Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 19517
_Assigned_chem_shift_list.ID 1
_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 $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_Assigned_chem_shift_list.Chem_shift_15N_err 0.1
_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
6 '3D HNCO' 2 $sample_2 . 19517 1
7 '3D HNCA' 2 $sample_2 . 19517 1
8 '3D HNCACB' 2 $sample_2 . 19517 1
9 '3D HN(CA)CO' 2 $sample_2 . 19517 1
10 '3D HN(CO)CACB' 2 $sample_2 . 19517 1
stop_
loop_
_Systematic_chem_shift_offset.Type
_Systematic_chem_shift_offset.Atom_type
_Systematic_chem_shift_offset.Atom_isotope_number
_Systematic_chem_shift_offset.Val
_Systematic_chem_shift_offset.Val_err
_Systematic_chem_shift_offset.Entry_ID
_Systematic_chem_shift_offset.Assigned_chem_shift_list_ID
'2H isotope effect' 'all 13C' 13 0.4 . 19517 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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.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 7 7 ALA H H 1 7.85 0.01 . . . . . . 351 ALA H . 19517 1
2 . 1 1 7 7 ALA C C 13 179.2 0.1 . . . . . . 351 ALA C . 19517 1
3 . 1 1 7 7 ALA CA C 13 52.1 0.1 . . . . . . 351 ALA CA . 19517 1
4 . 1 1 7 7 ALA CB C 13 18.1 0.1 . . . . . . 351 ALA CB . 19517 1
5 . 1 1 7 7 ALA N N 15 123.2 0.1 . . . . . . 351 ALA N . 19517 1
6 . 1 1 8 8 HIS H H 1 7.98 0.01 . . . . . . 352 HIS H . 19517 1
7 . 1 1 8 8 HIS C C 13 176.6 0.1 . . . . . . 352 HIS C . 19517 1
8 . 1 1 8 8 HIS CA C 13 54.9 0.1 . . . . . . 352 HIS CA . 19517 1
9 . 1 1 8 8 HIS CB C 13 27.7 0.1 . . . . . . 352 HIS CB . 19517 1
10 . 1 1 8 8 HIS N N 15 116.5 0.1 . . . . . . 352 HIS N . 19517 1
11 . 1 1 9 9 TRP H H 1 7.85 0.01 . . . . . . 353 TRP H . 19517 1
12 . 1 1 9 9 TRP C C 13 177.1 0.1 . . . . . . 353 TRP C . 19517 1
13 . 1 1 9 9 TRP CA C 13 58.2 0.1 . . . . . . 353 TRP CA . 19517 1
14 . 1 1 9 9 TRP CB C 13 29 0.1 . . . . . . 353 TRP CB . 19517 1
15 . 1 1 9 9 TRP N N 15 120.4 0.1 . . . . . . 353 TRP N . 19517 1
16 . 1 1 10 10 GLY H H 1 8.34 0.01 . . . . . . 354 GLY H . 19517 1
17 . 1 1 10 10 GLY C C 13 175.5 0.1 . . . . . . 354 GLY C . 19517 1
18 . 1 1 10 10 GLY CA C 13 46 0.1 . . . . . . 354 GLY CA . 19517 1
19 . 1 1 10 10 GLY N N 15 108.6 0.1 . . . . . . 354 GLY N . 19517 1
20 . 1 1 11 11 VAL H H 1 7.74 0.01 . . . . . . 355 VAL H . 19517 1
21 . 1 1 11 11 VAL C C 13 177.1 0.1 . . . . . . 355 VAL C . 19517 1
22 . 1 1 11 11 VAL CA C 13 64.3 0.1 . . . . . . 355 VAL CA . 19517 1
23 . 1 1 11 11 VAL CB C 13 30.9 0.1 . . . . . . 355 VAL CB . 19517 1
24 . 1 1 11 11 VAL N N 15 120.4 0.1 . . . . . . 355 VAL N . 19517 1
