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 19791
_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 .
_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 '2D 1H-15N HSQC' . . . 19791 2
4 '2D 1H-13C HSQC' . . . 19791 2
9 '2D 1H-13C HSQC aromatic' . . . 19791 2
14 '3D HNCO' . . . 19791 2
16 '3D HNCACB' . . . 19791 2
18 '3D HCCH-TOCSY' . . . 19791 2
20 '3D H(CCO)NH' . . . 19791 2
22 '3D HCCH-COSY' . . . 19791 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 . 2 2 1 1 ASP HA H 1 4.552 0.006 . 1 . . . B 453 ASP HA . 19791 2
2 . 2 2 1 1 ASP HB2 H 1 2.612 0.005 . 2 . . . B 453 ASP HB2 . 19791 2
3 . 2 2 1 1 ASP HB3 H 1 2.717 0.001 . 2 . . . B 453 ASP HB3 . 19791 2
4 . 2 2 1 1 ASP H H 1 8.081 0.004 . 1 . . . B 453 ASP H1 . 19791 2
5 . 2 2 1 1 ASP C C 13 177.981 0.000 . 1 . . . B 453 ASP C . 19791 2
6 . 2 2 1 1 ASP CA C 13 54.500 0.000 . 1 . . . B 453 ASP CA . 19791 2
7 . 2 2 1 1 ASP CB C 13 41.000 0.000 . 1 . . . B 453 ASP CB . 19791 2
8 . 2 2 1 1 ASP N N 15 118.476 0.052 . 1 . . . B 453 ASP N . 19791 2
9 . 2 2 2 2 LEU H H 1 7.853 0.004 . 1 . . . B 454 LEU H . 19791 2
10 . 2 2 2 2 LEU HA H 1 4.261 0.004 . 1 . . . B 454 LEU HA . 19791 2
11 . 2 2 2 2 LEU HB2 H 1 1.573 0.005 . 2 . . . B 454 LEU HB2 . 19791 2
12 . 2 2 2 2 LEU HB3 H 1 1.648 0.001 . 2 . . . B 454 LEU HB3 . 19791 2
13 . 2 2 2 2 LEU HG H 1 1.575 0.003 . 1 . . . B 454 LEU HG . 19791 2
14 . 2 2 2 2 LEU HD11 H 1 0.849 0.002 . 2 . . . B 454 LEU HD11 . 19791 2
15 . 2 2 2 2 LEU HD12 H 1 0.849 0.002 . 2 . . . B 454 LEU HD12 . 19791 2
16 . 2 2 2 2 LEU HD13 H 1 0.849 0.002 . 2 . . . B 454 LEU HD13 . 19791 2
17 . 2 2 2 2 LEU HD21 H 1 0.787 0.001 . 2 . . . B 454 LEU HD21 . 19791 2
18 . 2 2 2 2 LEU HD22 H 1 0.787 0.001 . 2 . . . B 454 LEU HD22 . 19791 2
19 . 2 2 2 2 LEU HD23 H 1 0.787 0.001 . 2 . . . B 454 LEU HD23 . 19791 2
20 . 2 2 2 2 LEU C C 13 176.422 0.000 . 1 . . . B 454 LEU C . 19791 2
21 . 2 2 2 2 LEU CA C 13 55.300 0.000 . 1 . . . B 454 LEU CA . 19791 2
22 . 2 2 2 2 LEU CB C 13 41.950 0.000 . 1 . . . B 454 LEU CB . 19791 2
23 . 2 2 2 2 LEU CG C 13 27.017 0.000 . 1 . . . B 454 LEU CG . 19791 2
24 . 2 2 2 2 LEU CD1 C 13 25.376 0.020 . 2 . . . B 454 LEU CD1 . 19791 2
25 . 2 2 2 2 LEU CD2 C 13 23.636 0.000 . 2 . . . B 454 LEU CD2 . 19791 2
26 . 2 2 2 2 LEU N N 15 121.684 0.047 . 1 . . . B 454 LEU N . 19791 2
27 . 2 2 3 3 ASP H H 1 8.210 0.003 . 1 . . . B 455 ASP H . 19791 2
28 . 2 2 3 3 ASP HA H 1 4.518 0.004 . 1 . . . B 455 ASP HA . 19791 2
