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 51580
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name Q1E_pH74
_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 '3D HNCO' . . . 51580 1
2 '3D HN(CA)CO' . . . 51580 1
3 '3D HN(CO)CA' . . . 51580 1
4 '3D HNCA' . . . 51580 1
5 '3D HN(CO)CACB' . . . 51580 1
6 '2D CACO' . . . 51580 1
7 '2D CON' . . . 51580 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 . . 51580 1
2 $software_2 . . 51580 1
3 $software_3 . . 51580 1
4 $software_4 . . 51580 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 3 3 PRO C C 13 177.480 0.000 . 1 . . . . . 51 PRO C . 51580 1
2 . 1 . 1 3 3 PRO CA C 13 63.336 0.000 . 1 . . . . . 51 PRO CA . 51580 1
3 . 1 . 1 3 3 PRO CB C 13 32.116 0.000 . 1 . . . . . 51 PRO CB . 51580 1
4 . 1 . 1 4 4 GLY H H 1 8.668 0.002 . 1 . . . . . 52 GLY H . 51580 1
5 . 1 . 1 4 4 GLY C C 13 174.078 0.000 . 1 . . . . . 52 GLY C . 51580 1
6 . 1 . 1 4 4 GLY CA C 13 45.132 0.000 . 1 . . . . . 52 GLY CA . 51580 1
7 . 1 . 1 4 4 GLY N N 15 109.929 0.005 . 1 . . . . . 52 GLY N . 51580 1
8 . 1 . 1 5 5 ALA H H 1 8.324 0.001 . 1 . . . . . 53 ALA H . 51580 1
9 . 1 . 1 5 5 ALA C C 13 178.395 0.000 . 1 . . . . . 53 ALA C . 51580 1
10 . 1 . 1 5 5 ALA CA C 13 53.032 0.000 . 1 . . . . . 53 ALA CA . 51580 1
11 . 1 . 1 5 5 ALA CB C 13 19.346 0.000 . 1 . . . . . 53 ALA CB . 51580 1
12 . 1 . 1 5 5 ALA N N 15 123.930 0.012 . 1 . . . . . 53 ALA N . 51580 1
13 . 1 . 1 6 6 SER H H 1 8.508 0.001 . 1 . . . . . 54 SER H . 51580 1
14 . 1 . 1 6 6 SER C C 13 175.167 0.000 . 1 . . . . . 54 SER C . 51580 1
15 . 1 . 1 6 6 SER CA C 13 58.734 0.000 . 1 . . . . . 54 SER CA . 51580 1
16 . 1 . 1 6 6 SER CB C 13 63.501 0.000 . 1 . . . . . 54 SER CB . 51580 1
17 . 1 . 1 6 6 SER N N 15 115.290 0.008 . 1 . . . . . 54 SER N . 51580 1
18 . 1 . 1 7 7 LEU H H 1 8.358 0.000 . 1 . . . . . 55 LEU H . 51580 1
19 . 1 . 1 7 7 LEU C C 13 178.051 0.000 . 1 . . . . . 55 LEU C . 51580 1
20 . 1 . 1 7 7 LEU CA C 13 56.103 0.000 . 1 . . . . . 55 LEU CA . 51580 1
21 . 1 . 1 7 7 LEU CB C 13 41.864 0.000 . 1 . . . . . 55 LEU CB . 51580 1
22 . 1 . 1 7 7 LEU N N 15 124.634 0.004 . 1 . . . . . 55 LEU N . 51580 1
23 . 1 . 1 8 8 LEU H H 1 8.142 0.000 . 1 . . . . . 56 LEU H . 51580 1
24 . 1 . 1 8 8 LEU C C 13 178.061 0.000 . 1 . . . . . 56 LEU C . 51580 1
25 . 1 . 1 8 8 LEU CA C 13 56.106 0.000 . 1 . . . . . 56 LEU CA . 51580 1
26 . 1 . 1 8 8 LEU CB C 13 41.975 0.000 . 1 . . . . . 56 LEU CB . 51580 1
27 . 1 . 1 8 8 LEU N N 15 121.614 0.005 . 1 . . . . . 56 LEU N . 51580 1
