Content for NMR-STAR saveframe, "assigned_chem_shift_list_2"
save_assigned_chem_shift_list_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2
_Assigned_chem_shift_list.Entry_ID 19517
_Assigned_chem_shift_list.ID 2
_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
1 '3D HNCO' 1 $sample_1 . 19517 2
2 '3D HNCA' 1 $sample_1 . 19517 2
3 '3D HNCACB' 1 $sample_1 . 19517 2
4 '3D HN(CA)CO' 1 $sample_1 . 19517 2
5 '3D HN(CO)CACB' 1 $sample_1 . 19517 2
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 2
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 8.00 0.01 . . . . . . 351 ALA H . 19517 2
2 . 1 1 7 7 ALA C C 13 177.6 0.1 . . . . . . 351 ALA CO . 19517 2
3 . 1 1 7 7 ALA CA C 13 51.8 0.1 . . . . . . 351 ALA CA . 19517 2
4 . 1 1 7 7 ALA CB C 13 18.0 0.1 . . . . . . 351 ALA CB . 19517 2
5 . 1 1 7 7 ALA N N 15 124.6 0.1 . . . . . . 351 ALA N . 19517 2
6 . 1 1 8 8 HIS H H 1 8.16 0.01 . . . . . . 352 HIS H . 19517 2
7 . 1 1 8 8 HIS C C 13 178.2 0.1 . . . . . . 352 HIS CO . 19517 2
8 . 1 1 8 8 HIS CA C 13 55.2 0.1 . . . . . . 352 HIS CA . 19517 2
9 . 1 1 8 8 HIS CB C 13 28.3 0.1 . . . . . . 352 HIS CB . 19517 2
10 . 1 1 8 8 HIS N N 15 118.5 0.1 . . . . . . 352 HIS N . 19517 2
11 . 1 1 9 9 TRP H H 1 7.91 0.01 . . . . . . 353 TRP H . 19517 2
12 . 1 1 9 9 TRP C C 13 177.1 0.1 . . . . . . 353 TRP CO . 19517 2
13 . 1 1 9 9 TRP CA C 13 57.8 0.1 . . . . . . 353 TRP CA . 19517 2
14 . 1 1 9 9 TRP CB C 13 28.7 0.1 . . . . . . 353 TRP CB . 19517 2
15 . 1 1 9 9 TRP N N 15 121 0.1 . . . . . . 353 TRP N . 19517 2
16 . 1 1 10 10 GLY H H 1 8.25 0.01 . . . . . . 354 GLY H . 19517 2
17 . 1 1 10 10 GLY C C 13 176 0.1 . . . . . . 354 GLY CO . 19517 2
18 . 1 1 10 10 GLY CA C 13 46.0 0.1 . . . . . . 354 GLY CA . 19517 2
19 . 1 1 10 10 GLY N N 15 108.6 0.1 . . . . . . 354 GLY N . 19517 2
20 . 1 1 11 11 VAL H H 1 7.63 0.01 . . . . . . 355 VAL H . 19517 2
21 . 1 1 11 11 VAL C C 13 177.5 0.1 . . . . . . 355 VAL CO . 19517 2
22 . 1 1 11 11 VAL CA C 13 63.9 0.1 . . . . . . 355 VAL CA . 19517 2
23 . 1 1 11 11 VAL CB C 13 30.6 0.1 . . . . . . 355 VAL CB . 19517 2
24 . 1 1 11 11 VAL N N 15 120.8 0.1 . . . . . . 355 VAL N . 19517 2
25 . 1 1 12 12 LEU H H 1 8.23 0.01 . . . . . . 356 LEU H . 19517 2
26 . 1 1 12 12 LEU C C 13 178.5 0.1 . . . . . . 356 LEU CO . 19517 2
