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 52988
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'chemical shift assignments'
_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 '1D 1H' . . . 52988 1
2 '2D 1H-15N HSQC' . . . 52988 1
3 '2D 1H-13C HSQC aliphatic' . . . 52988 1
4 '2D 1H-13C HSQC aromatic' . . . 52988 1
5 '2D 1H-1H TOCSY' . . . 52988 1
6 '2D 1H-1H COSY' . . . 52988 1
7 '2D 1H-1H NOESY' . . . 52988 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 . . 52988 1
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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 3.553 0.000 . 1 . . . . . 1 SER HA . 52988 1
2 . 1 . 1 1 1 SER HB2 H 1 3.806 0.000 . 2 . . . . . 1 SER HB2 . 52988 1
3 . 1 . 1 1 1 SER CA C 13 57.309 0.000 . 1 . . . . . 1 SER CA . 52988 1
4 . 1 . 1 1 1 SER CB C 13 62.468 0.000 . 1 . . . . . 1 SER CB . 52988 1
5 . 1 . 1 2 2 TRP H H 1 8.878 0.001 . 1 . . . . . 2 TRP H . 52988 1
6 . 1 . 1 2 2 TRP HA H 1 5.207 0.002 . 1 . . . . . 2 TRP HA . 52988 1
7 . 1 . 1 2 2 TRP HB2 H 1 3.116 0.001 . 2 . . . . . 2 TRP HB2 . 52988 1
8 . 1 . 1 2 2 TRP HB3 H 1 3.011 0.002 . 2 . . . . . 2 TRP HB3 . 52988 1
9 . 1 . 1 2 2 TRP HD1 H 1 7.380 0.002 . 1 . . . . . 2 TRP HD1 . 52988 1
10 . 1 . 1 2 2 TRP HE1 H 1 10.281 0.000 . 1 . . . . . 2 TRP HE1 . 52988 1
11 . 1 . 1 2 2 TRP HE3 H 1 7.446 0.001 . 1 . . . . . 2 TRP HE3 . 52988 1
12 . 1 . 1 2 2 TRP HZ2 H 1 7.425 0.004 . 1 . . . . . 2 TRP HZ2 . 52988 1
13 . 1 . 1 2 2 TRP HZ3 H 1 7.220 0.002 . 1 . . . . . 2 TRP HZ3 . 52988 1
14 . 1 . 1 2 2 TRP HH2 H 1 7.287 0.002 . 1 . . . . . 2 TRP HH2 . 52988 1
15 . 1 . 1 2 2 TRP CA C 13 57.221 0.000 . 1 . . . . . 2 TRP CA . 52988 1
16 . 1 . 1 2 2 TRP CB C 13 31.147 0.004 . 1 . . . . . 2 TRP CB . 52988 1
17 . 1 . 1 2 2 TRP CD1 C 13 127.802 0.000 . 1 . . . . . 2 TRP CD1 . 52988 1
18 . 1 . 1 2 2 TRP CE3 C 13 120.128 0.000 . 1 . . . . . 2 TRP CE3 . 52988 1
19 . 1 . 1 2 2 TRP CZ2 C 13 115.194 0.000 . 1 . . . . . 2 TRP CZ2 . 52988 1
20 . 1 . 1 2 2 TRP CZ3 C 13 122.627 0.000 . 1 . . . . . 2 TRP CZ3 . 52988 1
21 . 1 . 1 2 2 TRP CH2 C 13 124.833 0.000 . 1 . . . . . 2 TRP CH2 . 52988 1
22 . 1 . 1 2 2 TRP N N 15 123.032 0.000 . 1 . . . . . 2 TRP N . 52988 1
23 . 1 . 1 2 2 TRP NE1 N 15 129.912 0.000 . 1 . . . . . 2 TRP NE1 . 52988 1
24 . 1 . 1 3 3 THR H H 1 9.535 0.001 . 1 . . . . . 3 THR H . 52988 1
25 . 1 . 1 3 3 THR HA H 1 4.920 0.004 . 1 . . . . . 3 THR HA . 52988 1
