Content for NMR-STAR saveframe, "assigned_chemical_shifts_3"
save_assigned_chemical_shifts_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3
_Assigned_chem_shift_list.Entry_ID 51785
_Assigned_chem_shift_list.ID 3
_Assigned_chem_shift_list.Name assignments_deuterated_doubled
_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 'Residues already contained in assigned_chemical_shifts_1 that show a second set of signals. (Peak doubling)'
_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/HMQC' . . . 51785 3
2 '3D HNCO' . . . 51785 3
3 '3D HN(CO)CA' . . . 51785 3
4 'Expt_9 (H[N[co[ca[CB]]]])' . . . 51785 3
5 'Expt_13 (H[N[ca[CO]]])' . . . 51785 3
6 'Expt_14 (H[N_[CA]].onebond)' . . . 51785 3
7 'Expt_15 (H[N[ca[CB]]])' . . . 51785 3
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 . . 51785 3
2 $software_2 . . 51785 3
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 17 17 LEU H H 1 8.054 0.005 . 1 . . 986 . . 44 LEU H . 51785 3
2 . 1 . 1 17 17 LEU CA C 13 52.105 . . 1 . . 988 . . 44 LEU CA . 51785 3
3 . 1 . 1 17 17 LEU CB C 13 44.790 . . 1 . . 989 . . 44 LEU CB . 51785 3
4 . 1 . 1 17 17 LEU N N 15 125.494 0.047 . 1 . . 987 . . 44 LEU N . 51785 3
5 . 1 . 1 20 20 SER H H 1 8.844 0.01 . 1 . . 52 . . 47 SER H . 51785 3
6 . 1 . 1 20 20 SER CA C 13 56.044 0.067 . 1 . . 51 . . 47 SER CA . 51785 3
7 . 1 . 1 20 20 SER CB C 13 62.957 . . 1 . . 485 . . 47 SER CB . 51785 3
8 . 1 . 1 20 20 SER N N 15 119.115 0.02 . 1 . . 53 . . 47 SER N . 51785 3
9 . 1 . 1 21 21 ALA H H 1 8.769 0.004 . 1 . . 753 . . 48 ALA H . 51785 3
10 . 1 . 1 21 21 ALA C C 13 174.751 0.007 . 1 . . 863 . . 48 ALA C . 51785 3
11 . 1 . 1 21 21 ALA CA C 13 49.888 0.063 . 1 . . 755 . . 48 ALA CA . 51785 3
12 . 1 . 1 21 21 ALA CB C 13 19.867 0.003 . 1 . . 756 . . 48 ALA CB . 51785 3
13 . 1 . 1 21 21 ALA N N 15 128.928 0.082 . 1 . . 754 . . 48 ALA N . 51785 3
14 . 1 . 1 22 22 LYS H H 1 8.708 0.001 . 1 . . 1263 . . 49 LYS H . 51785 3
15 . 1 . 1 22 22 LYS C C 13 174.624 . . 1 . . 1267 . . 49 LYS C . 51785 3
16 . 1 . 1 22 22 LYS CA C 13 54.412 . . 1 . . 1266 . . 49 LYS CA . 51785 3
17 . 1 . 1 22 22 LYS CB C 13 34.803 . . 1 . . 1265 . . 49 LYS CB . 51785 3
18 . 1 . 1 22 22 LYS N N 15 123.488 0.164 . 1 . . 1264 . . 49 LYS N . 51785 3
19 . 1 . 1 30 30 LEU H H 1 8.806 0.005 . 1 . . 497 . . 57 LEU H . 51785 3
20 . 1 . 1 30 30 LEU CA C 13 53.539 . . 1 . . 500 . . 57 LEU CA . 51785 3
21 . 1 . 1 30 30 LEU CB C 13 46.214 0.032 . 1 . . 499 . . 57 LEU CB . 51785 3
22 . 1 . 1 30 30 LEU N N 15 120.763 0.037 . 1 . . 498 . . 57 LEU N . 51785 3