27 . 1 1 12 12 LEU CA C 13 57.4 0.1 . . . . . . 356 LEU CA . 19517 2
28 . 1 1 12 12 LEU N N 15 119.9 0.1 . . . . . . 356 LEU N . 19517 2
29 . 1 1 13 13 ALA H H 1 7.92 0.01 . . . . . . 357 ALA H . 19517 2
30 . 1 1 13 13 ALA C C 13 179.4 0.1 . . . . . . 357 ALA CO . 19517 2
31 . 1 1 13 13 ALA CA C 13 52.4 0.1 . . . . . . 357 ALA CA . 19517 2
32 . 1 1 13 13 ALA CB C 13 17.1 0.1 . . . . . . 357 ALA CB . 19517 2
33 . 1 1 13 13 ALA N N 15 121 0.1 . . . . . . 357 ALA N . 19517 2
34 . 1 1 14 14 GLY H H 1 7.90 0.01 . . . . . . 358 GLY H . 19517 2
35 . 1 1 14 14 GLY C C 13 176 0.1 . . . . . . 358 GLY CO . 19517 2
36 . 1 1 14 14 GLY CA C 13 45.9 0.1 . . . . . . 358 GLY CA . 19517 2
37 . 1 1 14 14 GLY N N 15 105.1 0.1 . . . . . . 358 GLY N . 19517 2
38 . 1 1 15 15 ILE H H 1 7.72 0.01 . . . . . . 359 ILE H . 19517 2
39 . 1 1 15 15 ILE C C 13 177.6 0.1 . . . . . . 359 ILE CO . 19517 2
40 . 1 1 15 15 ILE CA C 13 56.0 0.1 . . . . . . 359 ILE CA . 19517 2
41 . 1 1 15 15 ILE CB C 13 37.9 0.1 . . . . . . 359 ILE CB . 19517 2
42 . 1 1 15 15 ILE N N 15 121.3 0.1 . . . . . . 359 ILE N . 19517 2
43 . 1 1 16 16 ALA C C 13 178.7 0.1 . . . . . . 360 ALA CO . 19517 2
44 . 1 1 16 16 ALA CA C 13 53.7 0.1 . . . . . . 360 ALA CA . 19517 2
45 . 1 1 16 16 ALA CB C 13 17.1 0.1 . . . . . . 360 ALA CB . 19517 2
46 . 1 1 17 17 TYR H H 1 7.82 0.01 . . . . . . 361 TYR H . 19517 2
47 . 1 1 17 17 TYR C C 13 177.1 0.1 . . . . . . 361 TYR CO . 19517 2
48 . 1 1 17 17 TYR CA C 13 59.8 0.1 . . . . . . 361 TYR CA . 19517 2
49 . 1 1 17 17 TYR CB C 13 36.5 0.1 . . . . . . 361 TYR CB . 19517 2
50 . 1 1 17 17 TYR N N 15 117.4 0.1 . . . . . . 361 TYR N . 19517 2
51 . 1 1 18 18 TYR H H 1 7.97 0.01 . . . . . . 362 TYR H . 19517 2
52 . 1 1 18 18 TYR C C 13 177.6 0.1 . . . . . . 362 TYR CO . 19517 2
53 . 1 1 18 18 TYR CA C 13 60.1 0.1 . . . . . . 362 TYR CA . 19517 2
54 . 1 1 18 18 TYR CB C 13 36.8 0.1 . . . . . . 362 TYR CB . 19517 2
55 . 1 1 18 18 TYR N N 15 115.2 0.1 . . . . . . 362 TYR N . 19517 2
56 . 1 1 19 19 SER H H 1 7.82 0.01 . . . . . . 363 SER H . 19517 2
57 . 1 1 19 19 SER C C 13 175.7 0.1 . . . . . . 363 SER CO . 19517 2
58 . 1 1 19 19 SER CA C 13 60.6 0.1 . . . . . . 363 SER CA . 19517 2
59 . 1 1 19 19 SER CB C 13 62.3 0.1 . . . . . . 363 SER CB . 19517 2
