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 52986
_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' . . . 52986 1
2 '2D 1H-15N HSQC' . . . 52986 1
3 '2D 1H-13C HSQC aliphatic' . . . 52986 1
4 '2D 1H-13C HSQC aromatic' . . . 52986 1
5 '2D 1H-1H TOCSY' . . . 52986 1
6 '2D 1H-1H COSY' . . . 52986 1
7 '2D 1H-1H NOESY' . . . 52986 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 . . 52986 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 3.626 0.002 . 1 . . . . . 1 SER HA . 52986 1
2 . 1 . 1 1 1 SER HB3 H 1 3.833 0.000 . 2 . . . . . 1 SER HB3 . 52986 1
3 . 1 . 1 1 1 SER CA C 13 57.345 0.000 . 1 . . . . . 1 SER CA . 52986 1
4 . 1 . 1 1 1 SER CB C 13 62.522 0.000 . 1 . . . . . 1 SER CB . 52986 1
5 . 1 . 1 2 2 TRP H H 1 8.915 0.001 . 1 . . . . . 2 TRP H . 52986 1
6 . 1 . 1 2 2 TRP HA H 1 5.289 0.002 . 1 . . . . . 2 TRP HA . 52986 1
7 . 1 . 1 2 2 TRP HB2 H 1 3.453 0.002 . 2 . . . . . 2 TRP HB2 . 52986 1
8 . 1 . 1 2 2 TRP HB3 H 1 3.118 0.002 . 2 . . . . . 2 TRP HB3 . 52986 1
9 . 1 . 1 2 2 TRP HD1 H 1 7.453 0.002 . 1 . . . . . 2 TRP HD1 . 52986 1
10 . 1 . 1 2 2 TRP HE1 H 1 10.305 0.001 . 1 . . . . . 2 TRP HE1 . 52986 1
11 . 1 . 1 2 2 TRP HE3 H 1 7.607 0.002 . 1 . . . . . 2 TRP HE3 . 52986 1
12 . 1 . 1 2 2 TRP HZ2 H 1 7.433 0.005 . 1 . . . . . 2 TRP HZ2 . 52986 1
13 . 1 . 1 2 2 TRP HZ3 H 1 7.248 0.001 . 1 . . . . . 2 TRP HZ3 . 52986 1
14 . 1 . 1 2 2 TRP HH2 H 1 7.310 0.001 . 1 . . . . . 2 TRP HH2 . 52986 1
15 . 1 . 1 2 2 TRP CA C 13 57.320 0.000 . 1 . . . . . 2 TRP CA . 52986 1
16 . 1 . 1 2 2 TRP CB C 13 30.034 0.001 . 1 . . . . . 2 TRP CB . 52986 1
17 . 1 . 1 2 2 TRP CD1 C 13 127.767 0.000 . 1 . . . . . 2 TRP CD1 . 52986 1
18 . 1 . 1 2 2 TRP CE3 C 13 120.349 0.000 . 1 . . . . . 2 TRP CE3 . 52986 1
19 . 1 . 1 2 2 TRP CZ2 C 13 115.166 0.000 . 1 . . . . . 2 TRP CZ2 . 52986 1
20 . 1 . 1 2 2 TRP CZ3 C 13 122.697 0.000 . 1 . . . . . 2 TRP CZ3 . 52986 1
21 . 1 . 1 2 2 TRP CH2 C 13 124.894 0.000 . 1 . . . . . 2 TRP CH2 . 52986 1
22 . 1 . 1 2 2 TRP N N 15 123.595 0.000 . 1 . . . . . 2 TRP N . 52986 1
23 . 1 . 1 2 2 TRP NE1 N 15 129.859 0.000 . 1 . . . . . 2 TRP NE1 . 52986 1
24 . 1 . 1 3 3 THR H H 1 9.698 0.001 . 1 . . . . . 3 THR H . 52986 1
25 . 1 . 1 3 3 THR HA H 1 4.898 0.003 . 1 . . . . . 3 THR HA . 52986 1
26 . 1 . 1 3 3 THR HB H 1 3.933 0.001 . 1 . . . . . 3 THR HB . 52986 1
27 . 1 . 1 3 3 THR HG21 H 1 1.169 0.002 . 1 . . . . . 3 THR HG2 . 52986 1
