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 18971
_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
12 '2D CBCA(CO)NH' . . . 18971 2
13 '2D C(CO)NH' . . . 18971 2
14 '2D HNCO' . . . 18971 2
15 '2D HNCACB' . . . 18971 2
16 '3D HCCH-TOCSY' . . . 18971 2
18 '3D 1H-15N TOCSY' . . . 18971 2
35 '2D HCAN' . . . 18971 2
38 '2D HBCBCACONHAN' . . . 18971 2
39 '2D HBCBCACONHACA' . . . 18971 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 THR HA H 1 3.766 0.006 . 1 . . . . 638 THR HA . 18971 2
2 . 2 2 1 1 THR HB H 1 4.126 0.000 . 1 . . . . 638 THR HB . 18971 2
3 . 2 2 1 1 THR HG21 H 1 1.275 0.000 . 0 . . . . 638 THR QG2 . 18971 2
4 . 2 2 1 1 THR HG22 H 1 1.275 0.000 . 0 . . . . 638 THR QG2 . 18971 2
5 . 2 2 1 1 THR HG23 H 1 1.275 0.000 . 0 . . . . 638 THR QG2 . 18971 2
6 . 2 2 1 1 THR CA C 13 61.804 0.002 . 1 . . . . 638 THR CA . 18971 2
7 . 2 2 1 1 THR CB C 13 69.843 0.053 . 1 . . . . 638 THR CB . 18971 2
8 . 2 2 1 1 THR CG2 C 13 21.325 0.000 . 1 . . . . 638 THR CG2 . 18971 2
9 . 2 2 2 2 ALA HA H 1 4.762 0.000 . 1 . . . . 639 ALA HA . 18971 2
10 . 2 2 2 2 ALA HB1 H 1 1.536 0.002 . 0 . . . . 639 ALA HB . 18971 2
11 . 2 2 2 2 ALA HB2 H 1 1.536 0.002 . 0 . . . . 639 ALA HB . 18971 2
12 . 2 2 2 2 ALA HB3 H 1 1.536 0.002 . 0 . . . . 639 ALA HB . 18971 2
13 . 2 2 2 2 ALA CA C 13 51.289 0.000 . 1 . . . . 639 ALA CA . 18971 2
14 . 2 2 2 2 ALA CB C 13 18.001 0.000 . 1 . . . . 639 ALA CB . 18971 2
15 . 2 2 2 2 ALA N N 15 130.507 0.011 . 1 . . . . 639 ALA N . 18971 2
16 . 2 2 3 3 PRO HA H 1 4.973 0.005 . 1 . . . . 640 PRO HA . 18971 2
17 . 2 2 3 3 PRO HB2 H 1 2.013 0.000 . 2 . . . . 640 PRO HB2 . 18971 2
18 . 2 2 3 3 PRO HB3 H 1 2.385 0.000 . 2 . . . . 640 PRO HB3 . 18971 2
19 . 2 2 3 3 PRO HG2 H 1 2.104 0.000 . 2 . . . . 640 PRO HG2 . 18971 2
20 . 2 2 3 3 PRO HG3 H 1 2.005 0.000 . 2 . . . . 640 PRO HG3 . 18971 2
21 . 2 2 3 3 PRO HD2 H 1 3.917 0.000 . 2 . . . . 640 PRO HD2 . 18971 2
22 . 2 2 3 3 PRO HD3 H 1 3.755 0.000 . 2 . . . . 640 PRO HD3 . 18971 2
23 . 2 2 3 3 PRO CA C 13 61.976 0.002 . 1 . . . . 640 PRO CA . 18971 2
24 . 2 2 3 3 PRO CB C 13 30.768 0.047 . 1 . . . . 640 PRO CB . 18971 2
25 . 2 2 3 3 PRO CG C 13 26.803 0.000 . 1 . . . . 640 PRO CG . 18971 2
26 . 2 2 3 3 PRO CD C 13 50.761 0.002 . 1 . . . . 640 PRO CD . 18971 2