60 . 1 1 19 19 SER N N 15 115.2 0.1 . . . . . . 363 SER N . 19517 2
61 . 1 1 20 20 MET H H 1 7.69 0.01 . . . . . . 364 MET H . 19517 2
62 . 1 1 20 20 MET C C 13 177.3 0.1 . . . . . . 364 MET CO . 19517 2
63 . 1 1 20 20 MET CA C 13 57.1 0.1 . . . . . . 364 MET CA . 19517 2
64 . 1 1 20 20 MET CB C 13 31.3 0.1 . . . . . . 364 MET CB . 19517 2
65 . 1 1 20 20 MET N N 15 120.6 0.1 . . . . . . 364 MET N . 19517 2
66 . 1 1 21 21 VAL H H 1 7.66 0.01 . . . . . . 365 VAL H . 19517 2
67 . 1 1 21 21 VAL C C 13 177.4 0.1 . . . . . . 365 VAL CO . 19517 2
68 . 1 1 21 21 VAL CA C 13 64.4 0.1 . . . . . . 365 VAL CA . 19517 2
69 . 1 1 21 21 VAL CB C 13 30.2 0.1 . . . . . . 365 VAL CB . 19517 2
70 . 1 1 21 21 VAL N N 15 117.4 0.1 . . . . . . 365 VAL N . 19517 2
71 . 1 1 22 22 GLY H H 1 7.88 0.01 . . . . . . 366 GLY H . 19517 2
72 . 1 1 22 22 GLY C C 13 175 0.1 . . . . . . 366 GLY CO . 19517 2
73 . 1 1 22 22 GLY CA C 13 45.7 0.1 . . . . . . 366 GLY CA . 19517 2
74 . 1 1 22 22 GLY N N 15 107.6 0.1 . . . . . . 366 GLY N . 19517 2
75 . 1 1 23 23 ASN H H 1 7.71 0.01 . . . . . . 367 ASN H . 19517 2
76 . 1 1 23 23 ASN C C 13 176.8 0.1 . . . . . . 367 ASN CO . 19517 2
77 . 1 1 23 23 ASN CA C 13 54.3 0.1 . . . . . . 367 ASN CA . 19517 2
78 . 1 1 23 23 ASN CB C 13 38.2 0.1 . . . . . . 367 ASN CB . 19517 2
79 . 1 1 23 23 ASN N N 15 118.3 0.1 . . . . . . 367 ASN N . 19517 2
80 . 1 1 24 24 TRP H H 1 7.77 0.01 . . . . . . 368 TRP H . 19517 2
81 . 1 1 24 24 TRP C C 13 177.2 0.1 . . . . . . 368 TRP CO . 19517 2
82 . 1 1 24 24 TRP CA C 13 58.8 0.1 . . . . . . 368 TRP CA . 19517 2
83 . 1 1 24 24 TRP CB C 13 28.3 0.1 . . . . . . 368 TRP CB . 19517 2
84 . 1 1 24 24 TRP N N 15 121.3 0.1 . . . . . . 368 TRP N . 19517 2
85 . 1 1 25 25 ALA H H 1 7.99 0.01 . . . . . . 369 ALA H . 19517 2
86 . 1 1 25 25 ALA C C 13 178.9 0.1 . . . . . . 369 ALA CO . 19517 2
87 . 1 1 25 25 ALA CA C 13 54.5 0.1 . . . . . . 369 ALA CA . 19517 2
88 . 1 1 25 25 ALA CB C 13 16.8 0.1 . . . . . . 369 ALA CB . 19517 2
89 . 1 1 25 25 ALA N N 15 121.2 0.1 . . . . . . 369 ALA N . 19517 2
90 . 1 1 26 26 LYS H H 1 7.47 0.01 . . . . . . 370 LYS H . 19517 2
91 . 1 1 26 26 LYS C C 13 178.1 0.1 . . . . . . 370 LYS CO . 19517 2
92 . 1 1 26 26 LYS CA C 13 58.6 0.1 . . . . . . 370 LYS CA . 19517 2