28 . 1 . 1 9 9 LEU H H 1 8.069 0.000 . 1 . . . . . 57 LEU H . 51580 1
29 . 1 . 1 9 9 LEU C C 13 178.389 0.000 . 1 . . . . . 57 LEU C . 51580 1
30 . 1 . 1 9 9 LEU CA C 13 56.257 0.000 . 1 . . . . . 57 LEU CA . 51580 1
31 . 1 . 1 9 9 LEU CB C 13 41.877 0.000 . 1 . . . . . 57 LEU CB . 51580 1
32 . 1 . 1 9 9 LEU N N 15 121.867 0.004 . 1 . . . . . 57 LEU N . 51580 1
33 . 1 . 1 10 10 LEU H H 1 8.146 0.000 . 1 . . . . . 58 LEU H . 51580 1
34 . 1 . 1 10 10 LEU C C 13 178.775 0.000 . 1 . . . . . 58 LEU C . 51580 1
35 . 1 . 1 10 10 LEU CA C 13 56.807 0.000 . 1 . . . . . 58 LEU CA . 51580 1
36 . 1 . 1 10 10 LEU CB C 13 41.883 0.000 . 1 . . . . . 58 LEU CB . 51580 1
37 . 1 . 1 10 10 LEU N N 15 121.562 0.005 . 1 . . . . . 58 LEU N . 51580 1
38 . 1 . 1 11 11 GLU H H 1 8.351 0.000 . 1 . . . . . 59 GLU H . 51580 1
39 . 1 . 1 11 11 GLU C C 13 178.191 0.000 . 1 . . . . . 59 GLU C . 51580 1
40 . 1 . 1 11 11 GLU CA C 13 58.314 0.000 . 1 . . . . . 59 GLU CA . 51580 1
41 . 1 . 1 11 11 GLU CB C 13 29.662 0.000 . 1 . . . . . 59 GLU CB . 51580 1
42 . 1 . 1 11 11 GLU N N 15 120.277 0.007 . 1 . . . . . 59 GLU N . 51580 1
43 . 1 . 1 12 12 GLN H H 1 8.298 0.000 . 1 . . . . . 60 GLN H . 51580 1
44 . 1 . 1 12 12 GLN HE21 H 1 7.604 0.001 . 1 . . . . . 60 GLN HE21 . 51580 1
45 . 1 . 1 12 12 GLN C C 13 177.798 0.000 . 1 . . . . . 60 GLN C . 51580 1
46 . 1 . 1 12 12 GLN CA C 13 57.680 0.043 . 1 . . . . . 60 GLN CA . 51580 1
47 . 1 . 1 12 12 GLN CB C 13 28.754 0.000 . 1 . . . . . 60 GLN CB . 51580 1
48 . 1 . 1 12 12 GLN N N 15 120.147 0.004 . 1 . . . . . 60 GLN N . 51580 1
49 . 1 . 1 12 12 GLN NE2 N 15 112.072 0.005 . 1 . . . . . 60 GLN NE2 . 51580 1
50 . 1 . 1 13 13 GLN H H 1 8.423 0.001 . 1 . . . . . 61 GLN H . 51580 1
51 . 1 . 1 13 13 GLN HE21 H 1 7.645 0.000 . 1 . . . . . 61 GLN HE21 . 51580 1
52 . 1 . 1 13 13 GLN C C 13 177.772 0.000 . 1 . . . . . 61 GLN C . 51580 1
53 . 1 . 1 13 13 GLN CA C 13 57.622 0.002 . 1 . . . . . 61 GLN CA . 51580 1
54 . 1 . 1 13 13 GLN CB C 13 28.746 0.000 . 1 . . . . . 61 GLN CB . 51580 1
55 . 1 . 1 13 13 GLN N N 15 120.409 0.004 . 1 . . . . . 61 GLN N . 51580 1
56 . 1 . 1 13 13 GLN NE2 N 15 112.326 0.006 . 1 . . . . . 61 GLN NE2 . 51580 1
57 . 1 . 1 14 14 GLN H H 1 8.407 0.001 . 1 . . . . . 62 GLN H . 51580 1
58 . 1 . 1 14 14 GLN HE21 H 1 7.616 0.000 . 1 . . . . . 62 GLN HE21 . 51580 1
59 . 1 . 1 14 14 GLN C C 13 177.600 0.000 . 1 . . . . . 62 GLN C . 51580 1
60 . 1 . 1 14 14 GLN CA C 13 57.495 0.001 . 1 . . . . . 62 GLN CA . 51580 1
61 . 1 . 1 14 14 GLN CB C 13 28.724 0.000 . 1 . . . . . 62 GLN CB . 51580 1