27 . 2 2 3 3 PRO N N 15 135.815 0.000 . 1 . . . . 640 PRO N . 18971 2
28 . 2 2 4 4 PRO HA H 1 3.807 0.004 . 1 . . . . 641 PRO HA . 18971 2
29 . 2 2 4 4 PRO HB2 H 1 -0.175 0.000 . 2 . . . . 641 PRO HB2 . 18971 2
30 . 2 2 4 4 PRO HB3 H 1 0.675 0.000 . 2 . . . . 641 PRO HB3 . 18971 2
31 . 2 2 4 4 PRO HG2 H 1 0.510 0.000 . 2 . . . . 641 PRO HG2 . 18971 2
32 . 2 2 4 4 PRO HG3 H 1 1.237 0.000 . 2 . . . . 641 PRO HG3 . 18971 2
33 . 2 2 4 4 PRO HD2 H 1 2.795 0.000 . 2 . . . . 641 PRO HD2 . 18971 2
34 . 2 2 4 4 PRO HD3 H 1 3.203 0.000 . 2 . . . . 641 PRO HD3 . 18971 2
35 . 2 2 4 4 PRO CA C 13 61.324 0.019 . 1 . . . . 641 PRO CA . 18971 2
36 . 2 2 4 4 PRO CB C 13 27.758 0.016 . 1 . . . . 641 PRO CB . 18971 2
37 . 2 2 4 4 PRO CG C 13 25.301 0.004 . 1 . . . . 641 PRO CG . 18971 2
38 . 2 2 4 4 PRO CD C 13 48.833 0.002 . 1 . . . . 641 PRO CD . 18971 2
39 . 2 2 4 4 PRO N N 15 134.373 0.000 . 1 . . . . 641 PRO N . 18971 2
40 . 2 2 5 5 PRO HA H 1 3.869 0.000 . 1 . . . . 642 PRO HA . 18971 2
41 . 2 2 5 5 PRO HB2 H 1 1.108 0.000 . 2 . . . . 642 PRO HB2 . 18971 2
42 . 2 2 5 5 PRO HB3 H 1 1.983 0.000 . 2 . . . . 642 PRO HB3 . 18971 2
43 . 2 2 5 5 PRO HG2 H 1 1.586 0.000 . 2 . . . . 642 PRO HG2 . 18971 2
44 . 2 2 5 5 PRO HG3 H 1 1.346 0.000 . 2 . . . . 642 PRO HG3 . 18971 2
45 . 2 2 5 5 PRO HD2 H 1 2.872 0.000 . 2 . . . . 642 PRO HD2 . 18971 2
46 . 2 2 5 5 PRO HD3 H 1 1.110 0.000 . 2 . . . . 642 PRO HD3 . 18971 2
47 . 2 2 5 5 PRO C C 13 175.181 0.000 . 1 . . . . 642 PRO C . 18971 2
48 . 2 2 5 5 PRO CA C 13 62.946 0.044 . 1 . . . . 642 PRO CA . 18971 2
49 . 2 2 5 5 PRO CB C 13 31.617 0.016 . 1 . . . . 642 PRO CB . 18971 2
50 . 2 2 5 5 PRO CG C 13 27.737 0.005 . 1 . . . . 642 PRO CG . 18971 2
51 . 2 2 5 5 PRO CD C 13 48.721 0.009 . 1 . . . . 642 PRO CD . 18971 2
52 . 2 2 5 5 PRO N N 15 133.903 0.000 . 1 . . . . 642 PRO N . 18971 2
53 . 2 2 6 6 ALA H H 1 8.233 0.001 . 1 . . . . 643 ALA H . 18971 2
54 . 2 2 6 6 ALA HA H 1 4.202 0.016 . 1 . . . . 643 ALA HA . 18971 2
55 . 2 2 6 6 ALA HB1 H 1 1.471 0.020 . 0 . . . . 643 ALA HB . 18971 2
56 . 2 2 6 6 ALA HB2 H 1 1.471 0.020 . 0 . . . . 643 ALA HB . 18971 2
57 . 2 2 6 6 ALA HB3 H 1 1.471 0.020 . 0 . . . . 643 ALA HB . 18971 2
58 . 2 2 6 6 ALA C C 13 179.290 0.000 . 1 . . . . 643 ALA C . 18971 2
