Content for NMR-STAR saveframe, "assigned_chem_shift_list"
save_assigned_chem_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 18972
_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 .
_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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/3zkt/ebi/TCnVA_3.csdep.csh'
_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 NOESY 1 $sample_1 solution 18972 1
2 DQF-COSY 1 $sample_1 solution 18972 1
3 e-COSY 1 $sample_1 solution 18972 1
4 TOCSY 1 $sample_1 solution 18972 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 1 1 GLU HA H 1 4.049 0.019 . 1 . 4 . . 1 GLU HA . 18972 1
2 . 1 1 1 1 GLU HB2 H 1 2.114 0.017 . 1 . 5 . . 1 GLU HB2 . 18972 1
3 . 1 1 1 1 GLU HB3 H 1 2.114 0.017 . 1 . 6 . . 1 GLU HB3 . 18972 1
4 . 1 1 1 1 GLU HG2 H 1 2.430 0.023 . 1 . 7 . . 1 GLU HG2 . 18972 1
5 . 1 1 1 1 GLU HG3 H 1 2.430 0.023 . 1 . 8 . . 1 GLU HG3 . 18972 1
6 . 1 1 1 1 GLU CA C 13 55.181 . . 1 . 1 . . 1 GLU CA . 18972 1
7 . 1 1 1 1 GLU CB C 13 29.254 . . 1 . 2 . . 1 GLU CB . 18972 1
8 . 1 1 1 1 GLU CG C 13 33.523 . . 1 . 3 . . 1 GLU CG . 18972 1
9 . 1 1 2 2 CYS H H 1 8.992 0.002 . 1 . 11 . . 2 CYS H . 18972 1
10 . 1 1 2 2 CYS HA H 1 4.715 0.015 . 1 . 12 . . 2 CYS HA . 18972 1
11 . 1 1 2 2 CYS HB2 H 1 3.230 0.022 . 2 . 13 . . 2 CYS HB2 . 18972 1
12 . 1 1 2 2 CYS HB3 H 1 3.160 0.015 . 2 . 14 . . 2 CYS HB3 . 18972 1
13 . 1 1 2 2 CYS CA C 13 56.411 . . 1 . 9 . . 2 CYS CA . 18972 1
14 . 1 1 2 2 CYS CB C 13 43.419 . . 1 . 10 . . 2 CYS CB . 18972 1
15 . 1 1 3 3 CYS H H 1 8.290 0.001 . 1 . 17 . . 3 CYS H . 18972 1
16 . 1 1 3 3 CYS HA H 1 4.461 0.017 . 1 . 18 . . 3 CYS HA . 18972 1
17 . 1 1 3 3 CYS HB2 H 1 3.345 0.017 . 2 . 19 . . 3 CYS HB2 . 18972 1
18 . 1 1 3 3 CYS HB3 H 1 3.182 0.018 . 2 . 20 . . 3 CYS HB3 . 18972 1
19 . 1 1 3 3 CYS CA C 13 57.496 . . 1 . 15 . . 3 CYS CA . 18972 1
20 . 1 1 3 3 CYS CB C 13 40.523 0.014 . 1 . 16 . . 3 CYS CB . 18972 1
21 . 1 1 4 4 HIS H H 1 8.641 0.003 . 1 . 25 . . 4 HIS H . 18972 1
22 . 1 1 4 4 HIS HA H 1 4.517 0.022 . 1 . 26 . . 4 HIS HA . 18972 1
23 . 1 1 4 4 HIS HB2 H 1 3.340 0.02 . 2 . 27 . . 4 HIS HB2 . 18972 1
24 . 1 1 4 4 HIS HB3 H 1 3.282 0.018 . 2 . 28 . . 4 HIS HB3 . 18972 1
25 . 1 1 4 4 HIS HD2 H 1 7.275 0.019 . 1 . 29 . . 4 HIS HD2 . 18972 1