28 . 1 . 1 3 3 THR HG22 H 1 1.169 0.002 . 1 . . . . . 3 THR HG2 . 52986 1
29 . 1 . 1 3 3 THR HG23 H 1 1.169 0.002 . 1 . . . . . 3 THR HG2 . 52986 1
30 . 1 . 1 3 3 THR CA C 13 61.322 0.000 . 1 . . . . . 3 THR CA . 52986 1
31 . 1 . 1 3 3 THR CB C 13 71.947 0.000 . 1 . . . . . 3 THR CB . 52986 1
32 . 1 . 1 3 3 THR CG2 C 13 21.133 0.000 . 1 . . . . . 3 THR CG2 . 52986 1
33 . 1 . 1 3 3 THR N N 15 120.748 0.000 . 1 . . . . . 3 THR N . 52986 1
34 . 1 . 1 4 4 TRP H H 1 8.963 0.001 . 1 . . . . . 4 TRP H . 52986 1
35 . 1 . 1 4 4 TRP HA H 1 4.544 0.003 . 1 . . . . . 4 TRP HA . 52986 1
36 . 1 . 1 4 4 TRP HB2 H 1 2.904 0.001 . 2 . . . . . 4 TRP HB2 . 52986 1
37 . 1 . 1 4 4 TRP HB3 H 1 1.932 0.001 . 2 . . . . . 4 TRP HB3 . 52986 1
38 . 1 . 1 4 4 TRP HD1 H 1 6.705 0.009 . 1 . . . . . 4 TRP HD1 . 52986 1
39 . 1 . 1 4 4 TRP HE1 H 1 9.837 0.000 . 1 . . . . . 4 TRP HE1 . 52986 1
40 . 1 . 1 4 4 TRP HE3 H 1 5.483 0.003 . 1 . . . . . 4 TRP HE3 . 52986 1
41 . 1 . 1 4 4 TRP HZ2 H 1 7.226 0.001 . 1 . . . . . 4 TRP HZ2 . 52986 1
42 . 1 . 1 4 4 TRP HZ3 H 1 6.404 0.003 . 1 . . . . . 4 TRP HZ3 . 52986 1
43 . 1 . 1 4 4 TRP HH2 H 1 6.934 0.003 . 1 . . . . . 4 TRP HH2 . 52986 1
44 . 1 . 1 4 4 TRP CA C 13 56.924 0.000 . 1 . . . . . 4 TRP CA . 52986 1
45 . 1 . 1 4 4 TRP CB C 13 28.334 0.001 . 1 . . . . . 4 TRP CB . 52986 1
46 . 1 . 1 4 4 TRP CD1 C 13 127.127 0.000 . 1 . . . . . 4 TRP CD1 . 52986 1
47 . 1 . 1 4 4 TRP CE3 C 13 119.907 0.000 . 1 . . . . . 4 TRP CE3 . 52986 1
48 . 1 . 1 4 4 TRP CZ2 C 13 113.574 0.000 . 1 . . . . . 4 TRP CZ2 . 52986 1
49 . 1 . 1 4 4 TRP CZ3 C 13 121.302 0.000 . 1 . . . . . 4 TRP CZ3 . 52986 1
50 . 1 . 1 4 4 TRP CH2 C 13 124.803 0.000 . 1 . . . . . 4 TRP CH2 . 52986 1
51 . 1 . 1 4 4 TRP N N 15 130.067 0.000 . 1 . . . . . 4 TRP N . 52986 1
52 . 1 . 1 4 4 TRP NE1 N 15 127.953 0.000 . 1 . . . . . 4 TRP NE1 . 52986 1
53 . 1 . 1 5 5 GLU H H 1 8.371 0.001 . 1 . . . . . 5 GLU H . 52986 1
54 . 1 . 1 5 5 GLU HA H 1 4.333 0.001 . 1 . . . . . 5 GLU HA . 52986 1
55 . 1 . 1 5 5 GLU HB2 H 1 1.926 0.001 . 2 . . . . . 5 GLU HB2 . 52986 1
56 . 1 . 1 5 5 GLU HB3 H 1 1.780 0.002 . 2 . . . . . 5 GLU HB3 . 52986 1
57 . 1 . 1 5 5 GLU HG2 H 1 2.235 0.002 . 2 . . . . . 5 GLU HG2 . 52986 1
58 . 1 . 1 5 5 GLU HG3 H 1 2.191 0.003 . 2 . . . . . 5 GLU HG3 . 52986 1
59 . 1 . 1 5 5 GLU CA C 13 54.999 0.000 . 1 . . . . . 5 GLU CA . 52986 1
