD2 H 1 1.690 0.007 . . . . . . A 5 LYS HD2 . 30671 1
49 . 1 . 1 5 5 LYS HD3 H 1 1.689 0.008 . . . . . . A 5 LYS HD3 . 30671 1
50 . 1 . 1 5 5 LYS HE2 H 1 3.018 0.005 . . . . . . A 5 LYS HE2 . 30671 1
51 . 1 . 1 5 5 LYS HE3 H 1 3.020 0.003 . . . . . . A 5 LYS HE3 . 30671 1
52 . 1 . 1 5 5 LYS HZ1 H 1 7.547 0.003 . . . . . . A 5 LYS HZ1 . 30671 1
53 . 1 . 1 5 5 LYS HZ2 H 1 7.547 0.003 . . . . . . A 5 LYS HZ2 . 30671 1
54 . 1 . 1 5 5 LYS HZ3 H 1 7.547 0.003 . . . . . . A 5 LYS HZ3 . 30671 1
55 . 1 . 1 5 5 LYS CA C 13 53.336 0.000 . . . . . . A 5 LYS CA . 30671 1
56 . 1 . 1 5 5 LYS CB C 13 27.536 0.002 . . . . . . A 5 LYS CB . 30671 1
57 . 1 . 1 5 5 LYS CG C 13 22.094 0.013 . . . . . . A 5 LYS CG . 30671 1
58 . 1 . 1 5 5 LYS CD C 13 26.403 0.000 . . . . . . A 5 LYS CD . 30671 1
59 . 1 . 1 5 5 LYS CE C 13 39.530 0.000 . . . . . . A 5 LYS CE . 30671 1
60 . 1 . 1 5 5 LYS N N 15 125.766 0.000 . . . . . . A 5 LYS N . 30671 1
61 . 1 . 1 5 5 LYS NZ N 15 112.553 0.000 . . . . . . A 5 LYS NZ . 30671 1
62 . 1 . 1 6 6 SER H H 1 7.527 0.002 . . . . . . A 6 SER H . 30671 1
63 . 1 . 1 6 6 SER HA H 1 4.345 0.004 . . . . . . A 6 SER HA . 30671 1
64 . 1 . 1 6 6 SER HB2 H 1 3.687 0.003 . . . . . . A 6 SER HB2 . 30671 1
65 . 1 . 1 6 6 SER HB3 H 1 3.919 0.004 . . . . . . A 6 SER HB3 . 30671 1
66 . 1 . 1 6 6 SER CA C 13 54.564 0.000 . . . . . . A 6 SER CA . 30671 1
67 . 1 . 1 6 6 SER CB C 13 61.913 0.007 . . . . . . A 6 SER CB . 30671 1
68 . 1 . 1 6 6 SER N N 15 115.154 0.000 . . . . . . A 6 SER N . 30671 1
69 . 1 . 1 7 7 LYS H H 1 8.222 0.001 . . . . . . A 7 LYS H . 30671 1
70 . 1 . 1 7 7 LYS HA H 1 4.638 0.005 . . . . . . A 7 LYS HA . 30671 1
71 . 1 . 1 7 7 LYS HB2 H 1 1.698 0.005 . . . . . . A 7 LYS HB2 . 30671 1
72 . 1 . 1 7 7 LYS HB3 H 1 1.699 0.005 . . . . . . A 7 LYS HB3 . 30671 1
73 . 1 . 1 7 7 LYS HG2 H 1 1.236 0.010 . . . . . . A 7 LYS HG2 . 30671 1
74 . 1 . 1 7 7 LYS HG3 H 1 1.362 0.004 . . . . . . A 7 LYS HG3 . 30671 1
75 . 1 . 1 7 7 LYS HD2 H 1 1.652 0.007 . . . . . . A 7 LYS HD2 . 30671 1
76 . 1 . 1 7 7 LYS HD3 H 1 1.652 0.007 . . . . . . A 7 LYS HD3 . 30671 1
77 . 1 . 1 7 7 LYS HE2 H 1 2.950 0.007 . . . . . . A 7 LYS HE2 . 30671 1
78 . 1 . 1 7 7 LYS HE3 H 1 2.950 0.006 . . . . . . A 7 LYS HE3 . 30671 1
79 . 1 . 1 7 7 LYS HZ1 H 1 7.489 0.004 . . . . . . A 7 LYS HZ1 . 30671 1
