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 51505
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Assignment of MAX(1-21)'
_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
2 '3D CBCA(CO)NH' . . . 51505 1
3 '3D CBCANH' . . . 51505 1
4 '3D HN(CA)CO' . . . 51505 1
5 '3D HNCO' . . . 51505 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
2 $software_2 . . 51505 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 1 1 MET C C 13 179.2457498 0 . 1 . . . . . 1 MET C . 51505 1
2 . 1 . 1 1 1 MET CA C 13 54.70858044 0 . 1 . . . . . 1 MET CA . 51505 1
3 . 1 . 1 1 1 MET CB C 13 32.24848246 0 . 1 . . . . . 1 MET CB . 51505 1
4 . 1 . 1 2 2 SER H H 1 8.698754941 0.0007144612629 . 1 . . . . . 2 SER H . 51505 1
5 . 1 . 1 2 2 SER C C 13 173.7648625 0.0005139304791 . 1 . . . . . 2 SER C . 51505 1
6 . 1 . 1 2 2 SER CA C 13 57.72008535 0.004223264796 . 1 . . . . . 2 SER CA . 51505 1
7 . 1 . 1 2 2 SER CB C 13 63.62784862 0.004075768504 . 1 . . . . . 2 SER CB . 51505 1
8 . 1 . 1 2 2 SER N N 15 118.8255515 0.05591679627 . 1 . . . . . 2 SER N . 51505 1
9 . 1 . 1 3 3 ASP H H 1 8.417605235 0.000529136104 . 1 . . . . . 3 ASP H . 51505 1
10 . 1 . 1 3 3 ASP C C 13 175.7856955 0.006027726563 . 1 . . . . . 3 ASP C . 51505 1
11 . 1 . 1 3 3 ASP CA C 13 54.30715377 0.002458138146 . 1 . . . . . 3 ASP CA . 51505 1
12 . 1 . 1 3 3 ASP CB C 13 40.51421732 0.006184784905 . 1 . . . . . 3 ASP CB . 51505 1
13 . 1 . 1 3 3 ASP N N 15 122.0782359 0.05315235799 . 1 . . . . . 3 ASP N . 51505 1
14 . 1 . 1 4 4 ASN H H 1 8.162481797 0.0004933059587 . 1 . . . . . 4 ASN H . 51505 1
15 . 1 . 1 4 4 ASN C C 13 174.7158609 0.000360458615 . 1 . . . . . 4 ASN C . 51505 1
16 . 1 . 1 4 4 ASN CA C 13 52.91871704 0.01432787042 . 1 . . . . . 4 ASN CA . 51505 1
17 . 1 . 1 4 4 ASN CB C 13 38.65258578 0.00017546506 . 1 . . . . . 4 ASN CB . 51505 1
18 . 1 . 1 4 4 ASN N N 15 117.6217422 0.0566142573 . 1 . . . . . 4 ASN N . 51505 1
19 . 1 . 1 5 5 ASP H H 1 8.058093125 0.0003419027167 . 1 . . . . . 5 ASP H . 51505 1
20 . 1 . 1 5 5 ASP C C 13 175.6362836 0.0009081383395 . 1 . . . . . 5 ASP C . 51505 1
21 . 1 . 1 5 5 ASP CA C 13 54.23915872 0.002394800304 . 1 . . . . . 5 ASP CA . 51505 1
22 . 1 . 1 5 5 ASP CB C 13 40.5687457 0.009325253702 . 1 . . . . . 5 ASP CB . 51505 1
23 . 1 . 1 5 5 ASP N N 15 120.2304042 0.05168961748 . 1 . . . . . 5 ASP N . 51505 1