60 . 1 . 1 5 5 GLU CB C 13 31.376 0.007 . 1 . . . . . 5 GLU CB . 52986 1
61 . 1 . 1 5 5 GLU CG C 13 33.441 0.000 . 1 . . . . . 5 GLU CG . 52986 1
62 . 1 . 1 5 5 GLU N N 15 127.867 0.000 . 1 . . . . . 5 GLU N . 52986 1
63 . 1 . 1 6 6 ASN H H 1 9.031 0.001 . 1 . . . . . 6 ASN H . 52986 1
64 . 1 . 1 6 6 ASN HA H 1 4.118 0.001 . 1 . . . . . 6 ASN HA . 52986 1
65 . 1 . 1 6 6 ASN HB2 H 1 2.865 0.001 . 2 . . . . . 6 ASN HB2 . 52986 1
66 . 1 . 1 6 6 ASN HB3 H 1 2.592 0.002 . 2 . . . . . 6 ASN HB3 . 52986 1
67 . 1 . 1 6 6 ASN HD21 H 1 7.557 0.001 . 2 . . . . . 6 ASN HD21 . 52986 1
68 . 1 . 1 6 6 ASN HD22 H 1 6.864 0.003 . 2 . . . . . 6 ASN HD22 . 52986 1
69 . 1 . 1 6 6 ASN CA C 13 53.970 0.000 . 1 . . . . . 6 ASN CA . 52986 1
70 . 1 . 1 6 6 ASN CB C 13 37.464 0.001 . 1 . . . . . 6 ASN CB . 52986 1
71 . 1 . 1 6 6 ASN N N 15 121.904 0.000 . 1 . . . . . 6 ASN N . 52986 1
72 . 1 . 1 6 6 ASN ND2 N 15 113.256 0.013 . 1 . . . . . 6 ASN ND2 . 52986 1
73 . 1 . 1 7 7 GLY H H 1 7.270 0.001 . 1 . . . . . 7 GLY H . 52986 1
74 . 1 . 1 7 7 GLY HA2 H 1 3.744 0.003 . 2 . . . . . 7 GLY HA2 . 52986 1
75 . 1 . 1 7 7 GLY HA3 H 1 3.129 0.002 . 2 . . . . . 7 GLY HA3 . 52986 1
76 . 1 . 1 7 7 GLY CA C 13 45.880 0.001 . 1 . . . . . 7 GLY CA . 52986 1
77 . 1 . 1 7 7 GLY N N 15 101.525 0.000 . 1 . . . . . 7 GLY N . 52986 1
78 . 1 . 1 8 8 LYS H H 1 6.614 0.001 . 1 . . . . . 8 LYS H . 52986 1
79 . 1 . 1 8 8 LYS HA H 1 4.085 0.004 . 1 . . . . . 8 LYS HA . 52986 1
80 . 1 . 1 8 8 LYS HB2 H 1 1.650 0.003 . 2 . . . . . 8 LYS HB2 . 52986 1
81 . 1 . 1 8 8 LYS HB3 H 1 1.548 0.002 . 2 . . . . . 8 LYS HB3 . 52986 1
82 . 1 . 1 8 8 LYS HG2 H 1 1.220 0.002 . 2 . . . . . 8 LYS HG2 . 52986 1
83 . 1 . 1 8 8 LYS HG3 H 1 1.139 0.003 . 2 . . . . . 8 LYS HG3 . 52986 1
84 . 1 . 1 8 8 LYS HD3 H 1 1.616 0.001 . 2 . . . . . 8 LYS HD3 . 52986 1
85 . 1 . 1 8 8 LYS HE3 H 1 2.983 0.002 . 2 . . . . . 8 LYS HE3 . 52986 1
86 . 1 . 1 8 8 LYS CA C 13 54.546 0.000 . 1 . . . . . 8 LYS CA . 52986 1
87 . 1 . 1 8 8 LYS CB C 13 35.649 0.001 . 1 . . . . . 8 LYS CB . 52986 1
88 . 1 . 1 8 8 LYS CG C 13 23.365 0.001 . 1 . . . . . 8 LYS CG . 52986 1
89 . 1 . 1 8 8 LYS CD C 13 29.227 0.000 . 1 . . . . . 8 LYS CD . 52986 1
90 . 1 . 1 8 8 LYS CE C 13 42.254 0.000 . 1 . . . . . 8 LYS CE . 52986 1
91 . 1 . 1 8 8 LYS N N 15 116.948 0.000 . 1 . . . . . 8 LYS N . 52986 1
92 . 1 . 1 9 9 4FW H H 1 8.426 0.001 . 1 . . . . . 9 4FW H . 52986 1