62 . 1 . 1 14 14 GLN N N 15 120.400 0.004 . 1 . . . . . 62 GLN N . 51580 1
63 . 1 . 1 14 14 GLN NE2 N 15 112.332 0.005 . 1 . . . . . 62 GLN NE2 . 51580 1
64 . 1 . 1 15 15 GLN H H 1 8.349 0.000 . 1 . . . . . 63 GLN H . 51580 1
65 . 1 . 1 15 15 GLN HE21 H 1 7.648 0.000 . 1 . . . . . 63 GLN HE21 . 51580 1
66 . 1 . 1 15 15 GLN C C 13 177.529 0.000 . 1 . . . . . 63 GLN C . 51580 1
67 . 1 . 1 15 15 GLN CA C 13 57.471 0.003 . 1 . . . . . 63 GLN CA . 51580 1
68 . 1 . 1 15 15 GLN CB C 13 28.742 0.000 . 1 . . . . . 63 GLN CB . 51580 1
69 . 1 . 1 15 15 GLN N N 15 120.455 0.005 . 1 . . . . . 63 GLN N . 51580 1
70 . 1 . 1 15 15 GLN NE2 N 15 112.500 0.004 . 1 . . . . . 63 GLN NE2 . 51580 1
71 . 1 . 1 16 16 GLN H H 1 8.346 0.000 . 1 . . . . . 64 GLN H . 51580 1
72 . 1 . 1 16 16 GLN HE21 H 1 7.627 0.000 . 1 . . . . . 64 GLN HE21 . 51580 1
73 . 1 . 1 16 16 GLN C C 13 177.403 0.000 . 1 . . . . . 64 GLN C . 51580 1
74 . 1 . 1 16 16 GLN CA C 13 57.413 0.005 . 1 . . . . . 64 GLN CA . 51580 1
75 . 1 . 1 16 16 GLN CB C 13 28.750 0.000 . 1 . . . . . 64 GLN CB . 51580 1
76 . 1 . 1 16 16 GLN N N 15 120.403 0.005 . 1 . . . . . 64 GLN N . 51580 1
77 . 1 . 1 16 16 GLN NE2 N 15 112.447 0.005 . 1 . . . . . 64 GLN NE2 . 51580 1
78 . 1 . 1 17 17 GLN H H 1 8.354 0.000 . 1 . . . . . 65 GLN H . 51580 1
79 . 1 . 1 17 17 GLN HE21 H 1 7.622 0.000 . 1 . . . . . 65 GLN HE21 . 51580 1
80 . 1 . 1 17 17 GLN C C 13 177.336 0.000 . 1 . . . . . 65 GLN C . 51580 1
81 . 1 . 1 17 17 GLN CA C 13 57.338 0.004 . 1 . . . . . 65 GLN CA . 51580 1
82 . 1 . 1 17 17 GLN CB C 13 28.766 0.000 . 1 . . . . . 65 GLN CB . 51580 1
83 . 1 . 1 17 17 GLN N N 15 120.463 0.005 . 1 . . . . . 65 GLN N . 51580 1
84 . 1 . 1 17 17 GLN NE2 N 15 112.459 0.004 . 1 . . . . . 65 GLN NE2 . 51580 1
85 . 1 . 1 18 18 GLN H H 1 8.368 0.000 . 1 . . . . . 66 GLN H . 51580 1
86 . 1 . 1 18 18 GLN HE21 H 1 7.623 0.000 . 1 . . . . . 66 GLN HE21 . 51580 1
87 . 1 . 1 18 18 GLN C C 13 177.269 0.000 . 1 . . . . . 66 GLN C . 51580 1
88 . 1 . 1 18 18 GLN CA C 13 57.284 0.000 . 1 . . . . . 66 GLN CA . 51580 1
89 . 1 . 1 18 18 GLN CB C 13 28.783 0.000 . 1 . . . . . 66 GLN CB . 51580 1
90 . 1 . 1 18 18 GLN N N 15 120.511 0.004 . 1 . . . . . 66 GLN N . 51580 1
91 . 1 . 1 18 18 GLN NE2 N 15 112.488 0.005 . 1 . . . . . 66 GLN NE2 . 51580 1
92 . 1 . 1 19 19 GLN H H 1 8.377 0.000 . 1 . . . . . 67 GLN H . 51580 1
93 . 1 . 1 19 19 GLN HE21 H 1 7.623 0.000 . 1 . . . . . 67 GLN HE21 . 51580 1
94 . 1 . 1 19 19 GLN C C 13 177.176 0.000 . 1 . . . . . 67 GLN C . 51580 1
