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 52531
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name ChemicalShiftList1
_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-15N HSQC' . . . 52531 1
2 '3D HNCO' . . . 52531 1
3 '3D HNCACB' . . . 52531 1
4 '3D HN(CO)CACB' . . . 52531 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 . . 52531 1
2 $software_2 . . 52531 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 GLU CA C 13 53.44667839 0 . . . . . . . 2 GLU CA . 52531 1
2 . 1 . 1 2 2 GLU CB C 13 27.49177159 0 . . . . . . . 2 GLU CB . 52531 1
3 . 1 . 1 3 3 SER H H 1 8.443982852 0.0009052249691 . . . . . . . 3 SER HN . 52531 1
4 . 1 . 1 3 3 SER CA C 13 55.37866545 0.00693200621 . . . . . . . 3 SER CA . 52531 1
5 . 1 . 1 3 3 SER CB C 13 60.890836 0.04555607214 . . . . . . . 3 SER CB . 52531 1
6 . 1 . 1 3 3 SER N N 15 118.158974 0 . . . . . . . 3 SER N . 52531 1
7 . 1 . 1 4 4 LYS H H 1 8.362381839 0.001210290264 . . . . . . . 4 LYS HN . 52531 1
8 . 1 . 1 4 4 LYS CA C 13 53.40094028 0.006006089266 . . . . . . . 4 LYS CA . 52531 1
9 . 1 . 1 4 4 LYS CB C 13 30.35316524 0.149466038 . . . . . . . 4 LYS CB . 52531 1
10 . 1 . 1 4 4 LYS N N 15 123.7591717 0.0000013 . . . . . . . 4 LYS N . 52531 1
11 . 1 . 1 5 5 SER H H 1 8.268806086 0.001204508595 . . . . . . . 5 SER HN . 52531 1
12 . 1 . 1 5 5 SER CA C 13 55.45073232 0.04346049507 . . . . . . . 5 SER CA . 52531 1
13 . 1 . 1 5 5 SER CB C 13 60.9020129 0.001705841998 . . . . . . . 5 SER CB . 52531 1
14 . 1 . 1 5 5 SER N N 15 117.232325 0.000002336 . . . . . . . 5 SER N . 52531 1
15 . 1 . 1 6 6 SER H H 1 8.274987416 0.003970989972 . . . . . . . 6 SER HN . 52531 1
16 . 1 . 1 6 6 SER N N 15 117.9439404 0 . . . . . . . 6 SER N . 52531 1
17 . 1 . 1 7 7 SER H H 1 8.264501795 0.000142504123 . . . . . . . 7 SER HN . 52531 1
18 . 1 . 1 7 7 SER CA C 13 55.74977908 0 . . . . . . . 7 SER CA . 52531 1
19 . 1 . 1 7 7 SER CB C 13 60.85945501 0.02187643938 . . . . . . . 7 SER CB . 52531 1
20 . 1 . 1 7 7 SER N N 15 117.8242532 0 . . . . . . . 7 SER N . 52531 1
21 . 1 . 1 8 8 THR H H 1 8.02715587 0.001055500625 . . . . . . . 8 THR HN . 52531 1
22 . 1 . 1 8 8 THR CA C 13 59.06275456 0.04983456887 . . . . . . . 8 THR CA . 52531 1
23 . 1 . 1 8 8 THR CB C 13 66.69960943 0.03991948848 . . . . . . . 8 THR CB . 52531 1
24 . 1 . 1 8 8 THR N N 15 115.2156498 0.0000013 . . . . . . . 8 THR N . 52531 1
25 . 1 . 1 9 9 ASP H H 1 8.068186282 0.001399392351 . . . . . . . 9 ASP HN . 52531 1