93 . 1 . 1 9 9 4FW HA H 1 4.937 0.004 . 1 . . . . . 9 4FW HA . 52986 1
94 . 1 . 1 9 9 4FW HB2 H 1 3.386 0.001 . 2 . . . . . 9 4FW HB2 . 52986 1
95 . 1 . 1 9 9 4FW HB3 H 1 3.011 0.002 . 2 . . . . . 9 4FW HB3 . 52986 1
96 . 1 . 1 9 9 4FW HD1 H 1 7.281 0.002 . 1 . . . . . 9 4FW HD1 . 52986 1
97 . 1 . 1 9 9 4FW HE1 H 1 10.219 0.000 . 1 . . . . . 9 4FW HE1 . 52986 1
98 . 1 . 1 9 9 4FW HZ2 H 1 7.054 0.003 . 1 . . . . . 9 4FW HZ2 . 52986 1
99 . 1 . 1 9 9 4FW HZ3 H 1 6.877 0.002 . 1 . . . . . 9 4FW HZ3 . 52986 1
100 . 1 . 1 9 9 4FW HH2 H 1 7.103 0.001 . 1 . . . . . 9 4FW HH2 . 52986 1
101 . 1 . 1 9 9 4FW CA C 13 59.071 0.000 . 1 . . . . . 9 4FW CA . 52986 1
102 . 1 . 1 9 9 4FW CB C 13 30.578 0.002 . 1 . . . . . 9 4FW CB . 52986 1
103 . 1 . 1 9 9 4FW CD1 C 13 128.086 0.000 . 1 . . . . . 9 4FW CD1 . 52986 1
104 . 1 . 1 9 9 4FW CZ2 C 13 111.510 0.000 . 1 . . . . . 9 4FW CZ2 . 52986 1
105 . 1 . 1 9 9 4FW CZ3 C 13 106.920 0.000 . 1 . . . . . 9 4FW CZ3 . 52986 1
106 . 1 . 1 9 9 4FW CH2 C 13 125.196 0.000 . 1 . . . . . 9 4FW CH2 . 52986 1
107 . 1 . 1 9 9 4FW N N 15 122.964 0.000 . 1 . . . . . 9 4FW N . 52986 1
108 . 1 . 1 9 9 4FW NE1 N 15 132.231 0.000 . 1 . . . . . 9 4FW NE1 . 52986 1
109 . 1 . 1 10 10 THR H H 1 9.492 0.001 . 1 . . . . . 10 THR H . 52986 1
110 . 1 . 1 10 10 THR HA H 1 4.889 0.002 . 1 . . . . . 10 THR HA . 52986 1
111 . 1 . 1 10 10 THR HB H 1 4.179 0.009 . 1 . . . . . 10 THR HB . 52986 1
112 . 1 . 1 10 10 THR HG21 H 1 1.203 0.002 . 1 . . . . . 10 THR HG2 . 52986 1
113 . 1 . 1 10 10 THR HG22 H 1 1.203 0.002 . 1 . . . . . 10 THR HG2 . 52986 1
114 . 1 . 1 10 10 THR HG23 H 1 1.203 0.002 . 1 . . . . . 10 THR HG2 . 52986 1
115 . 1 . 1 10 10 THR CA C 13 62.077 0.000 . 1 . . . . . 10 THR CA . 52986 1
116 . 1 . 1 10 10 THR CB C 13 71.768 0.000 . 1 . . . . . 10 THR CB . 52986 1
117 . 1 . 1 10 10 THR CG2 C 13 20.974 0.000 . 1 . . . . . 10 THR CG2 . 52986 1
118 . 1 . 1 10 10 THR N N 15 122.091 0.000 . 1 . . . . . 10 THR N . 52986 1
119 . 1 . 1 11 11 TRP H H 1 9.069 0.001 . 1 . . . . . 11 TRP H . 52986 1
120 . 1 . 1 11 11 TRP HA H 1 4.311 0.003 . 1 . . . . . 11 TRP HA . 52986 1
121 . 1 . 1 11 11 TRP HB2 H 1 2.756 0.001 . 2 . . . . . 11 TRP HB2 . 52986 1
122 . 1 . 1 11 11 TRP HB3 H 1 2.046 0.001 . 2 . . . . . 11 TRP HB3 . 52986 1
123 . 1 . 1 11 11 TRP HD1 H 1 6.810 0.002 . 1 . . . . . 11 TRP HD1 . 52986 1
124 . 1 . 1 11 11 TRP HE1 H 1 10.007 0.000 . 1 . . . . . 11 TRP HE1 . 52986 1