24 . 1 . 1 6 6 ASP H H 1 8.083920955 0.0004066886719 . 1 . . . . . 6 ASP H . 51505 1
25 . 1 . 1 6 6 ASP C C 13 175.7669183 0.0009089551909 . 1 . . . . . 6 ASP C . 51505 1
26 . 1 . 1 6 6 ASP CA C 13 53.98889201 0.02076024656 . 1 . . . . . 6 ASP CA . 51505 1
27 . 1 . 1 6 6 ASP CB C 13 40.47922328 0.01661932981 . 1 . . . . . 6 ASP CB . 51505 1
28 . 1 . 1 6 6 ASP N N 15 120.0466217 0.000002697398305 . 1 . . . . . 6 ASP N . 51505 1
29 . 1 . 1 7 7 ILE H H 1 7.804398079 0.0007503660808 . 1 . . . . . 7 ILE H . 51505 1
30 . 1 . 1 7 7 ILE C C 13 175.9677284 0.001492668179 . 1 . . . . . 7 ILE C . 51505 1
31 . 1 . 1 7 7 ILE CA C 13 60.61955841 0.01727796344 . 1 . . . . . 7 ILE CA . 51505 1
32 . 1 . 1 7 7 ILE CB C 13 38.35835201 0.02525036769 . 1 . . . . . 7 ILE CB . 51505 1
33 . 1 . 1 7 7 ILE N N 15 120.4503771 0.000001348699152 . 1 . . . . . 7 ILE N . 51505 1
34 . 1 . 1 8 8 GLU H H 1 8.315679693 0.0004177833735 . 1 . . . . . 8 GLU H . 51505 1
35 . 1 . 1 8 8 GLU C C 13 175.9830324 0.000486878526 . 1 . . . . . 8 GLU C . 51505 1
36 . 1 . 1 8 8 GLU CA C 13 55.9173333 0.04549977497 . 1 . . . . . 8 GLU CA . 51505 1
37 . 1 . 1 8 8 GLU CB C 13 29.73697643 0.02246653915 . 1 . . . . . 8 GLU CB . 51505 1
38 . 1 . 1 8 8 GLU N N 15 125.4642287 0.04441510344 . 1 . . . . . 8 GLU N . 51505 1
39 . 1 . 1 9 9 VAL H H 1 8.094670634 0.0003427748646 . 1 . . . . . 9 VAL H . 51505 1
40 . 1 . 1 9 9 VAL C C 13 175.8712674 0.001600401899 . 1 . . . . . 9 VAL C . 51505 1
41 . 1 . 1 9 9 VAL CA C 13 61.64358636 0.04018128415 . 1 . . . . . 9 VAL CA . 51505 1
42 . 1 . 1 9 9 VAL CB C 13 32.52932946 0.01770329154 . 1 . . . . . 9 VAL CB . 51505 1
43 . 1 . 1 9 9 VAL N N 15 122.2544585 0.000001907348633 . 1 . . . . . 9 VAL N . 51505 1
44 . 1 . 1 10 10 GLU H H 1 8.417390234 0.0004254334705 . 1 . . . . . 10 GLU H . 51505 1
45 . 1 . 1 10 10 GLU C C 13 176.1660666 0.002871479635 . 1 . . . . . 10 GLU C . 51505 1
46 . 1 . 1 10 10 GLU CA C 13 55.97948935 0.003009488585 . 1 . . . . . 10 GLU CA . 51505 1
47 . 1 . 1 10 10 GLU CB C 13 29.79389715 0.002528968524 . 1 . . . . . 10 GLU CB . 51505 1
48 . 1 . 1 10 10 GLU N N 15 125.2815797 0.04614801342 . 1 . . . . . 10 GLU N . 51505 1
49 . 1 . 1 11 11 SER H H 1 8.293709809 0.0005085827919 . 1 . . . . . 11 SER H . 51505 1
50 . 1 . 1 11 11 SER C C 13 174.0940951 0.00287576438 . 1 . . . . . 11 SER C . 51505 1
51 . 1 . 1 11 11 SER CA C 13 57.66564129 0.005484127105 . 1 . . . . . 11 SER CA . 51505 1