26 . 1 . 1 3 3 THR HB H 1 4.013 0.001 . 1 . . . . . 3 THR HB . 52988 1
27 . 1 . 1 3 3 THR HG21 H 1 1.128 0.002 . 1 . . . . . 3 THR HG2 . 52988 1
28 . 1 . 1 3 3 THR HG22 H 1 1.128 0.002 . 1 . . . . . 3 THR HG2 . 52988 1
29 . 1 . 1 3 3 THR HG23 H 1 1.128 0.002 . 1 . . . . . 3 THR HG2 . 52988 1
30 . 1 . 1 3 3 THR CA C 13 60.949 0.000 . 1 . . . . . 3 THR CA . 52988 1
31 . 1 . 1 3 3 THR CB C 13 71.675 0.000 . 1 . . . . . 3 THR CB . 52988 1
32 . 1 . 1 3 3 THR CG2 C 13 21.025 0.000 . 1 . . . . . 3 THR CG2 . 52988 1
33 . 1 . 1 3 3 THR N N 15 118.624 0.000 . 1 . . . . . 3 THR N . 52988 1
34 . 1 . 1 4 4 FT6 H H 1 8.851 0.003 . 1 . . . . . 4 FT6 H . 52988 1
35 . 1 . 1 4 4 FT6 HA H 1 4.637 0.004 . 1 . . . . . 4 FT6 HA . 52988 1
36 . 1 . 1 4 4 FT6 HB2 H 1 2.933 0.002 . 2 . . . . . 4 FT6 HB2 . 52988 1
37 . 1 . 1 4 4 FT6 HB3 H 1 2.080 0.001 . 2 . . . . . 4 FT6 HB3 . 52988 1
38 . 1 . 1 4 4 FT6 HD1 H 1 6.917 0.002 . 1 . . . . . 4 FT6 HD1 . 52988 1
39 . 1 . 1 4 4 FT6 HE1 H 1 9.921 0.000 . 1 . . . . . 4 FT6 HE1 . 52988 1
40 . 1 . 1 4 4 FT6 HE3 H 1 5.420 0.003 . 1 . . . . . 4 FT6 HE3 . 52988 1
41 . 1 . 1 4 4 FT6 HZ2 H 1 6.913 0.001 . 1 . . . . . 4 FT6 HZ2 . 52988 1
42 . 1 . 1 4 4 FT6 HZ3 H 1 6.233 0.002 . 1 . . . . . 4 FT6 HZ3 . 52988 1
43 . 1 . 1 4 4 FT6 CA C 13 56.315 0.000 . 1 . . . . . 4 FT6 CA . 52988 1
44 . 1 . 1 4 4 FT6 CB C 13 28.712 0.004 . 1 . . . . . 4 FT6 CB . 52988 1
45 . 1 . 1 4 4 FT6 CD1 C 13 127.647 0.000 . 1 . . . . . 4 FT6 CD1 . 52988 1
46 . 1 . 1 4 4 FT6 CE3 C 13 120.876 0.000 . 1 . . . . . 4 FT6 CE3 . 52988 1
47 . 1 . 1 4 4 FT6 CZ2 C 13 100.037 0.000 . 1 . . . . . 4 FT6 CZ2 . 52988 1
48 . 1 . 1 4 4 FT6 CZ3 C 13 109.812 0.000 . 1 . . . . . 4 FT6 CZ3 . 52988 1
49 . 1 . 1 4 4 FT6 N N 15 129.057 0.000 . 1 . . . . . 4 FT6 N . 52988 1
50 . 1 . 1 4 4 FT6 NE1 N 15 129.201 0.000 . 1 . . . . . 4 FT6 NE1 . 52988 1
51 . 1 . 1 5 5 GLU H H 1 8.475 0.002 . 1 . . . . . 5 GLU H . 52988 1
52 . 1 . 1 5 5 GLU HA H 1 4.394 0.002 . 1 . . . . . 5 GLU HA . 52988 1
53 . 1 . 1 5 5 GLU HB2 H 1 1.937 0.003 . 2 . . . . . 5 GLU HB2 . 52988 1
54 . 1 . 1 5 5 GLU HB3 H 1 1.793 0.003 . 2 . . . . . 5 GLU HB3 . 52988 1
55 . 1 . 1 5 5 GLU HG2 H 1 2.264 0.006 . 2 . . . . . 5 GLU HG2 . 52988 1
56 . 1 . 1 5 5 GLU HG3 H 1 2.210 0.005 . 2 . . . . . 5 GLU HG3 . 52988 1
57 . 1 . 1 5 5 GLU CA C 13 54.910 0.000 . 1 . . . . . 5 GLU CA . 52988 1
58 . 1 . 1 5 5 GLU CB C 13 31.291 0.001 . 1 . . . . . 5 GLU CB . 52988 1