26 . 1 1 4 4 HIS HE1 H 1 8.620 0.023 . 1 . 30 . . 4 HIS HE1 . 18972 1
27 . 1 1 4 4 HIS CA C 13 56.367 . . 1 . 21 . . 4 HIS CA . 18972 1
28 . 1 1 4 4 HIS CB C 13 27.853 0.007 . 1 . 22 . . 4 HIS CB . 18972 1
29 . 1 1 4 4 HIS CD2 C 13 120.092 . . 1 . 23 . . 4 HIS CD2 . 18972 1
30 . 1 1 4 4 HIS CE1 C 13 136.214 . . 1 . 24 . . 4 HIS CE1 . 18972 1
31 . 1 1 5 5 ARG H H 1 8.159 0.003 . 1 . 35 . . 5 ARG H . 18972 1
32 . 1 1 5 5 ARG HA H 1 4.231 0.013 . 1 . 36 . . 5 ARG HA . 18972 1
33 . 1 1 5 5 ARG HB2 H 1 1.900 0.019 . 2 . 37 . . 5 ARG HB2 . 18972 1
34 . 1 1 5 5 ARG HB3 H 1 1.801 0.022 . 2 . 38 . . 5 ARG HB3 . 18972 1
35 . 1 1 5 5 ARG HG2 H 1 1.542 0.017 . 1 . 42 . . 5 ARG HG2 . 18972 1
36 . 1 1 5 5 ARG HG3 H 1 1.542 0.017 . 1 . 43 . . 5 ARG HG3 . 18972 1
37 . 1 1 5 5 ARG HD2 H 1 3.178 0.015 . 1 . 39 . . 5 ARG HD2 . 18972 1
38 . 1 1 5 5 ARG HD3 H 1 3.178 0.015 . 1 . 40 . . 5 ARG HD3 . 18972 1
39 . 1 1 5 5 ARG HE H 1 7.216 0.003 . 1 . 41 . . 5 ARG HE . 18972 1
40 . 1 1 5 5 ARG CA C 13 56.624 . . 1 . 31 . . 5 ARG CA . 18972 1
41 . 1 1 5 5 ARG CB C 13 29.836 0.005 . 1 . 32 . . 5 ARG CB . 18972 1
42 . 1 1 5 5 ARG CG C 13 27.500 . . 1 . 34 . . 5 ARG CG . 18972 1
43 . 1 1 5 5 ARG CD C 13 43.303 . . 1 . 33 . . 5 ARG CD . 18972 1
44 . 1 1 6 6 GLN H H 1 8.055 0.004 . 1 . 47 . . 6 GLN H . 18972 1
45 . 1 1 6 6 GLN HA H 1 4.335 0.014 . 1 . 48 . . 6 GLN HA . 18972 1
46 . 1 1 6 6 GLN HB2 H 1 2.195 0.018 . 2 . 49 . . 6 GLN HB2 . 18972 1
47 . 1 1 6 6 GLN HB3 H 1 2.099 0.015 . 2 . 50 . . 6 GLN HB3 . 18972 1
48 . 1 1 6 6 GLN HG2 H 1 2.383 0.014 . 1 . 53 . . 6 GLN HG2 . 18972 1
49 . 1 1 6 6 GLN HG3 H 1 2.383 0.014 . 1 . 54 . . 6 GLN HG3 . 18972 1
50 . 1 1 6 6 GLN HE21 H 1 7.509 0.001 . 1 . 51 . . 6 GLN HE21 . 18972 1
51 . 1 1 6 6 GLN HE22 H 1 6.877 0.002 . 1 . 52 . . 6 GLN HE22 . 18972 1
52 . 1 1 6 6 GLN CA C 13 55.876 . . 1 . 44 . . 6 GLN CA . 18972 1
53 . 1 1 6 6 GLN CB C 13 29.752 0.001 . 1 . 45 . . 6 GLN CB . 18972 1
54 . 1 1 6 6 GLN CG C 13 33.844 . . 1 . 46 . . 6 GLN CG . 18972 1
55 . 1 1 7 7 LEU H H 1 8.384 0.002 . 1 . 60 . . 7 LEU H . 18972 1
56 . 1 1 7 7 LEU HA H 1 4.160 0.015 . 1 . 61 . . 7 LEU HA . 18972 1
57 . 1 1 7 7 LEU HB2 H 1 1.742 0.019 . 2 . 62 . . 7 LEU HB2 . 18972 1