26 . 1 . 1 9 9 ASP CA C 13 51.50950012 0.01873304796 . . . . . . . 9 ASP CA . 52531 1
27 . 1 . 1 9 9 ASP CB C 13 38.11583814 0.01952710257 . . . . . . . 9 ASP CB . 52531 1
28 . 1 . 1 9 9 ASP N N 15 122.5175399 0.0000019 . . . . . . . 9 ASP N . 52531 1
29 . 1 . 1 10 10 ASN H H 1 8.298223642 0.001361677439 . . . . . . . 10 ASN HN . 52531 1
30 . 1 . 1 10 10 ASN CA C 13 50.55935958 0.0374733434 . . . . . . . 10 ASN CA . 52531 1
31 . 1 . 1 10 10 ASN CB C 13 35.83463086 0.01688996956 . . . . . . . 10 ASN CB . 52531 1
32 . 1 . 1 10 10 ASN N N 15 119.9766185 0 . . . . . . . 10 ASN N . 52531 1
33 . 1 . 1 11 11 THR H H 1 8.019005762 0.000892448131 . . . . . . . 11 THR HN . 52531 1
34 . 1 . 1 11 11 THR CA C 13 59.6697226 0.03541910117 . . . . . . . 11 THR CA . 52531 1
35 . 1 . 1 11 11 THR CB C 13 66.79885689 0.01129043681 . . . . . . . 11 THR CB . 52531 1
36 . 1 . 1 11 11 THR N N 15 114.2035593 0.000002336 . . . . . . . 11 THR N . 52531 1
37 . 1 . 1 12 12 ALA H H 1 8.072769797 0.001234784098 . . . . . . . 12 ALA HN . 52531 1
38 . 1 . 1 12 12 ALA CA C 13 49.4718092 0.01232791367 . . . . . . . 12 ALA CA . 52531 1
39 . 1 . 1 12 12 ALA CB C 13 16.24204065 0.01012127416 . . . . . . . 12 ALA CB . 52531 1
40 . 1 . 1 12 12 ALA N N 15 126.3367599 0.0000030 . . . . . . . 12 ALA N . 52531 1
41 . 1 . 1 13 13 THR H H 1 8.01131846 0.001196543902 . . . . . . . 13 THR HN . 52531 1
42 . 1 . 1 13 13 THR CA C 13 56.94069437 . . . . . . . . 13 THR CA . 52531 1
43 . 1 . 1 13 13 THR CB C 13 66.8555943 . . . . . . . . 13 THR CB . 52531 1
44 . 1 . 1 13 13 THR N N 15 116.6705452 0.0000013 . . . . . . . 13 THR N . 52531 1
45 . 1 . 1 14 14 PRO CA C 13 60.21595015 0.001163109149 . . . . . . . 14 PRO CA . 52531 1
46 . 1 . 1 14 14 PRO CB C 13 29.21225106 0.01100932365 . . . . . . . 14 PRO CB . 52531 1
47 . 1 . 1 15 15 CYS H H 1 8.360169578 0.001468265023 . . . . . . . 15 CYS HN . 52531 1
48 . 1 . 1 15 15 CYS CA C 13 54.28122918 0.1627765135 . . . . . . . 15 CYS CA . 52531 1
49 . 1 . 1 15 15 CYS CB C 13 37.83354819 0.2724179099 . . . . . . . 15 CYS CB . 52531 1
50 . 1 . 1 15 15 CYS N N 15 121.5547056 0.0000019 . . . . . . . 15 CYS N . 52531 1
51 . 1 . 1 16 16 VAL H H 1 8.357532848 0.002742961907 . . . . . . . 16 VAL HN . 52531 1
52 . 1 . 1 16 16 VAL CA C 13 58.80693351 0.03919712844 . . . . . . . 16 VAL CA . 52531 1
53 . 1 . 1 16 16 VAL CB C 13 31.42829582 0.02494784179 . . . . . . . 16 VAL CB . 52531 1