29 . 2 2 3 3 ASP HB2 H 1 2.640 0.004 . 1 . . . B 455 ASP HB2 . 19791 2
30 . 2 2 3 3 ASP HB3 H 1 2.640 0.004 . 1 . . . B 455 ASP HB3 . 19791 2
31 . 2 2 3 3 ASP C C 13 177.329 0.000 . 1 . . . B 455 ASP C . 19791 2
32 . 2 2 3 3 ASP CA C 13 55.217 0.000 . 1 . . . B 455 ASP CA . 19791 2
33 . 2 2 3 3 ASP CB C 13 41.183 0.000 . 1 . . . B 455 ASP CB . 19791 2
34 . 2 2 3 3 ASP N N 15 121.129 0.045 . 1 . . . B 455 ASP N . 19791 2
35 . 2 2 4 4 GLU H H 1 8.410 0.006 . 1 . . . B 456 GLU H . 19791 2
36 . 2 2 4 4 GLU HA H 1 4.196 0.002 . 1 . . . B 456 GLU HA . 19791 2
37 . 2 2 4 4 GLU HB2 H 1 1.884 0.006 . 2 . . . B 456 GLU HB2 . 19791 2
38 . 2 2 4 4 GLU HB3 H 1 1.995 0.006 . 2 . . . B 456 GLU HB3 . 19791 2
39 . 2 2 4 4 GLU HG2 H 1 2.180 0.003 . 1 . . . B 456 GLU HG2 . 19791 2
40 . 2 2 4 4 GLU HG3 H 1 2.180 0.003 . 1 . . . B 456 GLU HG3 . 19791 2
41 . 2 2 4 4 GLU C C 13 176.880 0.000 . 1 . . . B 456 GLU C . 19791 2
42 . 2 2 4 4 GLU CA C 13 57.200 0.000 . 1 . . . B 456 GLU CA . 19791 2
43 . 2 2 4 4 GLU CB C 13 30.106 0.000 . 1 . . . B 456 GLU CB . 19791 2
44 . 2 2 4 4 GLU CG C 13 36.167 0.000 . 1 . . . B 456 GLU CG . 19791 2
45 . 2 2 4 4 GLU N N 15 121.013 0.046 . 1 . . . B 456 GLU N . 19791 2
46 . 2 2 5 5 SER H H 1 8.176 0.007 . 1 . . . B 457 SER H . 19791 2
47 . 2 2 5 5 SER HA H 1 4.252 0.004 . 1 . . . B 457 SER HA . 19791 2
48 . 2 2 5 5 SER HB2 H 1 3.749 0.002 . 1 . . . B 457 SER HB2 . 19791 2
49 . 2 2 5 5 SER HB3 H 1 3.749 0.002 . 1 . . . B 457 SER HB3 . 19791 2
50 . 2 2 5 5 SER C C 13 177.046 0.000 . 1 . . . B 457 SER C . 19791 2
51 . 2 2 5 5 SER CA C 13 59.437 0.000 . 1 . . . B 457 SER CA . 19791 2
52 . 2 2 5 5 SER CB C 13 63.400 0.000 . 1 . . . B 457 SER CB . 19791 2
53 . 2 2 5 5 SER N N 15 116.183 0.058 . 1 . . . B 457 SER N . 19791 2
54 . 2 2 6 6 TRP H H 1 7.969 0.012 . 1 . . . B 458 TRP H . 19791 2
55 . 2 2 6 6 TRP HA H 1 4.593 0.009 . 1 . . . B 458 TRP HA . 19791 2
56 . 2 2 6 6 TRP HB2 H 1 3.371 0.005 . 2 . . . B 458 TRP HB2 . 19791 2
57 . 2 2 6 6 TRP HB3 H 1 3.105 0.006 . 2 . . . B 458 TRP HB3 . 19791 2
58 . 2 2 6 6 TRP HD1 H 1 7.186 0.003 . 1 . . . B 458 TRP HD1 . 19791 2
59 . 2 2 6 6 TRP HE3 H 1 7.394 0.004 . 1 . . . B 458 TRP HE3 . 19791 2
60 . 2 2 6 6 TRP HZ2 H 1 7.370 0.002 . 1 . . . B 458 TRP HZ2 . 19791 2
61 . 2 2 6 6 TRP HZ3 H 1 6.947 0.010 . 1 . . . B 458 TRP HZ3 . 19791 2
62 . 2 2 6 6 TRP HH2 H 1 7.074 0.004 . 1 . . . B 458 TRP HH2 . 19791 2
63 . 2 2 6 6 TRP C C 13 174.996 0.000 . 1 . . . B 458 TRP C . 19791 2