52 . 1 . 1 11 11 SER CB C 13 63.59954502 0.003673322716 . 1 . . . . . 11 SER CB . 51505 1
53 . 1 . 1 11 11 SER N N 15 117.334443 0.04601980352 . 1 . . . . . 11 SER N . 51505 1
54 . 1 . 1 12 12 ASP H H 1 8.334800016 0.0004599979724 . 1 . . . . . 12 ASP H . 51505 1
55 . 1 . 1 12 12 ASP C C 13 176.1289572 0.005444230238 . 1 . . . . . 12 ASP C . 51505 1
56 . 1 . 1 12 12 ASP CA C 13 53.8836433 0.003448959243 . 1 . . . . . 12 ASP CA . 51505 1
57 . 1 . 1 12 12 ASP CB C 13 40.57395152 0.000214100946 . 1 . . . . . 12 ASP CB . 51505 1
58 . 1 . 1 12 12 ASP N N 15 122.8447721 0.04528574796 . 1 . . . . . 12 ASP N . 51505 1
59 . 1 . 1 13 13 GLU H H 1 8.149227764 0.0003986337966 . 1 . . . . . 13 GLU H . 51505 1
60 . 1 . 1 13 13 GLU C C 13 176.313252 0.001681314567 . 1 . . . . . 13 GLU C . 51505 1
61 . 1 . 1 13 13 GLU CA C 13 56.14667378 0.003549215213 . 1 . . . . . 13 GLU CA . 51505 1
62 . 1 . 1 13 13 GLU CB C 13 29.86334718 0.002008185723 . 1 . . . . . 13 GLU CB . 51505 1
63 . 1 . 1 13 13 GLU N N 15 120.6232072 0.04799331302 . 1 . . . . . 13 GLU N . 51505 1
64 . 1 . 1 14 14 GLU H H 1 8.237166432 0.0003725947131 . 1 . . . . . 14 GLU H . 51505 1
65 . 1 . 1 14 14 GLU C C 13 176.1933634 0.0006684542684 . 1 . . . . . 14 GLU C . 51505 1
66 . 1 . 1 14 14 GLU CA C 13 56.06094154 0.003921028096 . 1 . . . . . 14 GLU CA . 51505 1
67 . 1 . 1 14 14 GLU CB C 13 29.77790557 0.01317929053 . 1 . . . . . 14 GLU CB . 51505 1
68 . 1 . 1 14 14 GLU N N 15 121.61896 0.06277740396 . 1 . . . . . 14 GLU N . 51505 1
69 . 1 . 1 15 15 GLN H H 1 8.183529344 0.0008072610512 . 1 . . . . . 15 GLN H . 51505 1
70 . 1 . 1 15 15 GLN C C 13 173.6315182 0 . 1 . . . . . 15 GLN C . 51505 1
71 . 1 . 1 15 15 GLN CA C 13 53.17619453 0 . 1 . . . . . 15 GLN CA . 51505 1
72 . 1 . 1 15 15 GLN CB C 13 28.26207788 0 . 1 . . . . . 15 GLN CB . 51505 1
73 . 1 . 1 15 15 GLN N N 15 122.2255407 0.0451336849 . 1 . . . . . 15 GLN N . 51505 1
74 . 1 . 1 16 16 PRO C C 13 176.5475014 0 . 1 . . . . . 16 PRO C . 51505 1
75 . 1 . 1 16 16 PRO CA C 13 62.69730953 0 . 1 . . . . . 16 PRO CA . 51505 1
76 . 1 . 1 16 16 PRO CB C 13 31.65471735 0 . 1 . . . . . 16 PRO CB . 51505 1
77 . 1 . 1 17 17 ARG H H 1 8.2714727 0.0004337319218 . 1 . . . . . 17 ARG H . 51505 1
78 . 1 . 1 17 17 ARG C C 13 175.8463734 0.000001907348633 . 1 . . . . . 17 ARG C . 51505 1
79 . 1 . 1 17 17 ARG CA C 13 55.53883667 0.01137750261 . 1 . . . . . 17 ARG CA . 51505 1