25 . 1 1 12 12 LEU H H 1 7.78 0.01 . . . . . . 356 LEU H . 19517 1
26 . 1 1 12 12 LEU C C 13 178.4 0.1 . . . . . . 356 LEU C . 19517 1
27 . 1 1 12 12 LEU CA C 13 56.5 0.1 . . . . . . 356 LEU CA . 19517 1
28 . 1 1 12 12 LEU CB C 13 40.8 0.1 . . . . . . 356 LEU CB . 19517 1
29 . 1 1 12 12 LEU N N 15 119.6 0.1 . . . . . . 356 LEU N . 19517 1
30 . 1 1 13 13 ALA H H 1 8.05 0.01 . . . . . . 357 ALA H . 19517 1
31 . 1 1 13 13 ALA C C 13 179.4 0.1 . . . . . . 357 ALA C . 19517 1
32 . 1 1 13 13 ALA CA C 13 53.6 0.1 . . . . . . 357 ALA CA . 19517 1
33 . 1 1 13 13 ALA CB C 13 17.2 0.1 . . . . . . 357 ALA CB . 19517 1
34 . 1 1 13 13 ALA N N 15 122.1 0.1 . . . . . . 357 ALA N . 19517 1
35 . 1 1 14 14 GLY H H 1 8.11 0.01 . . . . . . 358 GLY H . 19517 1
36 . 1 1 14 14 GLY C C 13 175 0.1 . . . . . . 358 GLY C . 19517 1
37 . 1 1 14 14 GLY CA C 13 45.9 0.1 . . . . . . 358 GLY CA . 19517 1
38 . 1 1 14 14 GLY N N 15 105.8 0.1 . . . . . . 358 GLY N . 19517 1
39 . 1 1 15 15 ILE H H 1 7.93 0.01 . . . . . . 359 ILE H . 19517 1
40 . 1 1 15 15 ILE C C 13 178.3 0.1 . . . . . . 359 ILE C . 19517 1
41 . 1 1 15 15 ILE CA C 13 56.3 0.1 . . . . . . 359 ILE CA . 19517 1
42 . 1 1 15 15 ILE CB C 13 40 0.1 . . . . . . 359 ILE CB . 19517 1
43 . 1 1 15 15 ILE N N 15 121.7 0.1 . . . . . . 359 ILE N . 19517 1
44 . 1 1 16 16 ALA H H 1 7.95 0.01 . . . . . . 360 ALA H . 19517 1
45 . 1 1 16 16 ALA C C 13 178.6 0.1 . . . . . . 360 ALA C . 19517 1
46 . 1 1 16 16 ALA CA C 13 53.9 0.1 . . . . . . 360 ALA CA . 19517 1
47 . 1 1 16 16 ALA CB C 13 16.9 0.1 . . . . . . 360 ALA CB . 19517 1
48 . 1 1 16 16 ALA N N 15 121.2 0.1 . . . . . . 360 ALA N . 19517 1
49 . 1 1 17 17 TYR H H 1 7.57 0.01 . . . . . . 361 TYR H . 19517 1
50 . 1 1 17 17 TYR C C 13 176.9 0.1 . . . . . . 361 TYR C . 19517 1
51 . 1 1 17 17 TYR CA C 13 59.5 0.1 . . . . . . 361 TYR CA . 19517 1
52 . 1 1 17 17 TYR CB C 13 37.7 0.1 . . . . . . 361 TYR CB . 19517 1
53 . 1 1 17 17 TYR N N 15 115.3 0.1 . . . . . . 361 TYR N . 19517 1
54 . 1 1 18 18 TYR H H 1 7.99 0.01 . . . . . . 362 TYR H . 19517 1
55 . 1 1 18 18 TYR C C 13 176.8 0.1 . . . . . . 362 TYR C . 19517 1
56 . 1 1 18 18 TYR CA C 13 59.7 0.1 . . . . . . 362 TYR CA . 19517 1
57 . 1 1 18 18 TYR CB C 13 37.5 0.1 . . . . . . 362 TYR CB . 19517 1
58 . 1 1 18 18 TYR N N 15 119 0.1 . . . . . . 362 TYR N . 19517 1
59 . 1 1 19 19 SER H H 1 7.90 0.01 . . . . . . 363 SER H . 19517 1
60 . 1 1 19 19 SER C C 13 174.9 0.1 . . . . . . 363 SER C . 19517 1
61 . 1 1 19 19 SER CA C 13 59.6 0.1 . . . . . . 363 SER CA . 19517 1