58 . 1 1 7 7 LEU HB3 H 1 1.617 0.017 . 2 . 63 . . 7 LEU HB3 . 18972 1
59 . 1 1 7 7 LEU HG H 1 1.635 0.027 . 1 . 66 . . 7 LEU HG . 18972 1
60 . 1 1 7 7 LEU HD11 H 1 0.942 0.032 . 2 . 64 . . 7 LEU HD11 . 18972 1
61 . 1 1 7 7 LEU HD12 H 1 0.942 0.032 . 2 . 64 . . 7 LEU HD12 . 18972 1
62 . 1 1 7 7 LEU HD13 H 1 0.942 0.032 . 2 . 64 . . 7 LEU HD13 . 18972 1
63 . 1 1 7 7 LEU HD21 H 1 0.901 0.027 . 2 . 65 . . 7 LEU HD21 . 18972 1
64 . 1 1 7 7 LEU HD22 H 1 0.901 0.027 . 2 . 65 . . 7 LEU HD22 . 18972 1
65 . 1 1 7 7 LEU HD23 H 1 0.901 0.027 . 2 . 65 . . 7 LEU HD23 . 18972 1
66 . 1 1 7 7 LEU CA C 13 56.748 . . 1 . 55 . . 7 LEU CA . 18972 1
67 . 1 1 7 7 LEU CB C 13 42.122 0.007 . 1 . 56 . . 7 LEU CB . 18972 1
68 . 1 1 7 7 LEU CG C 13 27.129 . . 1 . 59 . . 7 LEU CG . 18972 1
69 . 1 1 7 7 LEU CD1 C 13 24.737 . . 2 . 57 . . 7 LEU CD1 . 18972 1
70 . 1 1 7 7 LEU CD2 C 13 23.062 . . 2 . 58 . . 7 LEU CD2 . 18972 1
71 . 1 1 8 8 LEU H H 1 8.164 0.004 . 1 . 72 . . 8 LEU H . 18972 1
72 . 1 1 8 8 LEU HA H 1 4.323 0.013 . 1 . 73 . . 8 LEU HA . 18972 1
73 . 1 1 8 8 LEU HB2 H 1 1.740 0.019 . 2 . 74 . . 8 LEU HB2 . 18972 1
74 . 1 1 8 8 LEU HB3 H 1 1.635 0.023 . 2 . 75 . . 8 LEU HB3 . 18972 1
75 . 1 1 8 8 LEU HG H 1 1.674 . . 1 . 78 . . 8 LEU HG . 18972 1
76 . 1 1 8 8 LEU HD11 H 1 0.882 0.024 . 2 . 76 . . 8 LEU HD11 . 18972 1
77 . 1 1 8 8 LEU HD12 H 1 0.882 0.024 . 2 . 76 . . 8 LEU HD12 . 18972 1
78 . 1 1 8 8 LEU HD13 H 1 0.882 0.024 . 2 . 76 . . 8 LEU HD13 . 18972 1
79 . 1 1 8 8 LEU HD21 H 1 0.932 0.028 . 2 . 77 . . 8 LEU HD21 . 18972 1
80 . 1 1 8 8 LEU HD22 H 1 0.932 0.028 . 2 . 77 . . 8 LEU HD22 . 18972 1
81 . 1 1 8 8 LEU HD23 H 1 0.932 0.028 . 2 . 77 . . 8 LEU HD23 . 18972 1
82 . 1 1 8 8 LEU CA C 13 54.749 . . 1 . 67 . . 8 LEU CA . 18972 1
83 . 1 1 8 8 LEU CB C 13 41.828 0.004 . 1 . 68 . . 8 LEU CB . 18972 1
84 . 1 1 8 8 LEU CG C 13 27.138 . . 1 . 71 . . 8 LEU CG . 18972 1
85 . 1 1 8 8 LEU CD1 C 13 23.318 . . 2 . 69 . . 8 LEU CD1 . 18972 1
86 . 1 1 8 8 LEU CD2 C 13 25.126 . . 2 . 70 . . 8 LEU CD2 . 18972 1
87 . 1 1 9 9 CYS H H 1 8.506 0.001 . 1 . 81 . . 9 CYS H . 18972 1
88 . 1 1 9 9 CYS HA H 1 4.692 0.017 . 1 . 82 . . 9 CYS HA . 18972 1
89 . 1 1 9 9 CYS HB2 H 1 3.479 0.017 . 2 . 83 . . 9 CYS HB2 . 18972 1