59 . 2 2 6 6 ALA CA C 13 51.988 0.008 . 1 . . . . 643 ALA CA . 18971 2
60 . 2 2 6 6 ALA CB C 13 18.829 0.052 . 1 . . . . 643 ALA CB . 18971 2
61 . 2 2 6 6 ALA N N 15 125.535 0.000 . 1 . . . . 643 ALA N . 18971 2
62 . 2 2 7 7 TYR H H 1 9.342 0.010 . 1 . . . . 644 TYR H . 18971 2
63 . 2 2 7 7 TYR HA H 1 3.528 0.009 . 1 . . . . 644 TYR HA . 18971 2
64 . 2 2 7 7 TYR HB2 H 1 2.852 0.005 . 2 . . . . 644 TYR HB2 . 18971 2
65 . 2 2 7 7 TYR HB3 H 1 2.649 0.011 . 2 . . . . 644 TYR HB3 . 18971 2
66 . 2 2 7 7 TYR HD1 H 1 6.656 0.000 . 3 . . . . 644 TYR QD . 18971 2
67 . 2 2 7 7 TYR HD2 H 1 6.656 0.000 . 3 . . . . 644 TYR QD . 18971 2
68 . 2 2 7 7 TYR HE1 H 1 6.479 0.000 . 3 . . . . 644 TYR QE . 18971 2
69 . 2 2 7 7 TYR HE2 H 1 6.479 0.000 . 3 . . . . 644 TYR QE . 18971 2
70 . 2 2 7 7 TYR C C 13 177.550 0.000 . 1 . . . . 644 TYR C . 18971 2
71 . 2 2 7 7 TYR CA C 13 62.376 0.046 . 1 . . . . 644 TYR CA . 18971 2
72 . 2 2 7 7 TYR CB C 13 39.541 0.031 . 1 . . . . 644 TYR CB . 18971 2
73 . 2 2 7 7 TYR CD1 C 13 133.176 0.000 . 3 . . . . 644 TYR CD1 . 18971 2
74 . 2 2 7 7 TYR CD2 C 13 133.176 0.000 . 3 . . . . 644 TYR CD2 . 18971 2
75 . 2 2 7 7 TYR CE1 C 13 118.154 0.000 . 3 . . . . 644 TYR CE1 . 18971 2
76 . 2 2 7 7 TYR CE2 C 13 118.154 0.000 . 3 . . . . 644 TYR CE2 . 18971 2
77 . 2 2 7 7 TYR N N 15 125.349 0.000 . 1 . . . . 644 TYR N . 18971 2
78 . 2 2 8 8 ALA H H 1 8.687 0.011 . 1 . . . . 645 ALA H . 18971 2
79 . 2 2 8 8 ALA HA H 1 4.206 0.013 . 1 . . . . 645 ALA HA . 18971 2
80 . 2 2 8 8 ALA HB1 H 1 1.492 0.009 . 0 . . . . 645 ALA HB . 18971 2
81 . 2 2 8 8 ALA HB2 H 1 1.492 0.009 . 0 . . . . 645 ALA HB . 18971 2
82 . 2 2 8 8 ALA HB3 H 1 1.492 0.009 . 0 . . . . 645 ALA HB . 18971 2
83 . 2 2 8 8 ALA C C 13 178.560 0.000 . 1 . . . . 645 ALA C . 18971 2
84 . 2 2 8 8 ALA CA C 13 54.181 0.026 . 1 . . . . 645 ALA CA . 18971 2
85 . 2 2 8 8 ALA CB C 13 18.961 0.058 . 1 . . . . 645 ALA CB . 18971 2
86 . 2 2 8 8 ALA N N 15 117.672 0.000 . 1 . . . . 645 ALA N . 18971 2
87 . 2 2 9 9 THR H H 1 7.693 0.005 . 1 . . . . 646 THR H . 18971 2
88 . 2 2 9 9 THR HA H 1 4.352 0.012 . 1 . . . . 646 THR HA . 18971 2
89 . 2 2 9 9 THR HB H 1 4.407 0.010 . 1 . . . . 646 THR HB . 18971 2