62 . 1 1 19 19 SER CB C 13 62.8 0.1 . . . . . . 363 SER CB . 19517 1
63 . 1 1 19 19 SER N N 15 114.5 0.1 . . . . . . 363 SER N . 19517 1
64 . 1 1 20 20 MET H H 1 7.80 0.01 . . . . . . 364 MET H . 19517 1
65 . 1 1 20 20 MET C C 13 176.4 0.1 . . . . . . 364 MET C . 19517 1
66 . 1 1 20 20 MET CA C 13 56 0.1 . . . . . . 364 MET CA . 19517 1
67 . 1 1 20 20 MET CB C 13 31.9 0.1 . . . . . . 364 MET CB . 19517 1
68 . 1 1 20 20 MET N N 15 120.3 0.1 . . . . . . 364 MET N . 19517 1
69 . 1 1 21 21 VAL H H 1 7.41 0.01 . . . . . . 365 VAL H . 19517 1
70 . 1 1 21 21 VAL C C 13 176.3 0.1 . . . . . . 365 VAL C . 19517 1
71 . 1 1 21 21 VAL CA C 13 62.3 0.1 . . . . . . 365 VAL CA . 19517 1
72 . 1 1 21 21 VAL CB C 13 31.1 0.1 . . . . . . 365 VAL CB . 19517 1
73 . 1 1 21 21 VAL N N 15 116.8 0.1 . . . . . . 365 VAL N . 19517 1
74 . 1 1 22 22 GLY H H 1 7.99 0.01 . . . . . . 366 GLY H . 19517 1
75 . 1 1 22 22 GLY C C 13 174.2 0.1 . . . . . . 366 GLY C . 19517 1
76 . 1 1 22 22 GLY CA C 13 44.8 0.1 . . . . . . 366 GLY CA . 19517 1
77 . 1 1 22 22 GLY N N 15 110.4 0.1 . . . . . . 366 GLY N . 19517 1
78 . 1 1 23 23 ASN H H 1 8.14 0.01 . . . . . . 367 ASN H . 19517 1
79 . 1 1 23 23 ASN C C 13 176.3 0.1 . . . . . . 367 ASN C . 19517 1
80 . 1 1 23 23 ASN CA C 13 54.4 0.1 . . . . . . 367 ASN CA . 19517 1
81 . 1 1 23 23 ASN CB C 13 37.9 0.1 . . . . . . 367 ASN CB . 19517 1
82 . 1 1 23 23 ASN N N 15 118.6 0.1 . . . . . . 367 ASN N . 19517 1
83 . 1 1 24 24 TRP H H 1 7.98 0.01 . . . . . . 368 TRP H . 19517 1
84 . 1 1 24 24 TRP CA C 13 58.9 0.1 . . . . . . 368 TRP CA . 19517 1
85 . 1 1 24 24 TRP N N 15 120 0.1 . . . . . . 368 TRP N . 19517 1
86 . 1 1 25 25 ALA C C 13 178.8 0.1 . . . . . . 369 ALA C . 19517 1
87 . 1 1 25 25 ALA CA C 13 53.6 0.1 . . . . . . 369 ALA CA . 19517 1
88 . 1 1 25 25 ALA CB C 13 17.3 0.1 . . . . . . 369 ALA CB . 19517 1
89 . 1 1 26 26 LYS H H 1 7.87 0.01 . . . . . . 370 LYS H . 19517 1
90 . 1 1 26 26 LYS C C 13 177.6 0.1 . . . . . . 370 LYS C . 19517 1
91 . 1 1 26 26 LYS CA C 13 59.6 0.1 . . . . . . 370 LYS CA . 19517 1
92 . 1 1 26 26 LYS CB C 13 31.6 0.1 . . . . . . 370 LYS CB . 19517 1
93 . 1 1 26 26 LYS N N 15 117.5 0.1 . . . . . . 370 LYS N . 19517 1
94 . 1 1 27 27 VAL H H 1 7.46 0.01 . . . . . . 371 VAL H . 19517 1
95 . 1 1 27 27 VAL C C 13 176.9 0.1 . . . . . . 371 VAL C . 19517 1
96 . 1 1 27 27 VAL CA C 13 65.7 0.1 . . . . . . 371 VAL CA . 19517 1
97 . 1 1 27 27 VAL CB C 13 30.5 0.1 . . . . . . 371 VAL CB . 19517 1
98 . 1 1 27 27 VAL N N 15 117 0.1 . . . . . . 371 VAL N . 19517 1
99 . 1 1 28 28 LEU H H 1 7.93 0.01 . . . . . . 372 LEU H . 19517 1
