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 30892
_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' . . . 30892 1
2 '2D 1H-1H NOESY' . . . 30892 1
3 '2D 1H-13C HSQC' . . . 30892 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 2 2 ILE H H 1 9.3499 . . . . . . . A 2 ILE H . 30892 1
2 . 1 . 1 2 2 ILE HA H 1 3.9290 . . . . . . . A 2 ILE HA . 30892 1
3 . 1 . 1 2 2 ILE HB H 1 1.9216 . . . . . . . A 2 ILE HB . 30892 1
4 . 1 . 1 2 2 ILE HG12 H 1 1.3146 . . . . . . . A 2 ILE HG12 . 30892 1
5 . 1 . 1 2 2 ILE HG13 H 1 1.5796 . . . . . . . A 2 ILE HG13 . 30892 1
6 . 1 . 1 2 2 ILE HG21 H 1 0.9699 . . . . . . . A 2 ILE HG21 . 30892 1
7 . 1 . 1 2 2 ILE HG22 H 1 0.9699 . . . . . . . A 2 ILE HG22 . 30892 1
8 . 1 . 1 2 2 ILE HG23 H 1 0.9699 . . . . . . . A 2 ILE HG23 . 30892 1
9 . 1 . 1 2 2 ILE CA C 13 63.7203 . . . . . . . A 2 ILE CA . 30892 1
10 . 1 . 1 2 2 ILE CB C 13 38.1678 . . . . . . . A 2 ILE CB . 30892 1
11 . 1 . 1 2 2 ILE CG2 C 13 17.9174 . . . . . . . A 2 ILE CG2 . 30892 1
12 . 1 . 1 3 3 LEU H H 1 8.6805 . . . . . . . A 3 LEU H . 30892 1
13 . 1 . 1 3 3 LEU HA H 1 4.0803 . . . . . . . A 3 LEU HA . 30892 1
14 . 1 . 1 3 3 LEU HB2 H 1 1.7134 . . . . . . . A 3 LEU HB2 . 30892 1
15 . 1 . 1 3 3 LEU HB3 H 1 1.7134 . . . . . . . A 3 LEU HB3 . 30892 1
16 . 1 . 1 3 3 LEU HG H 1 1.5771 . . . . . . . A 3 LEU HG . 30892 1
17 . 1 . 1 3 3 LEU CA C 13 57.8123 . . . . . . . A 3 LEU CA . 30892 1
18 . 1 . 1 3 3 LEU CB C 13 41.1922 . . . . . . . A 3 LEU CB . 30892 1
19 . 1 . 1 3 3 LEU CG C 13 28.9717 . . . . . . . A 3 LEU CG . 30892 1
20 . 1 . 1 4 4 ASP H H 1 7.7376 . . . . . . . A 4 ASP H . 30892 1
21 . 1 . 1 4 4 ASP HA H 1 4.4951 . . . . . . . A 4 ASP HA . 30892 1
22 . 1 . 1 4 4 ASP HB2 H 1 2.9400 . . . . . . . A 4 ASP HB2 . 30892 1
23 . 1 . 1 4 4 ASP HB3 H 1 2.7806 . . . . . . . A 4 ASP HB3 . 30892 1
24 . 1 . 1 4 4 ASP CA C 13 56.2591 . . . . . . . A 4 ASP CA . 30892 1
25 . 1 . 1 4 4 ASP CB C 13 42.0538 . . . . . . . A 4 ASP CB . 30892 1
26 . 1 . 1 5 5 ILE H H 1 7.7845 . . . . . . . A 5 ILE H . 30892 1
27 . 1 . 1 5 5 ILE HA H 1 3.7478 . . . . . . . A 5 ILE HA . 30892 1
28 . 1 . 1 5 5 ILE HB H 1 2.0375 . . . . . . . A 5 ILE HB . 30892 1
29 . 1 . 1 5 5 ILE HG21 H 1 0.8952 . . . . . . . A 5 ILE HG21 . 30892 1
30 . 1 . 1 5 5 ILE HG22 H 1 0.8952 . . . . . . . A 5 ILE HG22 . 30892 1
31 . 1 . 1 5 5 ILE HG23 H 1 0.8952 . . . . . . . A 5 ILE HG23 . 30892 1
32 . 1 . 1 5 5 ILE CA C 13 64.3644 . . . . . . . A 5 ILE CA . 30892 1