59 . 1 . 1 5 5 GLU CG C 13 33.319 0.003 . 1 . . . . . 5 GLU CG . 52988 1
60 . 1 . 1 5 5 GLU N N 15 126.878 0.000 . 1 . . . . . 5 GLU N . 52988 1
61 . 1 . 1 6 6 ASN H H 1 9.162 0.001 . 1 . . . . . 6 ASN H . 52988 1
62 . 1 . 1 6 6 ASN HA H 1 4.186 0.001 . 1 . . . . . 6 ASN HA . 52988 1
63 . 1 . 1 6 6 ASN HB2 H 1 2.903 0.001 . 2 . . . . . 6 ASN HB2 . 52988 1
64 . 1 . 1 6 6 ASN HB3 H 1 2.632 0.003 . 2 . . . . . 6 ASN HB3 . 52988 1
65 . 1 . 1 6 6 ASN HD21 H 1 7.571 0.000 . 2 . . . . . 6 ASN HD21 . 52988 1
66 . 1 . 1 6 6 ASN HD22 H 1 6.880 0.000 . 2 . . . . . 6 ASN HD22 . 52988 1
67 . 1 . 1 6 6 ASN CA C 13 54.050 0.000 . 1 . . . . . 6 ASN CA . 52988 1
68 . 1 . 1 6 6 ASN CB C 13 37.478 0.003 . 1 . . . . . 6 ASN CB . 52988 1
69 . 1 . 1 6 6 ASN N N 15 122.778 0.000 . 1 . . . . . 6 ASN N . 52988 1
70 . 1 . 1 6 6 ASN ND2 N 15 113.209 0.004 . 1 . . . . . 6 ASN ND2 . 52988 1
71 . 1 . 1 7 7 GLY H H 1 7.758 0.002 . 1 . . . . . 7 GLY H . 52988 1
72 . 1 . 1 7 7 GLY HA2 H 1 3.814 0.004 . 2 . . . . . 7 GLY HA2 . 52988 1
73 . 1 . 1 7 7 GLY HA3 H 1 3.200 0.004 . 2 . . . . . 7 GLY HA3 . 52988 1
74 . 1 . 1 7 7 GLY CA C 13 45.733 0.001 . 1 . . . . . 7 GLY CA . 52988 1
75 . 1 . 1 7 7 GLY N N 15 101.883 0.000 . 1 . . . . . 7 GLY N . 52988 1
76 . 1 . 1 8 8 LYS H H 1 6.865 0.002 . 1 . . . . . 8 LYS H . 52988 1
77 . 1 . 1 8 8 LYS HA H 1 4.226 0.005 . 1 . . . . . 8 LYS HA . 52988 1
78 . 1 . 1 8 8 LYS HB2 H 1 1.688 0.003 . 2 . . . . . 8 LYS HB2 . 52988 1
79 . 1 . 1 8 8 LYS HB3 H 1 1.611 0.001 . 2 . . . . . 8 LYS HB3 . 52988 1
80 . 1 . 1 8 8 LYS HG2 H 1 1.264 0.002 . 2 . . . . . 8 LYS HG2 . 52988 1
81 . 1 . 1 8 8 LYS HG3 H 1 1.194 0.002 . 2 . . . . . 8 LYS HG3 . 52988 1
82 . 1 . 1 8 8 LYS HD2 H 1 1.643 0.002 . 2 . . . . . 8 LYS HD2 . 52988 1
83 . 1 . 1 8 8 LYS HE2 H 1 2.997 0.002 . 2 . . . . . 8 LYS HE2 . 52988 1
84 . 1 . 1 8 8 LYS CA C 13 54.536 0.000 . 1 . . . . . 8 LYS CA . 52988 1
85 . 1 . 1 8 8 LYS CB C 13 35.674 0.001 . 1 . . . . . 8 LYS CB . 52988 1
86 . 1 . 1 8 8 LYS CG C 13 23.536 0.001 . 1 . . . . . 8 LYS CG . 52988 1
87 . 1 . 1 8 8 LYS CD C 13 29.200 0.000 . 1 . . . . . 8 LYS CD . 52988 1
88 . 1 . 1 8 8 LYS CE C 13 42.262 0.000 . 1 . . . . . 8 LYS CE . 52988 1
89 . 1 . 1 8 8 LYS N N 15 116.965 0.000 . 1 . . . . . 8 LYS N . 52988 1
90 . 1 . 1 9 9 TRP H H 1 8.635 0.001 . 1 . . . . . 9 TRP H . 52988 1
91 . 1 . 1 9 9 TRP HA H 1 5.146 0.002 . 1 . . . . . 9 TRP HA . 52988 1