54 . 1 . 1 16 16 VAL N N 15 126.6011114 0 . . . . . . . 16 VAL N . 52531 1
55 . 1 . 1 17 17 GLY H H 1 8.503354874 0.001170030973 . . . . . . . 17 GLY HN . 52531 1
56 . 1 . 1 17 17 GLY CA C 13 42.01789867 0.06292458096 . . . . . . . 17 GLY CA . 52531 1
57 . 1 . 1 17 17 GLY N N 15 114.6426742 0 . . . . . . . 17 GLY N . 52531 1
58 . 1 . 1 18 18 ASP H H 1 8.378070281 0.001482148681 . . . . . . . 18 ASP HN . 52531 1
59 . 1 . 1 18 18 ASP CA C 13 52.82403019 0.1203963714 . . . . . . . 18 ASP CA . 52531 1
60 . 1 . 1 18 18 ASP CB C 13 37.71850915 0.06695732905 . . . . . . . 18 ASP CB . 52531 1
61 . 1 . 1 18 18 ASP N N 15 120.1439958 0.0000013 . . . . . . . 18 ASP N . 52531 1
62 . 1 . 1 19 19 LYS H H 1 8.061123909 0.001142867622 . . . . . . . 19 LYS HN . 52531 1
63 . 1 . 1 19 19 LYS CA C 13 53.31890463 0 . . . . . . . 19 LYS CA . 52531 1
64 . 1 . 1 19 19 LYS CB C 13 28.76699401 0.005288129975 . . . . . . . 19 LYS CB . 52531 1
65 . 1 . 1 19 19 LYS N N 15 118.0781149 0.0000013 . . . . . . . 19 LYS N . 52531 1
66 . 1 . 1 20 20 CYS H H 1 7.406818813 0.001132884549 . . . . . . . 20 CYS HN . 52531 1
67 . 1 . 1 20 20 CYS CA C 13 52.35900218 0.1001963741 . . . . . . . 20 CYS CA . 52531 1
68 . 1 . 1 20 20 CYS CB C 13 37.34214212 0.07131082565 . . . . . . . 20 CYS CB . 52531 1
69 . 1 . 1 20 20 CYS N N 15 118.2885067 0.0000013 . . . . . . . 20 CYS N . 52531 1
70 . 1 . 1 21 21 VAL H H 1 7.992782919 0.004515520526 . . . . . . . 21 VAL HN . 52531 1
71 . 1 . 1 21 21 VAL CA C 13 59.86502364 0.0385230787 . . . . . . . 21 VAL CA . 52531 1
72 . 1 . 1 21 21 VAL CB C 13 29.63566021 0 . . . . . . . 21 VAL CB . 52531 1
73 . 1 . 1 21 21 VAL N N 15 121.9334748 0.0000013 . . . . . . . 21 VAL N . 52531 1
74 . 1 . 1 22 22 LYS H H 1 8.334545541 0.0005261347878 . . . . . . . 22 LYS HN . 52531 1
75 . 1 . 1 22 22 LYS CA C 13 53.31571038 0 . . . . . . . 22 LYS CA . 52531 1
76 . 1 . 1 22 22 LYS CB C 13 30.13040264 0 . . . . . . . 22 LYS CB . 52531 1
77 . 1 . 1 22 22 LYS N N 15 126.0259706 0.0000019 . . . . . . . 22 LYS N . 52531 1
78 . 1 . 1 23 23 THR H H 1 7.986512472 0.001180462765 . . . . . . . 23 THR HN . 52531 1
79 . 1 . 1 23 23 THR CA C 13 59.11894078 0.04828983455 . . . . . . . 23 THR CA . 52531 1
80 . 1 . 1 23 23 THR CB C 13 67.0346293 0.002488580557 . . . . . . . 23 THR CB . 52531 1
81 . 1 . 1 23 23 THR N N 15 116.2551375 0 . . . . . . . 23 THR N . 52531 1
82 . 1 . 1 24 24 LYS H H 1 8.240509007 0.001170338886 . . . . . . . 24 LYS HN . 52531 1