93 . 1 1 26 26 LYS CB C 13 31.1 0.1 . . . . . . 370 LYS CB . 19517 2
94 . 1 1 26 26 LYS N N 15 116.3 0.1 . . . . . . 370 LYS N . 19517 2
95 . 1 1 27 27 VAL H H 1 7.46 0.01 . . . . . . 371 VAL H . 19517 2
96 . 1 1 27 27 VAL C C 13 177.4 0.1 . . . . . . 371 VAL CO . 19517 2
97 . 1 1 27 27 VAL CA C 13 65.1 0.1 . . . . . . 371 VAL CA . 19517 2
98 . 1 1 27 27 VAL CB C 13 30.4 0.1 . . . . . . 371 VAL CB . 19517 2
99 . 1 1 27 27 VAL N N 15 118 0.1 . . . . . . 371 VAL N . 19517 2
100 . 1 1 28 28 LEU H H 1 7.69 0.01 . . . . . . 372 LEU H . 19517 2
101 . 1 1 28 28 LEU C C 13 178.1 0.1 . . . . . . 372 LEU CO . 19517 2
102 . 1 1 28 28 LEU CA C 13 57.2 0.1 . . . . . . 372 LEU CA . 19517 2
103 . 1 1 28 28 LEU CB C 13 40.2 0.1 . . . . . . 372 LEU CB . 19517 2
104 . 1 1 28 28 LEU N N 15 119.1 0.1 . . . . . . 372 LEU N . 19517 2
105 . 1 1 29 29 ILE H H 1 7.71 0.01 . . . . . . 373 ILE H . 19517 2
106 . 1 1 29 29 ILE C C 13 177.6 0.1 . . . . . . 373 ILE CO . 19517 2
107 . 1 1 29 29 ILE CA C 13 63.8 0.1 . . . . . . 373 ILE CA . 19517 2
108 . 1 1 29 29 ILE CB C 13 36.0 0.1 . . . . . . 373 ILE CB . 19517 2
109 . 1 1 29 29 ILE N N 15 117.6 0.1 . . . . . . 373 ILE N . 19517 2
110 . 1 1 30 30 VAL H H 1 7.52 0.01 . . . . . . 374 VAL H . 19517 2
111 . 1 1 30 30 VAL C C 13 177.9 0.1 . . . . . . 374 VAL CO . 19517 2
112 . 1 1 30 30 VAL CA C 13 65.7 0.1 . . . . . . 374 VAL CA . 19517 2
113 . 1 1 30 30 VAL CB C 13 29.9 0.1 . . . . . . 374 VAL CB . 19517 2
114 . 1 1 30 30 VAL N N 15 119.5 0.1 . . . . . . 374 VAL N . 19517 2
115 . 1 1 31 31 LEU H H 1 7.83 0.01 . . . . . . 375 LEU H . 19517 2
116 . 1 1 31 31 LEU C C 13 176.8 0.1 . . . . . . 375 LEU CO . 19517 2
117 . 1 1 31 31 LEU CA C 13 57.3 0.1 . . . . . . 375 LEU CA . 19517 2
118 . 1 1 31 31 LEU N N 15 119.8 0.1 . . . . . . 375 LEU N . 19517 2
119 . 1 1 32 32 LEU H H 1 7.93 0.01 . . . . . . 376 LEU H . 19517 2
120 . 1 1 32 32 LEU CA C 13 55.8 0.1 . . . . . . 376 LEU CA . 19517 2
121 . 1 1 32 32 LEU CB C 13 37.4 0.1 . . . . . . 376 LEU CB . 19517 2
122 . 1 1 32 32 LEU N N 15 118.9 0.1 . . . . . . 376 LEU N . 19517 2
123 . 1 1 33 33 LEU H H 1 7.93 0.01 . . . . . . 377 LEU H . 19517 2
124 . 1 1 33 33 LEU C C 13 179.5 0.1 . . . . . . 377 LEU CO . 19517 2
125 . 1 1 33 33 LEU CA C 13 56.4 0.1 . . . . . . 377 LEU CA . 19517 2