80 . 1 . 1 7 7 LYS HZ2 H 1 7.489 0.004 . . . . . . A 7 LYS HZ2 . 30671 1
81 . 1 . 1 7 7 LYS HZ3 H 1 7.489 0.004 . . . . . . A 7 LYS HZ3 . 30671 1
82 . 1 . 1 7 7 LYS CA C 13 50.235 0.000 . . . . . . A 7 LYS CA . 30671 1
83 . 1 . 1 7 7 LYS CB C 13 30.903 0.000 . . . . . . A 7 LYS CB . 30671 1
84 . 1 . 1 7 7 LYS CG C 13 21.950 0.026 . . . . . . A 7 LYS CG . 30671 1
85 . 1 . 1 7 7 LYS CD C 13 26.589 0.000 . . . . . . A 7 LYS CD . 30671 1
86 . 1 . 1 7 7 LYS CE C 13 39.458 0.000 . . . . . . A 7 LYS CE . 30671 1
87 . 1 . 1 7 7 LYS N N 15 119.574 0.000 . . . . . . A 7 LYS N . 30671 1
88 . 1 . 1 7 7 LYS NZ N 15 112.553 0.000 . . . . . . A 7 LYS NZ . 30671 1
89 . 1 . 1 8 8 PRO HA H 1 5.105 0.004 . . . . . . A 8 PRO HA . 30671 1
90 . 1 . 1 8 8 PRO HB2 H 1 2.107 0.004 . . . . . . A 8 PRO HB2 . 30671 1
91 . 1 . 1 8 8 PRO HB3 H 1 2.409 0.006 . . . . . . A 8 PRO HB3 . 30671 1
92 . 1 . 1 8 8 PRO HG2 H 1 1.807 0.009 . . . . . . A 8 PRO HG2 . 30671 1
93 . 1 . 1 8 8 PRO HG3 H 1 1.942 0.008 . . . . . . A 8 PRO HG3 . 30671 1
94 . 1 . 1 8 8 PRO HD2 H 1 3.475 0.002 . . . . . . A 8 PRO HD2 . 30671 1
95 . 1 . 1 8 8 PRO HD3 H 1 3.586 0.004 . . . . . . A 8 PRO HD3 . 30671 1
96 . 1 . 1 8 8 PRO CA C 13 59.702 0.000 . . . . . . A 8 PRO CA . 30671 1
97 . 1 . 1 8 8 PRO CB C 13 30.332 0.001 . . . . . . A 8 PRO CB . 30671 1
98 . 1 . 1 8 8 PRO CG C 13 21.919 0.007 . . . . . . A 8 PRO CG . 30671 1
99 . 1 . 1 8 8 PRO CD C 13 47.556 0.014 . . . . . . A 8 PRO CD . 30671 1
100 . 1 . 1 9 9 PRO HA H 1 4.336 0.003 . . . . . . A 9 PRO HA . 30671 1
101 . 1 . 1 9 9 PRO HB2 H 1 1.911 0.007 . . . . . . A 9 PRO HB2 . 30671 1
102 . 1 . 1 9 9 PRO HB3 H 1 2.249 0.005 . . . . . . A 9 PRO HB3 . 30671 1
103 . 1 . 1 9 9 PRO HG2 H 1 2.124 0.008 . . . . . . A 9 PRO HG2 . 30671 1
104 . 1 . 1 9 9 PRO HG3 H 1 2.128 0.010 . . . . . . A 9 PRO HG3 . 30671 1
105 . 1 . 1 9 9 PRO HD2 H 1 3.780 0.002 . . . . . . A 9 PRO HD2 . 30671 1
106 . 1 . 1 9 9 PRO HD3 H 1 3.689 0.003 . . . . . . A 9 PRO HD3 . 30671 1
107 . 1 . 1 9 9 PRO CA C 13 60.965 0.000 . . . . . . A 9 PRO CA . 30671 1
108 . 1 . 1 9 9 PRO CB C 13 29.898 0.018 . . . . . . A 9 PRO CB . 30671 1
109 . 1 . 1 9 9 PRO CG C 13 24.926 0.000 . . . . . . A 9 PRO CG . 30671 1
110 . 1 . 1 9 9 PRO CD C 13 47.895 0.021 . . . . . . A 9 PRO CD . 30671 1
111 . 1 . 1 10 10 ILE H H 1 7.310 0.003 . . . . . . A 10 ILE H . 30671 1