100 . 1 1 28 28 LEU C C 13 177.9 0.1 . . . . . . 372 LEU C . 19517 1
101 . 1 1 28 28 LEU CA C 13 57.6 0.1 . . . . . . 372 LEU CA . 19517 1
102 . 1 1 28 28 LEU CB C 13 40.5 0.1 . . . . . . 372 LEU CB . 19517 1
103 . 1 1 28 28 LEU N N 15 119 0.1 . . . . . . 372 LEU N . 19517 1
104 . 1 1 29 29 ILE H H 1 7.98 0.01 . . . . . . 373 ILE H . 19517 1
105 . 1 1 29 29 ILE C C 13 176.8 0.1 . . . . . . 373 ILE C . 19517 1
106 . 1 1 29 29 ILE CA C 13 64.6 0.1 . . . . . . 373 ILE CA . 19517 1
107 . 1 1 29 29 ILE CB C 13 36.4 0.1 . . . . . . 373 ILE CB . 19517 1
108 . 1 1 29 29 ILE N N 15 117 0.1 . . . . . . 373 ILE N . 19517 1
109 . 1 1 30 30 VAL H H 1 7.56 0.01 . . . . . . 374 VAL H . 19517 1
110 . 1 1 30 30 VAL C C 13 177.1 0.1 . . . . . . 374 VAL C . 19517 1
111 . 1 1 30 30 VAL CA C 13 66.5 0.1 . . . . . . 374 VAL CA . 19517 1
112 . 1 1 30 30 VAL CB C 13 30 0.1 . . . . . . 374 VAL CB . 19517 1
113 . 1 1 30 30 VAL N N 15 119.1 0.1 . . . . . . 374 VAL N . 19517 1
114 . 1 1 31 31 LEU H H 1 8.14 0.01 . . . . . . 375 LEU H . 19517 1
115 . 1 1 31 31 LEU C C 13 178.8 0.1 . . . . . . 375 LEU C . 19517 1
116 . 1 1 31 31 LEU CA C 13 57.9 0.1 . . . . . . 375 LEU CA . 19517 1
117 . 1 1 31 31 LEU CB C 13 40.4 0.1 . . . . . . 375 LEU CB . 19517 1
118 . 1 1 31 31 LEU N N 15 119.4 0.1 . . . . . . 375 LEU N . 19517 1
119 . 1 1 32 32 LEU H H 1 8.23 0.01 . . . . . . 376 LEU H . 19517 1
120 . 1 1 32 32 LEU C C 13 178.4 0.1 . . . . . . 376 LEU C . 19517 1
121 . 1 1 32 32 LEU CA C 13 57 0.1 . . . . . . 376 LEU CA . 19517 1
122 . 1 1 32 32 LEU CB C 13 40.4 0.1 . . . . . . 376 LEU CB . 19517 1
123 . 1 1 32 32 LEU N N 15 119.7 0.1 . . . . . . 376 LEU N . 19517 1
124 . 1 1 33 33 LEU H H 1 8.31 0.01 . . . . . . 377 LEU H . 19517 1
125 . 1 1 33 33 LEU C C 13 178.9 0.1 . . . . . . 377 LEU C . 19517 1
126 . 1 1 33 33 LEU CA C 13 57.5 0.1 . . . . . . 377 LEU CA . 19517 1
127 . 1 1 33 33 LEU CB C 13 40.6 0.1 . . . . . . 377 LEU CB . 19517 1
128 . 1 1 33 33 LEU N N 15 118.6 0.1 . . . . . . 377 LEU N . 19517 1
129 . 1 1 34 34 PHE H H 1 8.46 0.01 . . . . . . 378 PHE H . 19517 1
130 . 1 1 34 34 PHE C C 13 177.6 0.1 . . . . . . 378 PHE C . 19517 1
131 . 1 1 34 34 PHE CA C 13 60.4 0.1 . . . . . . 378 PHE CA . 19517 1
132 . 1 1 34 34 PHE CB C 13 37.7 0.1 . . . . . . 378 PHE CB . 19517 1
133 . 1 1 34 34 PHE N N 15 118.6 0.1 . . . . . . 378 PHE N . 19517 1
134 . 1 1 35 35 ALA H H 1 8.65 0.01 . . . . . . 379 ALA H . 19517 1
135 . 1 1 35 35 ALA CA C 13 54.4 0.1 . . . . . . 379 ALA CA . 19517 1
136 . 1 1 35 35 ALA N N 15 122 0.1 . . . . . . 379 ALA N . 19517 1
stop_
save_