80 . 1 . 1 17 17 ARG CB C 13 30.43558484 0.002341590081 . 1 . . . . . 17 ARG CB . 51505 1
81 . 1 . 1 17 17 ARG N N 15 121.2539632 0.05329221248 . 1 . . . . . 17 ARG N . 51505 1
82 . 1 . 1 18 18 PHE H H 1 8.118775972 0.0002458751056 . 1 . . . . . 18 PHE H . 51505 1
83 . 1 . 1 18 18 PHE C C 13 175.2105582 0.001334453132 . 1 . . . . . 18 PHE C . 51505 1
84 . 1 . 1 18 18 PHE CA C 13 57.19923425 0.03079243847 . 1 . . . . . 18 PHE CA . 51505 1
85 . 1 . 1 18 18 PHE CB C 13 39.14547446 0.006003898715 . 1 . . . . . 18 PHE CB . 51505 1
86 . 1 . 1 18 18 PHE N N 15 121.0355867 0.000001907348633 . 1 . . . . . 18 PHE N . 51505 1
87 . 1 . 1 19 19 GLN H H 1 8.137837739 0.0004975328626 . 1 . . . . . 19 GLN H . 51505 1
88 . 1 . 1 19 19 GLN C C 13 175.0633136 0.0007613666535 . 1 . . . . . 19 GLN C . 51505 1
89 . 1 . 1 19 19 GLN CA C 13 54.99617938 0.007989351275 . 1 . . . . . 19 GLN CA . 51505 1
90 . 1 . 1 19 19 GLN CB C 13 29.36511705 0.0009272348359 . 1 . . . . . 19 GLN CB . 51505 1
91 . 1 . 1 19 19 GLN N N 15 122.41717 0.0458022672 . 1 . . . . . 19 GLN N . 51505 1
92 . 1 . 1 20 20 SER H H 1 8.171569099 0.001058968172 . 1 . . . . . 20 SER H . 51505 1
93 . 1 . 1 20 20 SER C C 13 173.0595029 0.003556332724 . 1 . . . . . 20 SER C . 51505 1
94 . 1 . 1 20 20 SER CA C 13 57.90468404 0.02031376776 . 1 . . . . . 20 SER CA . 51505 1
95 . 1 . 1 20 20 SER CB C 13 63.56072249 0.008261402604 . 1 . . . . . 20 SER CB . 51505 1
96 . 1 . 1 20 20 SER N N 15 118.0056541 0.05608971891 . 1 . . . . . 20 SER N . 51505 1
97 . 1 . 1 21 21 ALA H H 1 7.919507159 0.000764139766 . 1 . . . . . 21 ALA H . 51505 1
98 . 1 . 1 21 21 ALA C C 13 175.4364928 0 . 1 . . . . . 21 ALA C . 51505 1
99 . 1 . 1 21 21 ALA CA C 13 53.37759548 0 . 1 . . . . . 21 ALA CA . 51505 1
100 . 1 . 1 21 21 ALA CB C 13 19.68670595 0 . 1 . . . . . 21 ALA CB . 51505 1
101 . 1 . 1 21 21 ALA N N 15 131.411098 0.000001907348633 . 1 . . . . . 21 ALA N . 51505 1
102 . 2 . 1 12 12 ASP C C 13 176.0374545 0 . 1 . . . . . 12 ASP C . 51505 1
103 . 2 . 1 12 12 ASP CA C 13 53.79052619 0 . 1 . . . . . 12 ASP CA . 51505 1
104 . 2 . 1 12 12 ASP CB C 13 40.53605617 0 . 1 . . . . . 12 ASP CB . 51505 1
105 . 2 . 1 13 13 GLU H H 1 8.113364183 0.0009422958523 . 1 . . . . . 13 GLU H . 51505 1
106 . 2 . 1 13 13 GLU C C 13 176.1298524 0 . 1 . . . . . 13 GLU C . 51505 1