33 . 1 . 1 5 5 ILE CB C 13 37.8263 . . . . . . . A 5 ILE CB . 30892 1
34 . 1 . 1 5 5 ILE CG2 C 13 17.6864 . . . . . . . A 5 ILE CG2 . 30892 1
35 . 1 . 1 6 6 LYS H H 1 8.4032 . . . . . . . A 6 LYS H . 30892 1
36 . 1 . 1 6 6 LYS HA H 1 3.7676 . . . . . . . A 6 LYS HA . 30892 1
37 . 1 . 1 6 6 LYS HB2 H 1 2.0140 . . . . . . . A 6 LYS HB2 . 30892 1
38 . 1 . 1 6 6 LYS HB3 H 1 2.0140 . . . . . . . A 6 LYS HB3 . 30892 1
39 . 1 . 1 6 6 LYS HG2 H 1 1.5196 . . . . . . . A 6 LYS HG2 . 30892 1
40 . 1 . 1 6 6 LYS HG3 H 1 1.5196 . . . . . . . A 6 LYS HG3 . 30892 1
41 . 1 . 1 6 6 LYS HD2 H 1 1.7414 . . . . . . . A 6 LYS HD2 . 30892 1
42 . 1 . 1 6 6 LYS HD3 H 1 1.8635 . . . . . . . A 6 LYS HD3 . 30892 1
43 . 1 . 1 6 6 LYS HE2 H 1 2.8630 . . . . . . . A 6 LYS HE2 . 30892 1
44 . 1 . 1 6 6 LYS HE3 H 1 2.8630 . . . . . . . A 6 LYS HE3 . 30892 1
45 . 1 . 1 6 6 LYS CA C 13 60.9108 . . . . . . . A 6 LYS CA . 30892 1
46 . 1 . 1 6 6 LYS CB C 13 32.5827 . . . . . . . A 6 LYS CB . 30892 1
47 . 1 . 1 6 6 LYS CG C 13 25.3508 . . . . . . . A 6 LYS CG . 30892 1
48 . 1 . 1 6 6 LYS CD C 13 27.1102 . . . . . . . A 6 LYS CD . 30892 1
49 . 1 . 1 7 7 ASN H H 1 8.2007 . . . . . . . A 7 ASN H . 30892 1
50 . 1 . 1 7 7 ASN HA H 1 4.4839 . . . . . . . A 7 ASN HA . 30892 1
51 . 1 . 1 7 7 ASN HB2 H 1 2.9283 . . . . . . . A 7 ASN HB2 . 30892 1
52 . 1 . 1 7 7 ASN HB3 H 1 2.8459 . . . . . . . A 7 ASN HB3 . 30892 1
53 . 1 . 1 7 7 ASN HD21 H 1 7.7842 . . . . . . . A 7 ASN HD21 . 30892 1
54 . 1 . 1 7 7 ASN HD22 H 1 6.8971 . . . . . . . A 7 ASN HD22 . 30892 1
55 . 1 . 1 7 7 ASN CA C 13 55.9101 . . . . . . . A 7 ASN CA . 30892 1
56 . 1 . 1 7 7 ASN CB C 13 38.1981 . . . . . . . A 7 ASN CB . 30892 1
57 . 1 . 1 8 8 LYS H H 1 7.9763 . . . . . . . A 8 LYS H . 30892 1
58 . 1 . 1 8 8 LYS HA H 1 4.1705 . . . . . . . A 8 LYS HA . 30892 1
59 . 1 . 1 8 8 LYS HB2 H 1 2.0250 . . . . . . . A 8 LYS HB2 . 30892 1
60 . 1 . 1 8 8 LYS HB3 H 1 2.0250 . . . . . . . A 8 LYS HB3 . 30892 1
61 . 1 . 1 8 8 LYS HG2 H 1 1.5102 . . . . . . . A 8 LYS HG2 . 30892 1
62 . 1 . 1 8 8 LYS HG3 H 1 1.5102 . . . . . . . A 8 LYS HG3 . 30892 1
63 . 1 . 1 8 8 LYS HD2 H 1 1.8644 . . . . . . . A 8 LYS HD2 . 30892 1
64 . 1 . 1 8 8 LYS HD3 H 1 1.6714 . . . . . . . A 8 LYS HD3 . 30892 1
65 . 1 . 1 8 8 LYS HE2 H 1 2.9480 . . . . . . . A 8 LYS HE2 . 30892 1
66 . 1 . 1 8 8 LYS HE3 H 1 2.9480 . . . . . . . A 8 LYS HE3 . 30892 1
67 . 1 . 1 8 8 LYS CA C 13 59.5663 . . . . . . . A 8 LYS CA . 30892 1
68 . 1 . 1 8 8 LYS CB C 13 32.2367 . . . . . . . A 8 LYS CB . 30892 1