90 . 1 1 9 9 CYS HB3 H 1 2.994 0.017 . 2 . 84 . . 9 CYS HB3 . 18972 1
91 . 1 1 9 9 CYS CA C 13 56.039 . . 1 . 79 . . 9 CYS CA . 18972 1
92 . 1 1 9 9 CYS CB C 13 40.590 0.001 . 1 . 80 . . 9 CYS CB . 18972 1
93 . 1 1 10 10 CYS H H 1 8.428 0.002 . 1 . 87 . . 10 CYS H . 18972 1
94 . 1 1 10 10 CYS HA H 1 4.440 0.018 . 1 . 88 . . 10 CYS HA . 18972 1
95 . 1 1 10 10 CYS HB2 H 1 3.429 0.022 . 2 . 89 . . 10 CYS HB2 . 18972 1
96 . 1 1 10 10 CYS HB3 H 1 3.234 0.014 . 2 . 90 . . 10 CYS HB3 . 18972 1
97 . 1 1 10 10 CYS CA C 13 57.639 . . 1 . 85 . . 10 CYS CA . 18972 1
98 . 1 1 10 10 CYS CB C 13 40.204 . . 1 . 86 . . 10 CYS CB . 18972 1
99 . 1 1 11 11 LEU H H 1 8.062 0.003 . 1 . 96 . . 11 LEU H . 18972 1
100 . 1 1 11 11 LEU HA H 1 4.269 0.019 . 1 . 97 . . 11 LEU HA . 18972 1
101 . 1 1 11 11 LEU HB2 H 1 1.657 0.023 . 2 . 98 . . 11 LEU HB2 . 18972 1
102 . 1 1 11 11 LEU HB3 H 1 1.505 0.021 . 2 . 99 . . 11 LEU HB3 . 18972 1
103 . 1 1 11 11 LEU HG H 1 1.591 0.024 . 1 . 102 . . 11 LEU HG . 18972 1
104 . 1 1 11 11 LEU HD11 H 1 0.923 . . 2 . 100 . . 11 LEU HD11 . 18972 1
105 . 1 1 11 11 LEU HD12 H 1 0.923 . . 2 . 100 . . 11 LEU HD12 . 18972 1
106 . 1 1 11 11 LEU HD13 H 1 0.923 . . 2 . 100 . . 11 LEU HD13 . 18972 1
107 . 1 1 11 11 LEU HD21 H 1 0.938 0.032 . 2 . 101 . . 11 LEU HD21 . 18972 1
108 . 1 1 11 11 LEU HD22 H 1 0.938 0.032 . 2 . 101 . . 11 LEU HD22 . 18972 1
109 . 1 1 11 11 LEU HD23 H 1 0.938 0.032 . 2 . 101 . . 11 LEU HD23 . 18972 1
110 . 1 1 11 11 LEU CA C 13 55.689 . . 1 . 91 . . 11 LEU CA . 18972 1
111 . 1 1 11 11 LEU CB C 13 42.359 0.007 . 1 . 92 . . 11 LEU CB . 18972 1
112 . 1 1 11 11 LEU CG C 13 27.156 . . 1 . 95 . . 11 LEU CG . 18972 1
113 . 1 1 11 11 LEU CD1 C 13 23.277 . . 2 . 93 . . 11 LEU CD1 . 18972 1
114 . 1 1 11 11 LEU CD2 C 13 24.873 . . 2 . 94 . . 11 LEU CD2 . 18972 1
115 . 1 1 12 12 ARG H H 1 8.254 0.002 . 1 . 107 . . 12 ARG H . 18972 1
116 . 1 1 12 12 ARG HA H 1 4.261 0.012 . 1 . 108 . . 12 ARG HA . 18972 1
117 . 1 1 12 12 ARG HB2 H 1 1.689 0.018 . 1 . 109 . . 12 ARG HB2 . 18972 1
118 . 1 1 12 12 ARG HB3 H 1 1.689 0.018 . 1 . 110 . . 12 ARG HB3 . 18972 1
119 . 1 1 12 12 ARG HG2 H 1 1.530 0.02 . 2 . 114 . . 12 ARG HG2 . 18972 1
120 . 1 1 12 12 ARG HG3 H 1 1.472 0.015 . 2 . 115 . . 12 ARG HG3 . 18972 1