83 . 1 . 1 24 24 LYS CA C 13 53.54497411 0.007201489883 . . . . . . . 24 LYS CA . 52531 1
84 . 1 . 1 24 24 LYS CB C 13 30.17276634 0.01561348042 . . . . . . . 24 LYS CB . 52531 1
85 . 1 . 1 24 24 LYS N N 15 124.2072825 0.0000013 . . . . . . . 24 LYS N . 52531 1
86 . 1 . 1 25 25 ALA H H 1 8.212223975 0.0008623591355 . . . . . . . 25 ALA HN . 52531 1
87 . 1 . 1 25 25 ALA CA C 13 49.71828227 0.02778057852 . . . . . . . 25 ALA CA . 52531 1
88 . 1 . 1 25 25 ALA CB C 13 16.13927958 0.0226266127 . . . . . . . 25 ALA CB . 52531 1
89 . 1 . 1 25 25 ALA N N 15 125.9108603 0.0000013 . . . . . . . 25 ALA N . 52531 1
90 . 1 . 1 26 26 ALA H H 1 8.145172281 0.001394440223 . . . . . . . 26 ALA HN . 52531 1
91 . 1 . 1 26 26 ALA CA C 13 49.55807083 0.01938731178 . . . . . . . 26 ALA CA . 52531 1
92 . 1 . 1 26 26 ALA CB C 13 16.17742986 0.001414933218 . . . . . . . 26 ALA CB . 52531 1
93 . 1 . 1 26 26 ALA N N 15 123.3454998 0 . . . . . . . 26 ALA N . 52531 1
94 . 1 . 1 27 27 GLU H H 1 8.178335902 0.001308663895 . . . . . . . 27 GLU HN . 52531 1
95 . 1 . 1 27 27 GLU CA C 13 53.86580935 0.02266846751 . . . . . . . 27 GLU CA . 52531 1
96 . 1 . 1 27 27 GLU CB C 13 27.42672524 0.02455774022 . . . . . . . 27 GLU CB . 52531 1
97 . 1 . 1 27 27 GLU N N 15 120.2256506 0.0000019 . . . . . . . 27 GLU N . 52531 1
98 . 1 . 1 28 28 GLY H H 1 8.239090113 0.001422945254 . . . . . . . 28 GLY HN . 52531 1
99 . 1 . 1 28 28 GLY CA C 13 42.47007726 0.01236961202 . . . . . . . 28 GLY CA . 52531 1
100 . 1 . 1 28 28 GLY N N 15 109.7596791 0 . . . . . . . 28 GLY N . 52531 1
101 . 1 . 1 29 29 LYS H H 1 8.085681765 0.001061554928 . . . . . . . 29 LYS HN . 52531 1
102 . 1 . 1 29 29 LYS CA C 13 53.58362186 0.00066612359 . . . . . . . 29 LYS CA . 52531 1
103 . 1 . 1 29 29 LYS CB C 13 30.14510893 0 . . . . . . . 29 LYS CB . 52531 1
104 . 1 . 1 29 29 LYS N N 15 120.7153967 0 . . . . . . . 29 LYS N . 52531 1
105 . 1 . 1 30 30 CYS H H 1 8.391913536 0.001162908182 . . . . . . . 30 CYS HN . 52531 1
106 . 1 . 1 30 30 CYS CA C 13 52.89165272 0.005046753701 . . . . . . . 30 CYS CA . 52531 1
107 . 1 . 1 30 30 CYS CB C 13 39.05046105 0.006778033331 . . . . . . . 30 CYS CB . 52531 1
108 . 1 . 1 30 30 CYS N N 15 119.8442842 0.000002336 . . . . . . . 30 CYS N . 52531 1
109 . 1 . 1 31 31 GLY H H 1 8.297903468 0.001493653481 . . . . . . . 31 GLY HN . 52531 1
110 . 1 . 1 31 31 GLY CA C 13 42.74907161 0.01440640459 . . . . . . . 31 GLY CA . 52531 1
111 . 1 . 1 31 31 GLY N N 15 111.4404119 0.0000013 . . . . . . . 31 GLY N . 52531 1