69 . 1 . 1 8 8 LYS CG C 13 25.6681 . . . . . . . A 8 LYS CG . 30892 1
70 . 1 . 1 8 8 LYS CD C 13 27.0941 . . . . . . . A 8 LYS CD . 30892 1
71 . 1 . 1 9 9 VAL H H 1 8.3581 . . . . . . . A 9 VAL H . 30892 1
72 . 1 . 1 9 9 VAL HA H 1 3.6497 . . . . . . . A 9 VAL HA . 30892 1
73 . 1 . 1 9 9 VAL HB H 1 2.1750 . . . . . . . A 9 VAL HB . 30892 1
74 . 1 . 1 9 9 VAL HG11 H 1 0.8985 . . . . . . . A 9 VAL HG11 . 30892 1
75 . 1 . 1 9 9 VAL HG12 H 1 0.8985 . . . . . . . A 9 VAL HG12 . 30892 1
76 . 1 . 1 9 9 VAL HG13 H 1 0.8985 . . . . . . . A 9 VAL HG13 . 30892 1
77 . 1 . 1 9 9 VAL HG21 H 1 1.0350 . . . . . . . A 9 VAL HG21 . 30892 1
78 . 1 . 1 9 9 VAL HG22 H 1 1.0350 . . . . . . . A 9 VAL HG22 . 30892 1
79 . 1 . 1 9 9 VAL HG23 H 1 1.0350 . . . . . . . A 9 VAL HG23 . 30892 1
80 . 1 . 1 9 9 VAL CA C 13 66.7352 . . . . . . . A 9 VAL CA . 30892 1
81 . 1 . 1 9 9 VAL CB C 13 31.4027 . . . . . . . A 9 VAL CB . 30892 1
82 . 1 . 1 9 9 VAL CG1 C 13 22.1070 . . . . . . . A 9 VAL CG1 . 30892 1
83 . 1 . 1 9 9 VAL CG2 C 13 22.9689 . . . . . . . A 9 VAL CG2 . 30892 1
84 . 1 . 1 10 10 SER H H 1 8.3724 . . . . . . . A 10 SER H . 30892 1
85 . 1 . 1 10 10 SER HA H 1 4.1364 . . . . . . . A 10 SER HA . 30892 1
86 . 1 . 1 10 10 SER HB2 H 1 4.0396 . . . . . . . A 10 SER HB2 . 30892 1
87 . 1 . 1 10 10 SER HB3 H 1 4.0015 . . . . . . . A 10 SER HB3 . 30892 1
88 . 1 . 1 10 10 SER CA C 13 58.5137 . . . . . . . A 10 SER CA . 30892 1
89 . 1 . 1 10 10 SER CB C 13 62.6223 . . . . . . . A 10 SER CB . 30892 1
90 . 1 . 1 11 11 ASN H H 1 8.1171 . . . . . . . A 11 ASN H . 30892 1
91 . 1 . 1 11 11 ASN HA H 1 4.5063 . . . . . . . A 11 ASN HA . 30892 1
92 . 1 . 1 11 11 ASN HB2 H 1 2.9700 . . . . . . . A 11 ASN HB2 . 30892 1
93 . 1 . 1 11 11 ASN HB3 H 1 2.8090 . . . . . . . A 11 ASN HB3 . 30892 1
94 . 1 . 1 11 11 ASN HD21 H 1 7.7049 . . . . . . . A 11 ASN HD21 . 30892 1
95 . 1 . 1 11 11 ASN HD22 H 1 6.9235 . . . . . . . A 11 ASN HD22 . 30892 1
96 . 1 . 1 11 11 ASN CA C 13 56.7733 . . . . . . . A 11 ASN CA . 30892 1
97 . 1 . 1 11 11 ASN CB C 13 38.5104 . . . . . . . A 11 ASN CB . 30892 1
98 . 1 . 1 12 12 LEU H H 1 8.0106 . . . . . . . A 12 LEU H . 30892 1
99 . 1 . 1 12 12 LEU HA H 1 4.1405 . . . . . . . A 12 LEU HA . 30892 1
100 . 1 . 1 12 12 LEU HB2 H 1 1.8459 . . . . . . . A 12 LEU HB2 . 30892 1
101 . 1 . 1 12 12 LEU HB3 H 1 1.8459 . . . . . . . A 12 LEU HB3 . 30892 1
102 . 1 . 1 12 12 LEU HG H 1 1.7564 . . . . . . . A 12 LEU HG . 30892 1
103 . 1 . 1 12 12 LEU CA C 13 57.8103 . . . . . . . A 12 LEU CA . 30892 1