125 . 1 . 1 11 11 TRP HE3 H 1 5.300 0.002 . 1 . . . . . 11 TRP HE3 . 52986 1
126 . 1 . 1 11 11 TRP HZ2 H 1 7.399 0.002 . 1 . . . . . 11 TRP HZ2 . 52986 1
127 . 1 . 1 11 11 TRP HZ3 H 1 6.595 0.002 . 1 . . . . . 11 TRP HZ3 . 52986 1
128 . 1 . 1 11 11 TRP HH2 H 1 7.109 0.002 . 1 . . . . . 11 TRP HH2 . 52986 1
129 . 1 . 1 11 11 TRP CA C 13 56.944 0.000 . 1 . . . . . 11 TRP CA . 52986 1
130 . 1 . 1 11 11 TRP CB C 13 28.631 0.003 . 1 . . . . . 11 TRP CB . 52986 1
131 . 1 . 1 11 11 TRP CD1 C 13 127.784 0.000 . 1 . . . . . 11 TRP CD1 . 52986 1
132 . 1 . 1 11 11 TRP CE3 C 13 120.939 0.000 . 1 . . . . . 11 TRP CE3 . 52986 1
133 . 1 . 1 11 11 TRP CZ2 C 13 114.769 0.000 . 1 . . . . . 11 TRP CZ2 . 52986 1
134 . 1 . 1 11 11 TRP CZ3 C 13 120.351 0.000 . 1 . . . . . 11 TRP CZ3 . 52986 1
135 . 1 . 1 11 11 TRP CH2 C 13 123.990 0.000 . 1 . . . . . 11 TRP CH2 . 52986 1
136 . 1 . 1 11 11 TRP N N 15 129.226 0.000 . 1 . . . . . 11 TRP N . 52986 1
137 . 1 . 1 11 11 TRP NE1 N 15 129.948 0.000 . 1 . . . . . 11 TRP NE1 . 52986 1
138 . 1 . 1 12 12 LYS H H 1 7.579 0.001 . 1 . . . . . 12 LYS H . 52986 1
139 . 1 . 1 12 12 LYS HA H 1 4.146 0.002 . 1 . . . . . 12 LYS HA . 52986 1
140 . 1 . 1 12 12 LYS HB2 H 1 1.476 0.003 . 2 . . . . . 12 LYS HB2 . 52986 1
141 . 1 . 1 12 12 LYS HB3 H 1 1.370 0.002 . 2 . . . . . 12 LYS HB3 . 52986 1
142 . 1 . 1 12 12 LYS HG2 H 1 1.216 0.002 . 2 . . . . . 12 LYS HG2 . 52986 1
143 . 1 . 1 12 12 LYS HG3 H 1 1.148 0.002 . 2 . . . . . 12 LYS HG3 . 52986 1
144 . 1 . 1 12 12 LYS HD3 H 1 1.520 0.002 . 2 . . . . . 12 LYS HD3 . 52986 1
145 . 1 . 1 12 12 LYS HE3 H 1 2.829 0.001 . 2 . . . . . 12 LYS HE3 . 52986 1
146 . 1 . 1 12 12 LYS CA C 13 54.247 0.000 . 1 . . . . . 12 LYS CA . 52986 1
147 . 1 . 1 12 12 LYS CB C 13 33.702 0.002 . 1 . . . . . 12 LYS CB . 52986 1
148 . 1 . 1 12 12 LYS CG C 13 24.421 0.004 . 1 . . . . . 12 LYS CG . 52986 1
149 . 1 . 1 12 12 LYS CD C 13 28.810 0.000 . 1 . . . . . 12 LYS CD . 52986 1
150 . 1 . 1 12 12 LYS CE C 13 42.029 0.000 . 1 . . . . . 12 LYS CE . 52986 1
151 . 1 . 1 12 12 LYS N N 15 128.629 0.000 . 1 . . . . . 12 LYS N . 52986 1
152 . 1 . 1 13 13 NH2 HN1 H 1 7.359 0.001 . 2 . . . . . 13 NH2 H1 . 52986 1
153 . 1 . 1 13 13 NH2 HN2 H 1 6.651 0.002 . 2 . . . . . 13 NH2 H2 . 52986 1
154 . 1 . 1 13 13 NH2 N N 15 109.625 0.011 . 1 . . . . . 13 NH2 N . 52986 1
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