112 . 1 . 1 32 32 GLU H H 1 8.329877996 0.001788920022 . . . . . . . 32 GLU HN . 52531 1
113 . 1 . 1 32 32 GLU CA C 13 54.18729873 0.1461287639 . . . . . . . 32 GLU CA . 52531 1
114 . 1 . 1 32 32 GLU CB C 13 26.69759295 0.0113600315 . . . . . . . 32 GLU CB . 52531 1
115 . 1 . 1 32 32 GLU N N 15 120.4200936 0.0000013 . . . . . . . 32 GLU N . 52531 1
116 . 1 . 1 33 33 GLY H H 1 8.140019719 0.001743845366 . . . . . . . 33 GLY HN . 52531 1
117 . 1 . 1 33 33 GLY CA C 13 42.51961689 0.0394544676 . . . . . . . 33 GLY CA . 52531 1
118 . 1 . 1 33 33 GLY N N 15 109.2028213 0 . . . . . . . 33 GLY N . 52531 1
119 . 1 . 1 34 34 LYS H H 1 7.914337893 0.002178283033 . . . . . . . 34 LYS HN . 52531 1
120 . 1 . 1 34 34 LYS CA C 13 53.35837196 0.02038043397 . . . . . . . 34 LYS CA . 52531 1
121 . 1 . 1 34 34 LYS CB C 13 30.13836925 0.02932211176 . . . . . . . 34 LYS CB . 52531 1
122 . 1 . 1 34 34 LYS N N 15 119.4994218 0.000002336 . . . . . . . 34 LYS N . 52531 1
123 . 1 . 1 35 35 CYS H H 1 8.538735837 0.0006616324237 . . . . . . . 35 CYS HN . 52531 1
124 . 1 . 1 35 35 CYS CA C 13 52.60882125 0.02355277562 . . . . . . . 35 CYS CA . 52531 1
125 . 1 . 1 35 35 CYS CB C 13 38.74340132 0.0008611181367 . . . . . . . 35 CYS CB . 52531 1
126 . 1 . 1 35 35 CYS N N 15 119.2844531 0 . . . . . . . 35 CYS N . 52531 1
127 . 1 . 1 36 36 GLY H H 1 8.36933563 0.001200121606 . . . . . . . 36 GLY HN . 52531 1
128 . 1 . 1 36 36 GLY CA C 13 42.52728479 0.03534338492 . . . . . . . 36 GLY CA . 52531 1
129 . 1 . 1 36 36 GLY N N 15 110.0178485 0 . . . . . . . 36 GLY N . 52531 1
130 . 1 . 1 37 37 ALA H H 1 8.068577519 0.001735931466 . . . . . . . 37 ALA HN . 52531 1
131 . 1 . 1 37 37 ALA CA C 13 50.04233237 0.004628030386 . . . . . . . 37 ALA CA . 52531 1
132 . 1 . 1 37 37 ALA CB C 13 16.18577957 0 . . . . . . . 37 ALA CB . 52531 1
133 . 1 . 1 37 37 ALA N N 15 123.7591148 0 . . . . . . . 37 ALA N . 52531 1
134 . 1 . 1 38 38 ASP H H 1 8.194741368 0.001079314647 . . . . . . . 38 ASP HN . 52531 1
135 . 1 . 1 38 38 ASP CA C 13 51.64490323 0.04973356928 . . . . . . . 38 ASP CA . 52531 1
136 . 1 . 1 38 38 ASP CB C 13 37.95682347 0.1264831663 . . . . . . . 38 ASP CB . 52531 1
137 . 1 . 1 38 38 ASP N N 15 119.0330931 0.0000019 . . . . . . . 38 ASP N . 52531 1
138 . 1 . 1 39 39 LYS H H 1 8.006095372 0.001744495033 . . . . . . . 39 LYS HN . 52531 1
139 . 1 . 1 39 39 LYS CA C 13 53.82284866 0.01504831313 . . . . . . . 39 LYS CA . 52531 1