90 . 2 2 9 9 THR HG21 H 1 1.197 0.008 . 0 . . . . 646 THR QG2 . 18971 2
91 . 2 2 9 9 THR HG22 H 1 1.197 0.008 . 0 . . . . 646 THR QG2 . 18971 2
92 . 2 2 9 9 THR HG23 H 1 1.197 0.008 . 0 . . . . 646 THR QG2 . 18971 2
93 . 2 2 9 9 THR C C 13 175.262 0.000 . 1 . . . . 646 THR C . 18971 2
94 . 2 2 9 9 THR CA C 13 61.898 0.036 . 1 . . . . 646 THR CA . 18971 2
95 . 2 2 9 9 THR CB C 13 69.834 0.059 . 1 . . . . 646 THR CB . 18971 2
96 . 2 2 9 9 THR CG2 C 13 21.815 0.000 . 1 . . . . 646 THR CG2 . 18971 2
97 . 2 2 9 9 THR N N 15 106.520 0.000 . 1 . . . . 646 THR N . 18971 2
98 . 2 2 10 10 LEU H H 1 7.258 0.003 . 1 . . . . 647 LEU H . 18971 2
99 . 2 2 10 10 LEU HA H 1 4.121 0.006 . 1 . . . . 647 LEU HA . 18971 2
100 . 2 2 10 10 LEU HB2 H 1 1.507 0.011 . 2 . . . . 647 LEU HB2 . 18971 2
101 . 2 2 10 10 LEU HB3 H 1 1.301 0.010 . 2 . . . . 647 LEU HB3 . 18971 2
102 . 2 2 10 10 LEU HG H 1 1.705 0.000 . 1 . . . . 647 LEU HG . 18971 2
103 . 2 2 10 10 LEU HD11 H 1 0.532 0.000 . 0 . . . . 647 LEU QD1 . 18971 2
104 . 2 2 10 10 LEU HD12 H 1 0.532 0.000 . 0 . . . . 647 LEU QD1 . 18971 2
105 . 2 2 10 10 LEU HD13 H 1 0.532 0.000 . 0 . . . . 647 LEU QD1 . 18971 2
106 . 2 2 10 10 LEU HD21 H 1 0.738 0.000 . 0 . . . . 647 LEU QD2 . 18971 2
107 . 2 2 10 10 LEU HD22 H 1 0.738 0.000 . 0 . . . . 647 LEU QD2 . 18971 2
108 . 2 2 10 10 LEU HD23 H 1 0.738 0.000 . 0 . . . . 647 LEU QD2 . 18971 2
109 . 2 2 10 10 LEU C C 13 178.035 0.000 . 1 . . . . 647 LEU C . 18971 2
110 . 2 2 10 10 LEU CA C 13 55.833 0.016 . 1 . . . . 647 LEU CA . 18971 2
111 . 2 2 10 10 LEU CB C 13 41.550 0.015 . 1 . . . . 647 LEU CB . 18971 2
112 . 2 2 10 10 LEU CG C 13 25.891 0.000 . 1 . . . . 647 LEU CG . 18971 2
113 . 2 2 10 10 LEU CD1 C 13 26.589 0.000 . 2 . . . . 647 LEU CD1 . 18971 2
114 . 2 2 10 10 LEU CD2 C 13 22.589 0.000 . 2 . . . . 647 LEU CD2 . 18971 2
115 . 2 2 10 10 LEU N N 15 121.221 0.000 . 1 . . . . 647 LEU N . 18971 2
116 . 2 2 11 11 GLY H H 1 8.300 0.011 . 1 . . . . 648 GLY H . 18971 2
117 . 2 2 11 11 GLY HA2 H 1 4.005 0.015 . 2 . . . . 648 GLY HA2 . 18971 2
118 . 2 2 11 11 GLY HA3 H 1 3.849 0.012 . 2 . . . . 648 GLY HA3 . 18971 2
119 . 2 2 11 11 GLY CA C 13 45.252 0.005 . 1 . . . . 648 GLY CA . 18971 2
120 . 2 2 11 11 GLY N N 15 109.251 0.002 . 1 . . . . 648 GLY N . 18971 2
stop_
save_