112 . 1 . 1 10 10 ILE HA H 1 4.285 0.003 . . . . . . A 10 ILE HA . 30671 1
113 . 1 . 1 10 10 ILE HB H 1 1.487 0.003 . . . . . . A 10 ILE HB . 30671 1
114 . 1 . 1 10 10 ILE HG12 H 1 0.890 0.007 . . . . . . A 10 ILE HG12 . 30671 1
115 . 1 . 1 10 10 ILE HG13 H 1 1.317 0.011 . . . . . . A 10 ILE HG13 . 30671 1
116 . 1 . 1 10 10 ILE HG21 H 1 0.608 0.008 . . . . . . A 10 ILE HG21 . 30671 1
117 . 1 . 1 10 10 ILE HG22 H 1 0.608 0.008 . . . . . . A 10 ILE HG22 . 30671 1
118 . 1 . 1 10 10 ILE HG23 H 1 0.608 0.008 . . . . . . A 10 ILE HG23 . 30671 1
119 . 1 . 1 10 10 ILE HD11 H 1 0.754 0.003 . . . . . . A 10 ILE HD11 . 30671 1
120 . 1 . 1 10 10 ILE HD12 H 1 0.754 0.003 . . . . . . A 10 ILE HD12 . 30671 1
121 . 1 . 1 10 10 ILE HD13 H 1 0.754 0.003 . . . . . . A 10 ILE HD13 . 30671 1
122 . 1 . 1 10 10 ILE CA C 13 56.637 0.000 . . . . . . A 10 ILE CA . 30671 1
123 . 1 . 1 10 10 ILE CB C 13 38.709 0.000 . . . . . . A 10 ILE CB . 30671 1
124 . 1 . 1 10 10 ILE CG1 C 13 24.429 0.006 . . . . . . A 10 ILE CG1 . 30671 1
125 . 1 . 1 10 10 ILE CG2 C 13 14.684 0.000 . . . . . . A 10 ILE CG2 . 30671 1
126 . 1 . 1 10 10 ILE CD1 C 13 10.407 0.000 . . . . . . A 10 ILE CD1 . 30671 1
127 . 1 . 1 10 10 ILE N N 15 119.405 0.000 . . . . . . A 10 ILE N . 30671 1
128 . 1 . 1 11 11 ALA H H 1 8.445 0.002 . . . . . . A 11 ALA H . 30671 1
129 . 1 . 1 11 11 ALA HA H 1 5.393 0.007 . . . . . . A 11 ALA HA . 30671 1
130 . 1 . 1 11 11 ALA HB1 H 1 2.925 0.008 . . . . . . A 11 ALA HB1 . 30671 1
131 . 1 . 1 11 11 ALA HB2 H 1 3.188 0.010 . . . . . . A 11 ALA HB2 . 30671 1
132 . 1 . 1 11 11 ALA HB3 H 1 3.188 0.010 . . . . . . A 11 ALA HB3 . 30671 1
133 . 1 . 1 11 11 ALA CA C 13 50.661 0.000 . . . . . . A 11 ALA CA . 30671 1
134 . 1 . 1 11 11 ALA CB C 13 26.139 0.010 . . . . . . A 11 ALA CB . 30671 1
135 . 1 . 1 11 11 ALA N N 15 121.142 0.000 . . . . . . A 11 ALA N . 30671 1
136 . 1 . 1 12 12 PHE H H 1 8.958 0.003 . . . . . . A 12 PHE H . 30671 1
137 . 1 . 1 12 12 PHE HA H 1 4.976 0.007 . . . . . . A 12 PHE HA . 30671 1
138 . 1 . 1 12 12 PHE HB2 H 1 2.978 0.015 . . . . . . A 12 PHE HB2 . 30671 1
139 . 1 . 1 12 12 PHE HB3 H 1 3.362 0.011 . . . . . . A 12 PHE HB3 . 30671 1
140 . 1 . 1 12 12 PHE HD1 H 1 7.220 0.008 . . . . . . A 12 PHE HD1 . 30671 1
141 . 1 . 1 12 12 PHE HD2 H 1 7.220 0.008 . . . . . . A 12 PHE HD2 . 30671 1
142 . 1 . 1 12 12 PHE HE1 H 1 7.144 0.008 . . . . . . A 12 PHE HE1 . 30671 1