104 . 1 . 1 12 12 LEU CB C 13 41.7989 . . . . . . . A 12 LEU CB . 30892 1
105 . 1 . 1 13 13 PHE H H 1 8.4054 . . . . . . . A 13 PHE H . 30892 1
106 . 1 . 1 13 13 PHE HA H 1 4.1910 . . . . . . . A 13 PHE HA . 30892 1
107 . 1 . 1 13 13 PHE HB2 H 1 3.2787 . . . . . . . A 13 PHE HB2 . 30892 1
108 . 1 . 1 13 13 PHE HB3 H 1 3.1809 . . . . . . . A 13 PHE HB3 . 30892 1
109 . 1 . 1 13 13 PHE HD1 H 1 7.2217 . . . . . . . A 13 PHE HD1 . 30892 1
110 . 1 . 1 13 13 PHE HD2 H 1 7.2217 . . . . . . . A 13 PHE HD2 . 30892 1
111 . 1 . 1 13 13 PHE HE1 H 1 7.2271 . . . . . . . A 13 PHE HE1 . 30892 1
112 . 1 . 1 13 13 PHE HE2 H 1 7.2271 . . . . . . . A 13 PHE HE2 . 30892 1
113 . 1 . 1 13 13 PHE HZ H 1 7.1965 . . . . . . . A 13 PHE HZ . 30892 1
114 . 1 . 1 13 13 PHE CA C 13 61.3644 . . . . . . . A 13 PHE CA . 30892 1
115 . 1 . 1 13 13 PHE CB C 13 38.9854 . . . . . . . A 13 PHE CB . 30892 1
116 . 1 . 1 13 13 PHE CD2 C 13 132.3416 . . . . . . . A 13 PHE CD2 . 30892 1
117 . 1 . 1 13 13 PHE CE2 C 13 131.4238 . . . . . . . A 13 PHE CE2 . 30892 1
118 . 1 . 1 13 13 PHE CZ C 13 129.6063 . . . . . . . A 13 PHE CZ . 30892 1
119 . 1 . 1 14 14 LYS H H 1 7.9581 . . . . . . . A 14 LYS H . 30892 1
120 . 1 . 1 14 14 LYS HA H 1 3.9142 . . . . . . . A 14 LYS HA . 30892 1
121 . 1 . 1 14 14 LYS HB2 H 1 1.9501 . . . . . . . A 14 LYS HB2 . 30892 1
122 . 1 . 1 14 14 LYS HB3 H 1 1.9501 . . . . . . . A 14 LYS HB3 . 30892 1
123 . 1 . 1 14 14 LYS HG2 H 1 1.5048 . . . . . . . A 14 LYS HG2 . 30892 1
124 . 1 . 1 14 14 LYS HG3 H 1 1.5048 . . . . . . . A 14 LYS HG3 . 30892 1
125 . 1 . 1 14 14 LYS HD2 H 1 1.7162 . . . . . . . A 14 LYS HD2 . 30892 1
126 . 1 . 1 14 14 LYS HD3 H 1 1.7162 . . . . . . . A 14 LYS HD3 . 30892 1
127 . 1 . 1 14 14 LYS HE2 H 1 2.9945 . . . . . . . A 14 LYS HE2 . 30892 1
128 . 1 . 1 14 14 LYS HE3 H 1 2.9945 . . . . . . . A 14 LYS HE3 . 30892 1
129 . 1 . 1 14 14 LYS CA C 13 59.4609 . . . . . . . A 14 LYS CA . 30892 1
130 . 1 . 1 14 14 LYS CB C 13 32.3187 . . . . . . . A 14 LYS CB . 30892 1
131 . 1 . 1 14 14 LYS CD C 13 27.0217 . . . . . . . A 14 LYS CD . 30892 1
132 . 1 . 1 15 15 LYS H H 1 7.7390 . . . . . . . A 15 LYS H . 30892 1
133 . 1 . 1 15 15 LYS HA H 1 4.1060 . . . . . . . A 15 LYS HA . 30892 1
134 . 1 . 1 15 15 LYS HB2 H 1 1.9880 . . . . . . . A 15 LYS HB2 . 30892 1
135 . 1 . 1 15 15 LYS HB3 H 1 1.9880 . . . . . . . A 15 LYS HB3 . 30892 1
136 . 1 . 1 15 15 LYS HG2 H 1 1.4695 . . . . . . . A 15 LYS HG2 . 30892 1
137 . 1 . 1 15 15 LYS HG3 H 1 1.4695 . . . . . . . A 15 LYS HG3 . 30892 1