23 . 1 . 1 36 36 GLY H H 1 9.025 0.034 . 1 . . 513 . . 63 GLY H . 51785 3
24 . 1 . 1 36 36 GLY C C 13 175.069 0.039 . 1 . . 516 . . 63 GLY C . 51785 3
25 . 1 . 1 36 36 GLY CA C 13 44.056 0.057 . 1 . . 514 . . 63 GLY CA . 51785 3
26 . 1 . 1 36 36 GLY N N 15 112.698 0.072 . 1 . . 512 . . 63 GLY N . 51785 3
27 . 1 . 1 41 41 LYS H H 1 9.303 0.013 . 1 . . 994 . . 68 LYS H . 51785 3
28 . 1 . 1 41 41 LYS CA C 13 53.598 0.111 . 1 . . 996 . . 68 LYS CA . 51785 3
29 . 1 . 1 41 41 LYS CB C 13 34.478 . . 1 . . 997 . . 68 LYS CB . 51785 3
30 . 1 . 1 41 41 LYS N N 15 126.946 0.073 . 1 . . 995 . . 68 LYS N . 51785 3
31 . 1 . 1 56 56 VAL H H 1 7.074 0.016 . 1 . . 536 . . 83 VAL H . 51785 3
32 . 1 . 1 56 56 VAL C C 13 173.598 . . 1 . . 540 . . 83 VAL C . 51785 3
33 . 1 . 1 56 56 VAL CA C 13 61.751 0.0 . 1 . . 538 . . 83 VAL CA . 51785 3
34 . 1 . 1 56 56 VAL CB C 13 31.010 0.097 . 1 . . 539 . . 83 VAL CB . 51785 3
35 . 1 . 1 56 56 VAL N N 15 116.966 0.064 . 1 . . 537 . . 83 VAL N . 51785 3
36 . 1 . 1 58 58 MET H H 1 10.254 0.003 . 1 . . 543 . . 85 MET H . 51785 3
37 . 1 . 1 58 58 MET C C 13 174.377 0.033 . 1 . . 547 . . 85 MET C . 51785 3
38 . 1 . 1 58 58 MET CA C 13 54.275 . . 1 . . 545 . . 85 MET CA . 51785 3
39 . 1 . 1 58 58 MET CB C 13 34.785 0.067 . 1 . . 546 . . 85 MET CB . 51785 3
40 . 1 . 1 58 58 MET N N 15 129.755 0.038 . 1 . . 544 . . 85 MET N . 51785 3
41 . 1 . 1 59 59 ALA H H 1 8.445 0.003 . 1 . . 864 . . 86 ALA H . 51785 3
42 . 1 . 1 59 59 ALA C C 13 174.015 . . 1 . . 868 . . 86 ALA C . 51785 3
43 . 1 . 1 59 59 ALA CA C 13 49.448 0.067 . 1 . . 867 . . 86 ALA CA . 51785 3
44 . 1 . 1 59 59 ALA CB C 13 22.089 0.021 . 1 . . 866 . . 86 ALA CB . 51785 3
45 . 1 . 1 59 59 ALA N N 15 125.362 0.019 . 1 . . 865 . . 86 ALA N . 51785 3
46 . 1 . 1 79 79 LEU H H 1 8.418 0.007 . 1 . . 725 . . 106 LEU H . 51785 3
47 . 1 . 1 79 79 LEU CA C 13 57.411 . . 1 . . 727 . . 106 LEU CA . 51785 3
48 . 1 . 1 79 79 LEU CB C 13 40.849 . . 1 . . 1282 . . 106 LEU CB . 51785 3
49 . 1 . 1 79 79 LEU N N 15 119.426 0.036 . 1 . . 726 . . 106 LEU N . 51785 3
50 . 1 . 1 80 80 SER H H 1 7.771 0.02 . 1 . . 1283 . . 107 SER H . 51785 3
51 . 1 . 1 80 80 SER CA C 13 58.840 . . 1 . . 1286 . . 107 SER CA . 51785 3
52 . 1 . 1 80 80 SER CB C 13 63.065 . . 1 . . 1285 . . 107 SER CB . 51785 3
53 . 1 . 1 80 80 SER N N 15 108.147 0.097 . 1 . . 1284 . . 107 SER N . 51785 3
54 . 1 . 1 81 81 GLN H H 1 8.075 0.009 . 1 . . 1287 . . 108 GLN H . 51785 3
55 . 1 . 1 81 81 GLN CA C 13 54.188 . . 1 . . 1364 . . 108 GLN CA . 51785 3