92 . 1 . 1 9 9 TRP HB2 H 1 3.257 0.001 . 2 . . . . . 9 TRP HB2 . 52988 1
93 . 1 . 1 9 9 TRP HB3 H 1 2.965 0.003 . 2 . . . . . 9 TRP HB3 . 52988 1
94 . 1 . 1 9 9 TRP HD1 H 1 7.292 0.003 . 1 . . . . . 9 TRP HD1 . 52988 1
95 . 1 . 1 9 9 TRP HE1 H 1 9.946 0.002 . 1 . . . . . 9 TRP HE1 . 52988 1
96 . 1 . 1 9 9 TRP HE3 H 1 7.307 0.001 . 1 . . . . . 9 TRP HE3 . 52988 1
97 . 1 . 1 9 9 TRP HZ2 H 1 7.270 0.002 . 1 . . . . . 9 TRP HZ2 . 52988 1
98 . 1 . 1 9 9 TRP HZ3 H 1 7.096 0.001 . 1 . . . . . 9 TRP HZ3 . 52988 1
99 . 1 . 1 9 9 TRP HH2 H 1 7.190 0.002 . 1 . . . . . 9 TRP HH2 . 52988 1
100 . 1 . 1 9 9 TRP CA C 13 57.361 0.000 . 1 . . . . . 9 TRP CA . 52988 1
101 . 1 . 1 9 9 TRP CB C 13 29.856 0.004 . 1 . . . . . 9 TRP CB . 52988 1
102 . 1 . 1 9 9 TRP CD1 C 13 127.923 0.000 . 1 . . . . . 9 TRP CD1 . 52988 1
103 . 1 . 1 9 9 TRP CE3 C 13 120.003 0.000 . 1 . . . . . 9 TRP CE3 . 52988 1
104 . 1 . 1 9 9 TRP CZ2 C 13 115.257 0.000 . 1 . . . . . 9 TRP CZ2 . 52988 1
105 . 1 . 1 9 9 TRP CZ3 C 13 122.171 0.000 . 1 . . . . . 9 TRP CZ3 . 52988 1
106 . 1 . 1 9 9 TRP CH2 C 13 124.689 0.000 . 1 . . . . . 9 TRP CH2 . 52988 1
107 . 1 . 1 9 9 TRP N N 15 123.694 0.000 . 1 . . . . . 9 TRP N . 52988 1
108 . 1 . 1 9 9 TRP NE1 N 15 129.564 0.000 . 1 . . . . . 9 TRP NE1 . 52988 1
109 . 1 . 1 10 10 THR H H 1 9.804 0.002 . 1 . . . . . 10 THR H . 52988 1
110 . 1 . 1 10 10 THR HA H 1 4.892 0.001 . 1 . . . . . 10 THR HA . 52988 1
111 . 1 . 1 10 10 THR HB H 1 4.045 0.002 . 1 . . . . . 10 THR HB . 52988 1
112 . 1 . 1 10 10 THR HG21 H 1 1.191 0.002 . 1 . . . . . 10 THR HG2 . 52988 1
113 . 1 . 1 10 10 THR HG22 H 1 1.191 0.002 . 1 . . . . . 10 THR HG2 . 52988 1
114 . 1 . 1 10 10 THR HG23 H 1 1.191 0.002 . 1 . . . . . 10 THR HG2 . 52988 1
115 . 1 . 1 10 10 THR CB C 13 71.871 0.000 . 1 . . . . . 10 THR CB . 52988 1
116 . 1 . 1 10 10 THR CG2 C 13 20.836 0.000 . 1 . . . . . 10 THR CG2 . 52988 1
117 . 1 . 1 10 10 THR N N 15 121.973 0.000 . 1 . . . . . 10 THR N . 52988 1
118 . 1 . 1 11 11 TRP H H 1 9.033 0.002 . 1 . . . . . 11 TRP H . 52988 1
119 . 1 . 1 11 11 TRP HA H 1 4.266 0.003 . 1 . . . . . 11 TRP HA . 52988 1
120 . 1 . 1 11 11 TRP HB2 H 1 2.774 0.002 . 2 . . . . . 11 TRP HB2 . 52988 1
121 . 1 . 1 11 11 TRP HB3 H 1 2.118 0.003 . 2 . . . . . 11 TRP HB3 . 52988 1
122 . 1 . 1 11 11 TRP HD1 H 1 6.820 0.002 . 1 . . . . . 11 TRP HD1 . 52988 1
123 . 1 . 1 11 11 TRP HE1 H 1 10.004 0.000 . 1 . . . . . 11 TRP HE1 . 52988 1