138 . 1 . 1 15 15 LYS HD2 H 1 1.6808 . . . . . . . A 15 LYS HD2 . 30892 1
139 . 1 . 1 15 15 LYS HD3 H 1 1.6808 . . . . . . . A 15 LYS HD3 . 30892 1
140 . 1 . 1 15 15 LYS HE2 H 1 2.9480 . . . . . . . A 15 LYS HE2 . 30892 1
141 . 1 . 1 15 15 LYS HE3 H 1 2.9480 . . . . . . . A 15 LYS HE3 . 30892 1
142 . 1 . 1 15 15 LYS CA C 13 58.7375 . . . . . . . A 15 LYS CA . 30892 1
143 . 1 . 1 15 15 LYS CB C 13 32.7998 . . . . . . . A 15 LYS CB . 30892 1
144 . 1 . 1 16 16 ILE H H 1 7.7837 . . . . . . . A 16 ILE H . 30892 1
145 . 1 . 1 16 16 ILE HA H 1 3.8386 . . . . . . . A 16 ILE HA . 30892 1
146 . 1 . 1 16 16 ILE HB H 1 1.8749 . . . . . . . A 16 ILE HB . 30892 1
147 . 1 . 1 16 16 ILE HG12 H 1 1.2011 . . . . . . . A 16 ILE HG12 . 30892 1
148 . 1 . 1 16 16 ILE HG13 H 1 1.6731 . . . . . . . A 16 ILE HG13 . 30892 1
149 . 1 . 1 16 16 ILE HG21 H 1 0.8891 . . . . . . . A 16 ILE HG21 . 30892 1
150 . 1 . 1 16 16 ILE HG22 H 1 0.8891 . . . . . . . A 16 ILE HG22 . 30892 1
151 . 1 . 1 16 16 ILE HG23 H 1 0.8891 . . . . . . . A 16 ILE HG23 . 30892 1
152 . 1 . 1 16 16 ILE CA C 13 62.9899 . . . . . . . A 16 ILE CA . 30892 1
153 . 1 . 1 16 16 ILE CB C 13 38.5041 . . . . . . . A 16 ILE CB . 30892 1
154 . 1 . 1 16 16 ILE CG2 C 13 16.5007 . . . . . . . A 16 ILE CG2 . 30892 1
155 . 1 . 1 17 17 LYS H H 1 7.7745 . . . . . . . A 17 LYS H . 30892 1
156 . 1 . 1 17 17 LYS HA H 1 4.0100 . . . . . . . A 17 LYS HA . 30892 1
157 . 1 . 1 17 17 LYS HB2 H 1 1.8991 . . . . . . . A 17 LYS HB2 . 30892 1
158 . 1 . 1 17 17 LYS HB3 H 1 1.8991 . . . . . . . A 17 LYS HB3 . 30892 1
159 . 1 . 1 17 17 LYS HG2 H 1 1.3115 . . . . . . . A 17 LYS HG2 . 30892 1
160 . 1 . 1 17 17 LYS HG3 H 1 1.3115 . . . . . . . A 17 LYS HG3 . 30892 1
161 . 1 . 1 17 17 LYS HD2 H 1 1.6713 . . . . . . . A 17 LYS HD2 . 30892 1
162 . 1 . 1 17 17 LYS HD3 H 1 1.5748 . . . . . . . A 17 LYS HD3 . 30892 1
163 . 1 . 1 17 17 LYS HE2 H 1 2.8619 . . . . . . . A 17 LYS HE2 . 30892 1
164 . 1 . 1 17 17 LYS HE3 H 1 2.8619 . . . . . . . A 17 LYS HE3 . 30892 1
165 . 1 . 1 17 17 LYS CA C 13 60.7358 . . . . . . . A 17 LYS CA . 30892 1
166 . 1 . 1 17 17 LYS CB C 13 32.3879 . . . . . . . A 17 LYS CB . 30892 1
167 . 1 . 1 17 17 LYS CG C 13 24.6772 . . . . . . . A 17 LYS CG . 30892 1
168 . 1 . 1 17 17 LYS CD C 13 27.0827 . . . . . . . A 17 LYS CD . 30892 1
169 . 1 . 1 18 18 NH2 HN1 H 1 7.0464 . . . . . . . A 18 NH2 HN1 . 30892 1
170 . 1 . 1 18 18 NH2 HN2 H 1 7.3644 . . . . . . . A 18 NH2 HN2 . 30892 1
stop_
save_