56 . 1 . 1 81 81 GLN CB C 13 27.137 . . 1 . . 1363 . . 108 GLN CB . 51785 3
57 . 1 . 1 81 81 GLN N N 15 119.292 0.028 . 1 . . 1288 . . 108 GLN N . 51785 3
58 . 1 . 1 116 116 ALA H H 1 8.999 0.013 . 1 . . 591 . . 143 ALA H . 51785 3
59 . 1 . 1 116 116 ALA C C 13 179.694 0.053 . 1 . . 388 . . 143 ALA C . 51785 3
60 . 1 . 1 116 116 ALA CA C 13 52.934 0.003 . 1 . . 594 . . 143 ALA CA . 51785 3
61 . 1 . 1 116 116 ALA CB C 13 19.485 0.019 . 1 . . 595 . . 143 ALA CB . 51785 3
62 . 1 . 1 116 116 ALA N N 15 124.211 0.087 . 1 . . 592 . . 143 ALA N . 51785 3
63 . 1 . 1 123 123 ALA H H 1 8.115 0.003 . 1 . . 1300 . . 150 ALA H . 51785 3
64 . 1 . 1 123 123 ALA C C 13 179.493 . . 1 . . 1304 . . 150 ALA C . 51785 3
65 . 1 . 1 123 123 ALA CA C 13 54.304 . . 1 . . 1303 . . 150 ALA CA . 51785 3
66 . 1 . 1 123 123 ALA CB C 13 17.420 . . 1 . . 1302 . . 150 ALA CB . 51785 3
67 . 1 . 1 123 123 ALA N N 15 118.074 0.059 . 1 . . 1301 . . 150 ALA N . 51785 3
68 . 1 . 1 142 142 ASN H H 1 9.728 0.02 . 1 . . 745 . . 169 ASN H . 51785 3
69 . 1 . 1 142 142 ASN C C 13 174.159 . . 1 . . 1095 . . 169 ASN C . 51785 3
70 . 1 . 1 142 142 ASN CA C 13 53.238 . . 1 . . 747 . . 169 ASN CA . 51785 3
71 . 1 . 1 142 142 ASN CB C 13 38.454 . . 1 . . 1096 . . 169 ASN CB . 51785 3
72 . 1 . 1 142 142 ASN N N 15 128.334 0.049 . 1 . . 746 . . 169 ASN N . 51785 3
73 . 1 . 1 153 153 GLU H H 1 8.791 0.004 . 1 . . 1223 . . 180 GLU H . 51785 3
74 . 1 . 1 153 153 GLU CA C 13 57.931 . . 1 . . 1224 . . 180 GLU CA . 51785 3
75 . 1 . 1 153 153 GLU CB C 13 30.541 . . 1 . . 1225 . . 180 GLU CB . 51785 3
76 . 1 . 1 153 153 GLU N N 15 118.979 0.079 . 1 . . 1222 . . 180 GLU N . 51785 3
77 . 1 . 1 174 174 LYS H H 1 9.383 0.018 . 1 . . 1319 . . 201 LYS H . 51785 3
78 . 1 . 1 174 174 LYS C C 13 174.637 . . 1 . . 1320 . . 201 LYS C . 51785 3
79 . 1 . 1 174 174 LYS CA C 13 56.481 . . 1 . . 1317 . . 201 LYS CA . 51785 3
80 . 1 . 1 174 174 LYS CB C 13 31.556 . . 1 . . 1321 . . 201 LYS CB . 51785 3
81 . 1 . 1 174 174 LYS N N 15 130.637 0.126 . 1 . . 1318 . . 201 LYS N . 51785 3
82 . 1 . 1 190 190 TYR H H 1 7.546 0.023 . 1 . . 1329 . . 217 TYR H . 51785 3
83 . 1 . 1 190 190 TYR C C 13 176.769 . . 1 . . 1331 . . 217 TYR C . 51785 3
84 . 1 . 1 190 190 TYR CA C 13 57.371 . . 1 . . 1330 . . 217 TYR CA . 51785 3
85 . 1 . 1 190 190 TYR CB C 13 37.511 . . 1 . . 1327 . . 217 TYR CB . 51785 3
86 . 1 . 1 190 190 TYR N N 15 116.079 0.05 . 1 . . 1328 . . 217 TYR N . 51785 3
87 . 1 . 1 203 203 ALA H H 1 9.395 0.003 . 1 . . 1332 . . 230 ALA H . 51785 3