64 . 2 2 6 6 TRP CA C 13 57.362 0.000 . 1 . . . B 458 TRP CA . 19791 2
65 . 2 2 6 6 TRP CB C 13 30.117 0.000 . 1 . . . B 458 TRP CB . 19791 2
66 . 2 2 6 6 TRP CD1 C 13 127.437 0.000 . 1 . . . B 458 TRP CD1 . 19791 2
67 . 2 2 6 6 TRP CE3 C 13 120.617 0.000 . 1 . . . B 458 TRP CE3 . 19791 2
68 . 2 2 6 6 TRP CZ2 C 13 114.512 0.000 . 1 . . . B 458 TRP CZ2 . 19791 2
69 . 2 2 6 6 TRP CZ3 C 13 121.569 0.000 . 1 . . . B 458 TRP CZ3 . 19791 2
70 . 2 2 6 6 TRP CH2 C 13 124.227 0.000 . 1 . . . B 458 TRP CH2 . 19791 2
71 . 2 2 6 6 TRP N N 15 121.163 0.093 . 1 . . . B 458 TRP N . 19791 2
72 . 2 2 7 7 ASP H H 1 8.031 0.005 . 1 . . . B 459 ASP H . 19791 2
73 . 2 2 7 7 ASP HA H 1 4.441 0.006 . 1 . . . B 459 ASP HA . 19791 2
74 . 2 2 7 7 ASP HB2 H 1 2.591 0.008 . 2 . . . B 459 ASP HB2 . 19791 2
75 . 2 2 7 7 ASP HB3 H 1 2.590 0.007 . 2 . . . B 459 ASP HB3 . 19791 2
76 . 2 2 7 7 ASP C C 13 176.140 0.000 . 1 . . . B 459 ASP C . 19791 2
77 . 2 2 7 7 ASP CA C 13 56.667 0.000 . 1 . . . B 459 ASP CA . 19791 2
78 . 2 2 7 7 ASP CB C 13 40.167 0.000 . 1 . . . B 459 ASP CB . 19791 2
79 . 2 2 7 7 ASP N N 15 120.311 0.061 . 1 . . . B 459 ASP N . 19791 2
80 . 2 2 8 8 TYR H H 1 7.918 0.003 . 1 . . . B 460 TYR H . 19791 2
81 . 2 2 8 8 TYR HA H 1 4.425 0.003 . 1 . . . B 460 TYR HA . 19791 2
82 . 2 2 8 8 TYR HB2 H 1 2.951 0.003 . 1 . . . B 460 TYR HB2 . 19791 2
83 . 2 2 8 8 TYR HB3 H 1 2.951 0.003 . 1 . . . B 460 TYR HB3 . 19791 2
84 . 2 2 8 8 TYR HD1 H 1 7.049 0.005 . 3 . . . B 460 TYR HD1 . 19791 2
85 . 2 2 8 8 TYR HD2 H 1 7.049 0.005 . 3 . . . B 460 TYR HD2 . 19791 2
86 . 2 2 8 8 TYR HE1 H 1 6.769 0.004 . 3 . . . B 460 TYR HE1 . 19791 2
87 . 2 2 8 8 TYR HE2 H 1 6.769 0.004 . 3 . . . B 460 TYR HE2 . 19791 2
88 . 2 2 8 8 TYR C C 13 177.411 0.000 . 1 . . . B 460 TYR C . 19791 2
89 . 2 2 8 8 TYR CA C 13 58.816 0.001 . 1 . . . B 460 TYR CA . 19791 2
90 . 2 2 8 8 TYR CB C 13 37.450 0.000 . 1 . . . B 460 TYR CB . 19791 2
91 . 2 2 8 8 TYR CD1 C 13 133.283 0.000 . 3 . . . B 460 TYR CD1 . 19791 2
92 . 2 2 8 8 TYR CD2 C 13 133.283 0.000 . 3 . . . B 460 TYR CD2 . 19791 2
93 . 2 2 8 8 TYR CE1 C 13 118.248 0.000 . 3 . . . B 460 TYR CE1 . 19791 2
94 . 2 2 8 8 TYR CE2 C 13 118.248 0.000 . 3 . . . B 460 TYR CE2 . 19791 2
95 . 2 2 8 8 TYR N N 15 117.085 0.032 . 1 . . . B 460 TYR N . 19791 2
96 . 2 2 9 9 ILE H H 1 7.252 0.007 . 1 . . . B 461 ILE H . 19791 2
97 . 2 2 9 9 ILE HA H 1 3.900 0.005 . 1 . . . B 461 ILE HA . 19791 2