107 . 2 . 1 13 13 GLU CA C 13 56.15091126 0 . 1 . . . . . 13 GLU CA . 51505 1
108 . 2 . 1 13 13 GLU CB C 13 30.00510739 0 . 1 . . . . . 13 GLU CB . 51505 1
109 . 2 . 1 13 13 GLU N N 15 120.5082188 0.06867716963 . 1 . . . . . 13 GLU N . 51505 1
110 . 2 . 1 14 14 GLU C C 13 175.0623825 0 . 1 . . . . . 14 GLU C . 51505 1
111 . 2 . 1 14 14 GLU CA C 13 56.18728412 0 . 1 . . . . . 14 GLU CA . 51505 1
112 . 2 . 1 14 14 GLU CB C 13 29.62700299 0 . 1 . . . . . 14 GLU CB . 51505 1
113 . 2 . 1 15 15 GLN H H 1 7.947554772 0.0002270563507 . 1 . . . . . 15 GLN H . 51505 1
114 . 2 . 1 15 15 GLN C C 13 174.0616235 0 . 1 . . . . . 15 GLN C . 51505 1
115 . 2 . 1 15 15 GLN CA C 13 52.57620922 0 . 1 . . . . . 15 GLN CA . 51505 1
116 . 2 . 1 15 15 GLN CB C 13 29.54156211 0 . 1 . . . . . 15 GLN CB . 51505 1
117 . 2 . 1 15 15 GLN N N 15 120.0155072 0.04493908512 . 1 . . . . . 15 GLN N . 51505 1
118 . 2 . 1 16 16 PRO C C 13 175.5264531 0 . 1 . . . . . 16 PRO C . 51505 1
119 . 2 . 1 16 16 PRO CA C 13 61.88064748 0 . 1 . . . . . 16 PRO CA . 51505 1
120 . 2 . 1 16 16 PRO CB C 13 33.95821007 0 . 1 . . . . . 16 PRO CB . 51505 1
121 . 2 . 1 17 17 ARG H H 1 8.238647225 0.0002766006443 . 1 . . . . . 17 ARG H . 51505 1
122 . 2 . 1 17 17 ARG C C 13 175.9504278 0.02171143896 . 1 . . . . . 17 ARG C . 51505 1
123 . 2 . 1 17 17 ARG CA C 13 55.67871998 0.02040640973 . 1 . . . . . 17 ARG CA . 51505 1
124 . 2 . 1 17 17 ARG CB C 13 30.36214445 0.01446436887 . 1 . . . . . 17 ARG CB . 51505 1
125 . 2 . 1 17 17 ARG N N 15 120.8894791 0.05723073309 . 1 . . . . . 17 ARG N . 51505 1
126 . 2 . 1 18 18 PHE H H 1 8.346862272 0.0005428033698 . 1 . . . . . 18 PHE H . 51505 1
127 . 2 . 1 18 18 PHE C C 13 175.1858646 0.0000415696997 . 1 . . . . . 18 PHE C . 51505 1
128 . 2 . 1 18 18 PHE CA C 13 57.34792998 0.005820356195 . 1 . . . . . 18 PHE CA . 51505 1
129 . 2 . 1 18 18 PHE CB C 13 39.18196621 0.05417419392 . 1 . . . . . 18 PHE CB . 51505 1
130 . 2 . 1 18 18 PHE N N 15 121.8920664 0.05878537685 . 1 . . . . . 18 PHE N . 51505 1
131 . 2 . 1 19 19 GLN H H 1 8.150730075 0.0005665520157 . 1 . . . . . 19 GLN H . 51505 1
132 . 2 . 1 19 19 GLN C C 13 174.9339541 0 . 1 . . . . . 19 GLN C . 51505 1
133 . 2 . 1 19 19 GLN CA C 13 54.9535 0 . 1 . . . . . 19 GLN CA . 51505 1
134 . 2 . 1 19 19 GLN CB C 13 29.43146393 0 . 1 . . . . . 19 GLN CB . 51505 1
135 . 2 . 1 19 19 GLN N N 15 122.8946534 0 . 1 . . . . . 19 GLN N . 51505 1
stop_
save_