95 . 1 . 1 19 19 GLN CA C 13 57.191 0.004 . 1 . . . . . 67 GLN CA . 51580 1
96 . 1 . 1 19 19 GLN CB C 13 28.791 0.000 . 1 . . . . . 67 GLN CB . 51580 1
97 . 1 . 1 19 19 GLN N N 15 120.544 0.005 . 1 . . . . . 67 GLN N . 51580 1
98 . 1 . 1 19 19 GLN NE2 N 15 112.530 0.005 . 1 . . . . . 67 GLN NE2 . 51580 1
99 . 1 . 1 20 20 GLN H H 1 8.383 0.000 . 1 . . . . . 68 GLN H . 51580 1
100 . 1 . 1 20 20 GLN HE21 H 1 7.626 0.000 . 1 . . . . . 68 GLN HE21 . 51580 1
101 . 1 . 1 20 20 GLN C C 13 177.074 0.000 . 1 . . . . . 68 GLN C . 51580 1
102 . 1 . 1 20 20 GLN CA C 13 56.979 0.000 . 1 . . . . . 68 GLN CA . 51580 1
103 . 1 . 1 20 20 GLN CB C 13 28.943 0.000 . 1 . . . . . 68 GLN CB . 51580 1
104 . 1 . 1 20 20 GLN N N 15 120.563 0.005 . 1 . . . . . 68 GLN N . 51580 1
105 . 1 . 1 20 20 GLN NE2 N 15 112.619 0.005 . 1 . . . . . 68 GLN NE2 . 51580 1
106 . 1 . 1 21 21 GLN H H 1 8.393 0.000 . 1 . . . . . 69 GLN H . 51580 1
107 . 1 . 1 21 21 GLN HE21 H 1 7.628 0.001 . 1 . . . . . 69 GLN HE21 . 51580 1
108 . 1 . 1 21 21 GLN C C 13 176.945 0.000 . 1 . . . . . 69 GLN C . 51580 1
109 . 1 . 1 21 21 GLN CA C 13 56.922 0.000 . 1 . . . . . 69 GLN CA . 51580 1
110 . 1 . 1 21 21 GLN CB C 13 28.969 0.000 . 1 . . . . . 69 GLN CB . 51580 1
111 . 1 . 1 21 21 GLN N N 15 120.630 0.004 . 1 . . . . . 69 GLN N . 51580 1
112 . 1 . 1 21 21 GLN NE2 N 15 112.672 0.005 . 1 . . . . . 69 GLN NE2 . 51580 1
113 . 1 . 1 22 22 GLN H H 1 8.405 0.000 . 1 . . . . . 70 GLN H . 51580 1
114 . 1 . 1 22 22 GLN HE21 H 1 7.629 0.001 . 1 . . . . . 70 GLN HE21 . 51580 1
115 . 1 . 1 22 22 GLN C C 13 176.832 0.000 . 1 . . . . . 70 GLN C . 51580 1
116 . 1 . 1 22 22 GLN CA C 13 56.759 0.001 . 1 . . . . . 70 GLN CA . 51580 1
117 . 1 . 1 22 22 GLN CB C 13 28.980 0.000 . 1 . . . . . 70 GLN CB . 51580 1
118 . 1 . 1 22 22 GLN N N 15 120.684 0.005 . 1 . . . . . 70 GLN N . 51580 1
119 . 1 . 1 22 22 GLN NE2 N 15 112.715 0.004 . 1 . . . . . 70 GLN NE2 . 51580 1
120 . 1 . 1 23 23 GLN H H 1 8.416 0.001 . 1 . . . . . 71 GLN H . 51580 1
121 . 1 . 1 23 23 GLN HE21 H 1 7.634 0.000 . 1 . . . . . 71 GLN HE21 . 51580 1
122 . 1 . 1 23 23 GLN C C 13 176.669 0.000 . 1 . . . . . 71 GLN C . 51580 1
123 . 1 . 1 23 23 GLN CA C 13 56.547 0.001 . 1 . . . . . 71 GLN CA . 51580 1
124 . 1 . 1 23 23 GLN CB C 13 29.079 0.000 . 1 . . . . . 71 GLN CB . 51580 1
125 . 1 . 1 23 23 GLN N N 15 120.718 0.004 . 1 . . . . . 71 GLN N . 51580 1
126 . 1 . 1 23 23 GLN NE2 N 15 112.788 0.004 . 1 . . . . . 71 GLN NE2 . 51580 1
127 . 1 . 1 24 24 GLN H H 1 8.426 0.000 . 1 . . . . . 72 GLN H . 51580 1