126 . 1 1 33 33 LEU CB C 13 40.5 0.1 . . . . . . 377 LEU CB . 19517 2
127 . 1 1 33 33 LEU N N 15 118.9 0.1 . . . . . . 377 LEU N . 19517 2
128 . 1 1 34 34 PHE H H 1 7.96 0.01 . . . . . . 378 PHE H . 19517 2
129 . 1 1 34 34 PHE CA C 13 58.6 0.1 . . . . . . 378 PHE CA . 19517 2
130 . 1 1 34 34 PHE N N 15 118.9 0.1 . . . . . . 378 PHE N . 19517 2
131 . 1 1 35 35 ALA H H 1 7.85 0.01 . . . . . . 379 ALA H . 19517 2
132 . 1 1 35 35 ALA C C 13 177.7 0.1 . . . . . . 379 ALA CO . 19517 2
133 . 1 1 35 35 ALA CA C 13 52.4 0.1 . . . . . . 379 ALA CA . 19517 2
134 . 1 1 35 35 ALA CB C 13 18.0 0.1 . . . . . . 379 ALA CB . 19517 2
135 . 1 1 35 35 ALA N N 15 121.2 0.1 . . . . . . 379 ALA N . 19517 2
136 . 1 1 36 36 GLY H H 1 7.81 0.01 . . . . . . 380 GLY H . 19517 2
137 . 1 1 36 36 GLY C C 13 174.5 0.1 . . . . . . 380 GLY CO . 19517 2
138 . 1 1 36 36 GLY CA C 13 44.9 0.1 . . . . . . 380 GLY CA . 19517 2
139 . 1 1 36 36 GLY N N 15 106.2 0.1 . . . . . . 380 GLY N . 19517 2
140 . 1 1 37 37 VAL H H 1 7.71 0.01 . . . . . . 381 VAL H . 19517 2
141 . 1 1 37 37 VAL C C 13 176.2 0.1 . . . . . . 381 VAL CO . 19517 2
142 . 1 1 37 37 VAL CA C 13 62.0 0.1 . . . . . . 381 VAL CA . 19517 2
143 . 1 1 37 37 VAL CB C 13 33.0 0.1 . . . . . . 381 VAL CB . 19517 2
144 . 1 1 37 37 VAL N N 15 119.7 0.1 . . . . . . 381 VAL N . 19517 2
145 . 1 1 38 38 ASP H H 1 8.44 0.01 . . . . . . 382 ASP H . 19517 2
146 . 1 1 38 38 ASP C C 13 176.1 0.1 . . . . . . 382 ASP CO . 19517 2
147 . 1 1 38 38 ASP CA C 13 53.5 0.1 . . . . . . 382 ASP CA . 19517 2
148 . 1 1 38 38 ASP CB C 13 40.1 0.1 . . . . . . 382 ASP CB . 19517 2
149 . 1 1 38 38 ASP N N 15 122.8 0.1 . . . . . . 382 ASP N . 19517 2
150 . 1 1 39 39 ALA H H 1 7.99 0.01 . . . . . . 383 ALA H . 19517 2
151 . 1 1 39 39 ALA C C 13 178 0.1 . . . . . . 383 ALA CO . 19517 2
152 . 1 1 39 39 ALA CA C 13 52.6 0.1 . . . . . . 383 ALA CA . 19517 2
153 . 1 1 39 39 ALA CB C 13 18.1 0.1 . . . . . . 383 ALA CB . 19517 2
154 . 1 1 39 39 ALA N N 15 125.2 0.1 . . . . . . 383 ALA N . 19517 2
155 . 1 1 40 40 GLU H H 1 8.08 0.01 . . . . . . 384 GLU H . 19517 2
156 . 1 1 40 40 GLU CA C 13 56.0 0.1 . . . . . . 384 GLU CA . 19517 2
157 . 1 1 40 40 GLU N N 15 118.3 0.1 . . . . . . 384 GLU N . 19517 2
stop_
save_