124 . 1 . 1 11 11 TRP HE3 H 1 5.320 0.003 . 1 . . . . . 11 TRP HE3 . 52988 1
125 . 1 . 1 11 11 TRP HZ2 H 1 7.388 0.002 . 1 . . . . . 11 TRP HZ2 . 52988 1
126 . 1 . 1 11 11 TRP HZ3 H 1 6.549 0.001 . 1 . . . . . 11 TRP HZ3 . 52988 1
127 . 1 . 1 11 11 TRP HH2 H 1 7.091 0.002 . 1 . . . . . 11 TRP HH2 . 52988 1
128 . 1 . 1 11 11 TRP CA C 13 57.077 0.000 . 1 . . . . . 11 TRP CA . 52988 1
129 . 1 . 1 11 11 TRP CB C 13 28.730 0.002 . 1 . . . . . 11 TRP CB . 52988 1
130 . 1 . 1 11 11 TRP CD1 C 13 127.834 0.000 . 1 . . . . . 11 TRP CD1 . 52988 1
131 . 1 . 1 11 11 TRP CE3 C 13 120.841 0.000 . 1 . . . . . 11 TRP CE3 . 52988 1
132 . 1 . 1 11 11 TRP CZ2 C 13 114.727 0.000 . 1 . . . . . 11 TRP CZ2 . 52988 1
133 . 1 . 1 11 11 TRP CZ3 C 13 120.459 0.000 . 1 . . . . . 11 TRP CZ3 . 52988 1
134 . 1 . 1 11 11 TRP CH2 C 13 124.014 0.000 . 1 . . . . . 11 TRP CH2 . 52988 1
135 . 1 . 1 11 11 TRP N N 15 129.310 0.000 . 1 . . . . . 11 TRP N . 52988 1
136 . 1 . 1 11 11 TRP NE1 N 15 129.986 0.000 . 1 . . . . . 11 TRP NE1 . 52988 1
137 . 1 . 1 12 12 LYS H H 1 7.617 0.002 . 1 . . . . . 12 LYS H . 52988 1
138 . 1 . 1 12 12 LYS HA H 1 4.154 0.001 . 1 . . . . . 12 LYS HA . 52988 1
139 . 1 . 1 12 12 LYS HB2 H 1 1.474 0.004 . 2 . . . . . 12 LYS HB2 . 52988 1
140 . 1 . 1 12 12 LYS HB3 H 1 1.355 0.005 . 2 . . . . . 12 LYS HB3 . 52988 1
141 . 1 . 1 12 12 LYS HG2 H 1 1.208 0.005 . 2 . . . . . 12 LYS HG2 . 52988 1
142 . 1 . 1 12 12 LYS HG3 H 1 1.127 0.004 . 2 . . . . . 12 LYS HG3 . 52988 1
143 . 1 . 1 12 12 LYS HD2 H 1 1.515 0.001 . 2 . . . . . 12 LYS HD2 . 52988 1
144 . 1 . 1 12 12 LYS HE2 H 1 2.845 0.003 . 2 . . . . . 12 LYS HE2 . 52988 1
145 . 1 . 1 12 12 LYS HE3 H 1 2.814 0.001 . 2 . . . . . 12 LYS HE3 . 52988 1
146 . 1 . 1 12 12 LYS CA C 13 54.345 0.000 . 1 . . . . . 12 LYS CA . 52988 1
147 . 1 . 1 12 12 LYS CB C 13 33.677 0.000 . 1 . . . . . 12 LYS CB . 52988 1
148 . 1 . 1 12 12 LYS CG C 13 24.494 0.005 . 1 . . . . . 12 LYS CG . 52988 1
149 . 1 . 1 12 12 LYS CD C 13 28.864 0.000 . 1 . . . . . 12 LYS CD . 52988 1
150 . 1 . 1 12 12 LYS CE C 13 42.044 0.001 . 1 . . . . . 12 LYS CE . 52988 1
151 . 1 . 1 12 12 LYS N N 15 128.710 0.000 . 1 . . . . . 12 LYS N . 52988 1
152 . 1 . 1 13 13 NH2 HN1 H 1 6.680 0.000 . 2 . . . . . 13 NH2 H1 . 52988 1
153 . 1 . 1 13 13 NH2 HN2 H 1 7.378 0.000 . 2 . . . . . 13 NH2 H2 . 52988 1
154 . 1 . 1 13 13 NH2 N N 15 109.949 0.001 . 1 . . . . . 13 NH2 N . 52988 1
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