143 . 1 . 1 12 12 PHE HE2 H 1 7.144 0.008 . . . . . . A 12 PHE HE2 . 30671 1
144 . 1 . 1 12 12 PHE HZ H 1 7.180 0.000 . . . . . . A 12 PHE HZ . 30671 1
145 . 1 . 1 12 12 PHE CA C 13 53.779 0.000 . . . . . . A 12 PHE CA . 30671 1
146 . 1 . 1 12 12 PHE CB C 13 37.408 0.000 . . . . . . A 12 PHE CB . 30671 1
147 . 1 . 1 12 12 PHE CD1 C 13 128.659 0.000 . . . . . . A 12 PHE CD1 . 30671 1
148 . 1 . 1 12 12 PHE CE1 C 13 128.720 0.000 . . . . . . A 12 PHE CE1 . 30671 1
149 . 1 . 1 12 12 PHE CZ C 13 127.362 0.000 . . . . . . A 12 PHE CZ . 30671 1
150 . 1 . 1 12 12 PHE N N 15 121.290 0.000 . . . . . . A 12 PHE N . 30671 1
151 . 1 . 1 13 13 PRO HA H 1 4.420 0.005 . . . . . . A 13 PRO HA . 30671 1
152 . 1 . 1 13 13 PRO HB2 H 1 2.038 0.004 . . . . . . A 13 PRO HB2 . 30671 1
153 . 1 . 1 13 13 PRO HB3 H 1 2.451 0.007 . . . . . . A 13 PRO HB3 . 30671 1
154 . 1 . 1 13 13 PRO HG2 H 1 2.198 0.002 . . . . . . A 13 PRO HG2 . 30671 1
155 . 1 . 1 13 13 PRO HG3 H 1 2.101 0.003 . . . . . . A 13 PRO HG3 . 30671 1
156 . 1 . 1 13 13 PRO HD2 H 1 4.045 0.004 . . . . . . A 13 PRO HD2 . 30671 1
157 . 1 . 1 13 13 PRO HD3 H 1 4.045 0.004 . . . . . . A 13 PRO HD3 . 30671 1
158 . 1 . 1 13 13 PRO CA C 13 62.539 0.000 . . . . . . A 13 PRO CA . 30671 1
159 . 1 . 1 13 13 PRO CB C 13 29.111 0.016 . . . . . . A 13 PRO CB . 30671 1
160 . 1 . 1 13 13 PRO CG C 13 24.953 0.000 . . . . . . A 13 PRO CG . 30671 1
161 . 1 . 1 13 13 PRO CD C 13 48.567 0.000 . . . . . . A 13 PRO CD . 30671 1
162 . 1 . 1 14 14 ASP H H 1 7.770 0.001 . . . . . . A 14 ASP H . 30671 1
163 . 1 . 1 14 14 ASP HA H 1 4.524 0.002 . . . . . . A 14 ASP HA . 30671 1
164 . 1 . 1 14 14 ASP HB2 H 1 2.759 0.016 . . . . . . A 14 ASP HB2 . 30671 1
165 . 1 . 1 14 14 ASP HB3 H 1 3.137 0.017 . . . . . . A 14 ASP HB3 . 30671 1
166 . 1 . 1 14 14 ASP CA C 13 50.860 0.000 . . . . . . A 14 ASP CA . 30671 1
167 . 1 . 1 14 14 ASP CB C 13 36.330 0.000 . . . . . . A 14 ASP CB . 30671 1
168 . 1 . 1 14 14 ASP N N 15 113.894 0.000 . . . . . . A 14 ASP N . 30671 1
169 . 2 . 2 1 1 WMH C C 13 44.985 0.027 . . . . . . A 101 WMH C . 30671 1
170 . 2 . 2 1 1 WMH H2 H 1 4.434 0.004 . . . . . . A 101 WMH H2 . 30671 1
171 . 2 . 2 1 1 WMH H1 H 1 4.336 0.003 . . . . . . A 101 WMH H1 . 30671 1
172 . 2 . 2 1 1 WMH H5 H 1 7.410 0.000 . . . . . . A 101 WMH H5 . 30671 1
stop_
save_