140 . 1 . 1 39 39 LYS CB C 13 29.76430412 0.03337763576 . . . . . . . 39 LYS CB . 52531 1
141 . 1 . 1 39 39 LYS N N 15 121.9701633 0 . . . . . . . 39 LYS N . 52531 1
142 . 1 . 1 40 40 ALA H H 1 8.055035236 0.0009313396929 . . . . . . . 40 ALA HN . 52531 1
143 . 1 . 1 40 40 ALA CA C 13 50.16495996 0.01419765431 . . . . . . . 40 ALA CA . 52531 1
144 . 1 . 1 40 40 ALA CB C 13 16.02066221 0.02529288248 . . . . . . . 40 ALA CB . 52531 1
145 . 1 . 1 40 40 ALA N N 15 124.0263471 0 . . . . . . . 40 ALA N . 52531 1
146 . 1 . 1 41 41 LYS H H 1 7.999769973 0.001344904797 . . . . . . . 41 LYS HN . 52531 1
147 . 1 . 1 41 41 LYS CA C 13 53.75314692 0.01191526528 . . . . . . . 41 LYS CA . 52531 1
148 . 1 . 1 41 41 LYS CB C 13 29.94810678 0.00241013022 . . . . . . . 41 LYS CB . 52531 1
149 . 1 . 1 41 41 LYS N N 15 120.0885779 0.0000013 . . . . . . . 41 LYS N . 52531 1
150 . 1 . 1 42 42 SER H H 1 8.046854396 0.001356259348 . . . . . . . 42 SER HN . 52531 1
151 . 1 . 1 42 42 SER CA C 13 55.75649852 0.0346872968 . . . . . . . 42 SER CA . 52531 1
152 . 1 . 1 42 42 SER CB C 13 60.67595604 0.03309018214 . . . . . . . 42 SER CB . 52531 1
153 . 1 . 1 42 42 SER N N 15 116.4939014 0.0000019 . . . . . . . 42 SER N . 52531 1
154 . 1 . 1 43 43 LEU H H 1 8.101336475 0.001365463776 . . . . . . . 43 LEU HN . 52531 1
155 . 1 . 1 43 43 LEU CA C 13 52.38091122 0.02217999194 . . . . . . . 43 LEU CA . 52531 1
156 . 1 . 1 43 43 LEU CB C 13 39.1739569 0.02556032658 . . . . . . . 43 LEU CB . 52531 1
157 . 1 . 1 43 43 LEU N N 15 123.8604497 0.000002336 . . . . . . . 43 LEU N . 52531 1
158 . 1 . 1 44 44 GLU H H 1 8.011724181 0.00102897288 . . . . . . . 44 GLU HN . 52531 1
159 . 1 . 1 44 44 GLU CA C 13 53.84449859 0 . . . . . . . 44 GLU CA . 52531 1
160 . 1 . 1 44 44 GLU CB C 13 27.26091504 0.04164116975 . . . . . . . 44 GLU CB . 52531 1
161 . 1 . 1 44 44 GLU N N 15 120.725798 0.0000013 . . . . . . . 44 GLU N . 52531 1
162 . 1 . 1 45 45 HIS H H 1 8.088587964 0.001279684905 . . . . . . . 45 HIS HN . 52531 1
163 . 1 . 1 45 45 HIS CA C 13 53.02230811 0.01394197531 . . . . . . . 45 HIS CA . 52531 1
164 . 1 . 1 45 45 HIS CB C 13 27.20054903 . . . . . . . . 45 HIS CB . 52531 1
165 . 1 . 1 45 45 HIS N N 15 119.7261132 0.000002697 . . . . . . . 45 HIS N . 52531 1
166 . 1 . 1 46 46 HIS H H 1 7.943036585 0.00180249233 . . . . . . . 46 HIS HN . 52531 1
167 . 1 . 1 46 46 HIS N N 15 125.2965768 0 . . . . . . . 46 HIS N . 52531 1
stop_
save_