88 . 1 . 1 203 203 ALA C C 13 176.736 . . 1 . . 1336 . . 230 ALA C . 51785 3
89 . 1 . 1 203 203 ALA CA C 13 49.419 0.053 . 1 . . 1335 . . 230 ALA CA . 51785 3
90 . 1 . 1 203 203 ALA CB C 13 21.665 0.042 . 1 . . 1334 . . 230 ALA CB . 51785 3
91 . 1 . 1 203 203 ALA N N 15 130.809 0.072 . 1 . . 1333 . . 230 ALA N . 51785 3
92 . 1 . 1 204 204 THR H H 1 8.271 0.013 . 1 . . 649 . . 231 THR H . 51785 3
93 . 1 . 1 204 204 THR C C 13 173.978 0.014 . 1 . . 1337 . . 231 THR C . 51785 3
94 . 1 . 1 204 204 THR CA C 13 58.004 0.006 . 1 . . 651 . . 231 THR CA . 51785 3
95 . 1 . 1 204 204 THR CB C 13 70.833 0.022 . 1 . . 652 . . 231 THR CB . 51785 3
96 . 1 . 1 204 204 THR N N 15 110.990 0.041 . 1 . . 650 . . 231 THR N . 51785 3
97 . 1 . 1 205 205 GLN H H 1 7.497 0.011 . 1 . . 654 . . 232 GLN H . 51785 3
98 . 1 . 1 205 205 GLN C C 13 177.149 . . 1 . . 658 . . 232 GLN C . 51785 3
99 . 1 . 1 205 205 GLN CA C 13 53.528 0.005 . 1 . . 656 . . 232 GLN CA . 51785 3
100 . 1 . 1 205 205 GLN CB C 13 31.931 0.012 . 1 . . 657 . . 232 GLN CB . 51785 3
101 . 1 . 1 205 205 GLN N N 15 114.882 0.059 . 1 . . 655 . . 232 GLN N . 51785 3
102 . 1 . 1 211 211 ILE H H 1 8.782 0.001 . 1 . . 1340 . . 238 ILE H . 51785 3
103 . 1 . 1 211 211 ILE C C 13 176.940 0.015 . 1 . . 433 . . 238 ILE C . 51785 3
104 . 1 . 1 211 211 ILE CA C 13 61.564 . . 1 . . 1341 . . 238 ILE CA . 51785 3
105 . 1 . 1 211 211 ILE CB C 13 36.265 . . 1 . . 1338 . . 238 ILE CB . 51785 3
106 . 1 . 1 211 211 ILE N N 15 129.678 0.031 . 1 . . 1339 . . 238 ILE N . 51785 3
107 . 1 . 1 228 228 ALA C C 13 177.220 . . 1 . . 1040 . . 255 ALA C . 51785 3
108 . 1 . 1 228 228 ALA CA C 13 51.206 . . 1 . . 1039 . . 255 ALA CA . 51785 3
109 . 1 . 1 228 228 ALA CB C 13 19.792 . . 1 . . 1038 . . 255 ALA CB . 51785 3
110 . 1 . 1 229 229 HIS H H 1 3.139 0.02 . 1 . . 1041 . . 256 HIS H . 51785 3
111 . 1 . 1 229 229 HIS C C 13 173.221 . . 1 . . 1354 . . 256 HIS C . 51785 3
112 . 1 . 1 229 229 HIS CA C 13 57.755 0.03 . 1 . . 1043 . . 256 HIS CA . 51785 3
113 . 1 . 1 229 229 HIS CB C 13 25.038 0.004 . 1 . . 1044 . . 256 HIS CB . 51785 3
114 . 1 . 1 229 229 HIS N N 15 104.073 0.147 . 1 . . 1042 . . 256 HIS N . 51785 3
115 . 1 . 1 231 231 GLU H H 1 7.750 0.003 . 1 . . 571 . . 258 GLU H . 51785 3
116 . 1 . 1 231 231 GLU C C 13 175.717 . . 1 . . 573 . . 258 GLU C . 51785 3
117 . 1 . 1 231 231 GLU CA C 13 52.090 . . 1 . . 574 . . 258 GLU CA . 51785 3
118 . 1 . 1 231 231 GLU CB C 13 33.402 . . 1 . . 575 . . 258 GLU CB . 51785 3
119 . 1 . 1 231 231 GLU N N 15 111.558 0.014 . 1 . . 572 . . 258 GLU N . 51785 3
stop_
save_