98 . 2 2 9 9 ILE HB H 1 1.408 0.003 . 1 . . . B 461 ILE HB . 19791 2
99 . 2 2 9 9 ILE HG12 H 1 1.036 0.003 . 2 . . . B 461 ILE HG12 . 19791 2
100 . 2 2 9 9 ILE HG13 H 1 1.090 0.001 . 2 . . . B 461 ILE HG13 . 19791 2
101 . 2 2 9 9 ILE HG21 H 1 0.465 0.001 . 1 . . . B 461 ILE HG21 . 19791 2
102 . 2 2 9 9 ILE HG22 H 1 0.465 0.001 . 1 . . . B 461 ILE HG22 . 19791 2
103 . 2 2 9 9 ILE HG23 H 1 0.465 0.001 . 1 . . . B 461 ILE HG23 . 19791 2
104 . 2 2 9 9 ILE HD11 H 1 0.690 0.005 . 1 . . . B 461 ILE HD11 . 19791 2
105 . 2 2 9 9 ILE HD12 H 1 0.690 0.005 . 1 . . . B 461 ILE HD12 . 19791 2
106 . 2 2 9 9 ILE HD13 H 1 0.690 0.005 . 1 . . . B 461 ILE HD13 . 19791 2
107 . 2 2 9 9 ILE C C 13 176.122 0.000 . 1 . . . B 461 ILE C . 19791 2
108 . 2 2 9 9 ILE CA C 13 61.500 0.000 . 1 . . . B 461 ILE CA . 19791 2
109 . 2 2 9 9 ILE CB C 13 38.567 0.000 . 1 . . . B 461 ILE CB . 19791 2
110 . 2 2 9 9 ILE CG1 C 13 28.252 0.000 . 1 . . . B 461 ILE CG1 . 19791 2
111 . 2 2 9 9 ILE CG2 C 13 16.969 0.000 . 1 . . . B 461 ILE CG2 . 19791 2
112 . 2 2 9 9 ILE CD1 C 13 13.473 0.000 . 1 . . . B 461 ILE CD1 . 19791 2
113 . 2 2 9 9 ILE N N 15 120.334 0.097 . 1 . . . B 461 ILE N . 19791 2
114 . 2 2 10 10 PHE H H 1 7.536 0.002 . 1 . . . B 462 PHE H . 19791 2
115 . 2 2 10 10 PHE HA H 1 4.387 0.001 . 1 . . . B 462 PHE HA . 19791 2
116 . 2 2 10 10 PHE HB2 H 1 3.037 0.006 . 2 . . . B 462 PHE HB2 . 19791 2
117 . 2 2 10 10 PHE HB3 H 1 2.777 0.003 . 2 . . . B 462 PHE HB3 . 19791 2
118 . 2 2 10 10 PHE HD1 H 1 7.107 0.004 . 3 . . . B 462 PHE HD1 . 19791 2
119 . 2 2 10 10 PHE HD2 H 1 7.107 0.004 . 3 . . . B 462 PHE HD2 . 19791 2
120 . 2 2 10 10 PHE HE1 H 1 7.097 0.003 . 3 . . . B 462 PHE HE1 . 19791 2
121 . 2 2 10 10 PHE HE2 H 1 7.097 0.003 . 3 . . . B 462 PHE HE2 . 19791 2
122 . 2 2 10 10 PHE HZ H 1 6.996 0.004 . 1 . . . B 462 PHE HZ . 19791 2
123 . 2 2 10 10 PHE C C 13 175.637 0.000 . 1 . . . B 462 PHE C . 19791 2
124 . 2 2 10 10 PHE CA C 13 58.859 0.000 . 1 . . . B 462 PHE CA . 19791 2
125 . 2 2 10 10 PHE CB C 13 40.233 0.000 . 1 . . . B 462 PHE CB . 19791 2
126 . 2 2 10 10 PHE CD1 C 13 132.109 0.000 . 3 . . . B 462 PHE CD1 . 19791 2
127 . 2 2 10 10 PHE CD2 C 13 132.109 0.000 . 3 . . . B 462 PHE CD2 . 19791 2
128 . 2 2 10 10 PHE CE1 C 13 131.418 0.000 . 3 . . . B 462 PHE CE1 . 19791 2
129 . 2 2 10 10 PHE CE2 C 13 131.418 0.000 . 3 . . . B 462 PHE CE2 . 19791 2
130 . 2 2 10 10 PHE CZ C 13 129.186 0.000 . 1 . . . B 462 PHE CZ . 19791 2
131 . 2 2 10 10 PHE N N 15 119.202 0.002 . 1 . . . B 462 PHE N . 19791 2