128 . 1 . 1 24 24 GLN HE21 H 1 7.640 0.000 . 1 . . . . . 72 GLN HE21 . 51580 1
129 . 1 . 1 24 24 GLN C C 13 176.393 0.000 . 1 . . . . . 72 GLN C . 51580 1
130 . 1 . 1 24 24 GLN CA C 13 56.282 0.001 . 1 . . . . . 72 GLN CA . 51580 1
131 . 1 . 1 24 24 GLN CB C 13 29.197 0.000 . 1 . . . . . 72 GLN CB . 51580 1
132 . 1 . 1 24 24 GLN N N 15 120.842 0.004 . 1 . . . . . 72 GLN N . 51580 1
133 . 1 . 1 24 24 GLN NE2 N 15 112.908 0.004 . 1 . . . . . 72 GLN NE2 . 51580 1
134 . 1 . 1 25 25 GLN H H 1 8.433 0.001 . 1 . . . . . 73 GLN H . 51580 1
135 . 1 . 1 25 25 GLN HE21 H 1 7.646 0.000 . 1 . . . . . 73 GLN HE21 . 51580 1
136 . 1 . 1 25 25 GLN C C 13 176.103 0.000 . 1 . . . . . 73 GLN C . 51580 1
137 . 1 . 1 25 25 GLN CA C 13 56.049 0.004 . 1 . . . . . 73 GLN CA . 51580 1
138 . 1 . 1 25 25 GLN CB C 13 29.358 0.000 . 1 . . . . . 73 GLN CB . 51580 1
139 . 1 . 1 25 25 GLN N N 15 121.025 0.004 . 1 . . . . . 73 GLN N . 51580 1
140 . 1 . 1 25 25 GLN NE2 N 15 112.985 0.004 . 1 . . . . . 73 GLN NE2 . 51580 1
141 . 1 . 1 26 26 GLN H H 1 8.446 0.000 . 1 . . . . . 74 GLN H . 51580 1
142 . 1 . 1 26 26 GLN HE21 H 1 7.659 0.000 . 1 . . . . . 74 GLN HE21 . 51580 1
143 . 1 . 1 26 26 GLN C C 13 175.855 0.000 . 1 . . . . . 74 GLN C . 51580 1
144 . 1 . 1 26 26 GLN CA C 13 55.868 0.001 . 1 . . . . . 74 GLN CA . 51580 1
145 . 1 . 1 26 26 GLN CB C 13 29.408 0.000 . 1 . . . . . 74 GLN CB . 51580 1
146 . 1 . 1 26 26 GLN N N 15 121.625 0.005 . 1 . . . . . 74 GLN N . 51580 1
147 . 1 . 1 26 26 GLN NE2 N 15 113.119 0.006 . 1 . . . . . 74 GLN NE2 . 51580 1
148 . 1 . 1 27 27 LYS H H 1 8.428 0.000 . 1 . . . . . 75 LYS H . 51580 1
149 . 1 . 1 27 27 LYS C C 13 176.012 0.000 . 1 . . . . . 75 LYS C . 51580 1
150 . 1 . 1 27 27 LYS CA C 13 56.322 0.000 . 1 . . . . . 75 LYS CA . 51580 1
151 . 1 . 1 27 27 LYS CB C 13 33.111 0.000 . 1 . . . . . 75 LYS CB . 51580 1
152 . 1 . 1 27 27 LYS N N 15 123.611 0.005 . 1 . . . . . 75 LYS N . 51580 1
153 . 1 . 1 28 28 LYS H H 1 8.417 0.001 . 1 . . . . . 76 LYS H . 51580 1
154 . 1 . 1 28 28 LYS C C 13 175.177 0.000 . 1 . . . . . 76 LYS C . 51580 1
155 . 1 . 1 28 28 LYS CA C 13 56.076 0.000 . 1 . . . . . 76 LYS CA . 51580 1
156 . 1 . 1 28 28 LYS CB C 13 33.257 0.000 . 1 . . . . . 76 LYS CB . 51580 1
157 . 1 . 1 28 28 LYS N N 15 123.807 0.005 . 1 . . . . . 76 LYS N . 51580 1
158 . 1 . 1 29 29 TYR H H 1 7.881 0.001 . 1 . . . . . 77 TYR H . 51580 1
159 . 1 . 1 29 29 TYR C C 13 173.462 0.000 . 1 . . . . . 77 TYR C . 51580 1
160 . 1 . 1 29 29 TYR N N 15 114.401 0.005 . 1 . . . . . 77 TYR N . 51580 1
stop_
save_