132 . 2 2 11 11 GLU H H 1 8.163 0.003 . 1 . . . B 463 GLU H . 19791 2
133 . 2 2 11 11 GLU HA H 1 4.486 0.003 . 1 . . . B 463 GLU HA . 19791 2
134 . 2 2 11 11 GLU HB2 H 1 2.005 0.003 . 2 . . . B 463 GLU HB2 . 19791 2
135 . 2 2 11 11 GLU HB3 H 1 2.104 0.001 . 2 . . . B 463 GLU HB3 . 19791 2
136 . 2 2 11 11 GLU HG2 H 1 2.281 0.002 . 1 . . . B 463 GLU HG2 . 19791 2
137 . 2 2 11 11 GLU HG3 H 1 2.282 0.002 . 1 . . . B 463 GLU HG3 . 19791 2
138 . 2 2 11 11 GLU C C 13 175.719 0.000 . 1 . . . B 463 GLU C . 19791 2
139 . 2 2 11 11 GLU CA C 13 56.117 0.000 . 1 . . . B 463 GLU CA . 19791 2
140 . 2 2 11 11 GLU CB C 13 30.583 0.000 . 1 . . . B 463 GLU CB . 19791 2
141 . 2 2 11 11 GLU CG C 13 36.000 0.000 . 1 . . . B 463 GLU CG . 19791 2
142 . 2 2 11 11 GLU N N 15 120.288 0.095 . 1 . . . B 463 GLU N . 19791 2
143 . 2 2 12 12 THR H H 1 8.365 0.005 . 1 . . . B 464 THR H . 19791 2
144 . 2 2 12 12 THR HA H 1 4.485 0.003 . 1 . . . B 464 THR HA . 19791 2
145 . 2 2 12 12 THR HB H 1 4.249 0.004 . 1 . . . B 464 THR HB . 19791 2
146 . 2 2 12 12 THR HG21 H 1 1.249 0.009 . 1 . . . B 464 THR HG21 . 19791 2
147 . 2 2 12 12 THR HG22 H 1 1.249 0.009 . 1 . . . B 464 THR HG22 . 19791 2
148 . 2 2 12 12 THR HG23 H 1 1.249 0.009 . 1 . . . B 464 THR HG23 . 19791 2
149 . 2 2 12 12 THR C C 13 176.499 0.000 . 1 . . . B 464 THR C . 19791 2
150 . 2 2 12 12 THR CA C 13 62.228 0.011 . 1 . . . B 464 THR CA . 19791 2
151 . 2 2 12 12 THR CB C 13 69.850 0.000 . 1 . . . B 464 THR CB . 19791 2
152 . 2 2 12 12 THR CG2 C 13 21.733 0.000 . 1 . . . B 464 THR CG2 . 19791 2
153 . 2 2 12 12 THR N N 15 116.476 0.045 . 1 . . . B 464 THR N . 19791 2
154 . 2 2 13 13 THR H H 1 8.283 0.002 . 1 . . . B 465 THR H . 19791 2
155 . 2 2 13 13 THR HA H 1 4.390 0.001 . 1 . . . B 465 THR HA . 19791 2
156 . 2 2 13 13 THR HB H 1 4.219 0.001 . 1 . . . B 465 THR HB . 19791 2
157 . 2 2 13 13 THR HG21 H 1 1.208 0.004 . 1 . . . B 465 THR HG21 . 19791 2
158 . 2 2 13 13 THR HG22 H 1 1.208 0.004 . 1 . . . B 465 THR HG22 . 19791 2
159 . 2 2 13 13 THR HG23 H 1 1.208 0.004 . 1 . . . B 465 THR HG23 . 19791 2
160 . 2 2 13 13 THR C C 13 174.647 0.000 . 1 . . . B 465 THR C . 19791 2
161 . 2 2 13 13 THR CA C 13 61.991 0.000 . 1 . . . B 465 THR CA . 19791 2
162 . 2 2 13 13 THR CB C 13 69.917 0.000 . 1 . . . B 465 THR CB . 19791 2
163 . 2 2 13 13 THR CG2 C 13 21.800 0.000 . 1 . . . B 465 THR CG2 . 19791 2
164 . 2 2 13 13 THR N N 15 117.496 0.099 . 1 . . . B 465 THR N . 19791 2
stop_
save_