121 . 1 1 12 12 ARG HD2 H 1 3.137 0.017 . 1 . 111 . . 12 ARG HD2 . 18972 1
122 . 1 1 12 12 ARG HD3 H 1 3.137 0.017 . 1 . 112 . . 12 ARG HD3 . 18972 1
123 . 1 1 12 12 ARG HE H 1 7.151 0.004 . 1 . 113 . . 12 ARG HE . 18972 1
124 . 1 1 12 12 ARG CA C 13 55.689 . . 1 . 103 . . 12 ARG CA . 18972 1
125 . 1 1 12 12 ARG CB C 13 30.918 . . 1 . 104 . . 12 ARG CB . 18972 1
126 . 1 1 12 12 ARG CG C 13 27.085 0.001 . 1 . 106 . . 12 ARG CG . 18972 1
127 . 1 1 12 12 ARG CD C 13 43.253 . . 1 . 105 . . 12 ARG CD . 18972 1
128 . 1 1 13 13 PHE H H 1 8.317 0.003 . 1 . 122 . . 13 PHE H . 18972 1
129 . 1 1 13 13 PHE HA H 1 4.620 0.019 . 1 . 123 . . 13 PHE HA . 18972 1
130 . 1 1 13 13 PHE HB2 H 1 3.045 0.016 . 1 . 124 . . 13 PHE HB2 . 18972 1
131 . 1 1 13 13 PHE HB3 H 1 3.045 0.016 . 1 . 125 . . 13 PHE HB3 . 18972 1
132 . 1 1 13 13 PHE HD1 H 1 7.221 0.003 . 3 . 126 . . 13 PHE HD1 . 18972 1
133 . 1 1 13 13 PHE HD2 H 1 7.221 0.003 . 3 . 127 . . 13 PHE HD2 . 18972 1
134 . 1 1 13 13 PHE HE1 H 1 7.322 0.001 . 3 . 128 . . 13 PHE HE1 . 18972 1
135 . 1 1 13 13 PHE HE2 H 1 7.322 0.001 . 3 . 129 . . 13 PHE HE2 . 18972 1
136 . 1 1 13 13 PHE CA C 13 57.685 . . 1 . 116 . . 13 PHE CA . 18972 1
137 . 1 1 13 13 PHE CB C 13 39.756 . . 1 . 117 . . 13 PHE CB . 18972 1
138 . 1 1 13 13 PHE CD1 C 13 132.241 . . 3 . 118 . . 13 PHE CD1 . 18972 1
139 . 1 1 13 13 PHE CD2 C 13 132.241 . . 3 . 119 . . 13 PHE CD2 . 18972 1
140 . 1 1 13 13 PHE CE1 C 13 131.654 . . 3 . 120 . . 13 PHE CE1 . 18972 1
141 . 1 1 13 13 PHE CE2 C 13 131.654 . . 3 . 121 . . 13 PHE CE2 . 18972 1
142 . 1 1 14 14 VAL H H 1 8.023 0.008 . 1 . 134 . . 14 VAL H . 18972 1
143 . 1 1 14 14 VAL HA H 1 4.006 0.017 . 1 . 135 . . 14 VAL HA . 18972 1
144 . 1 1 14 14 VAL HB H 1 1.979 0.024 . 1 . 136 . . 14 VAL HB . 18972 1
145 . 1 1 14 14 VAL HG11 H 1 0.883 0.03 . 2 . 137 . . 14 VAL HG11 . 18972 1
146 . 1 1 14 14 VAL HG12 H 1 0.883 0.03 . 2 . 137 . . 14 VAL HG12 . 18972 1
147 . 1 1 14 14 VAL HG13 H 1 0.883 0.03 . 2 . 137 . . 14 VAL HG13 . 18972 1
148 . 1 1 14 14 VAL HG21 H 1 0.875 0.023 . 2 . 138 . . 14 VAL HG21 . 18972 1
149 . 1 1 14 14 VAL HG22 H 1 0.875 0.023 . 2 . 138 . . 14 VAL HG22 . 18972 1
150 . 1 1 14 14 VAL HG23 H 1 0.875 0.023 . 2 . 138 . . 14 VAL HG23 . 18972 1
151 . 1 1 14 14 VAL CA C 13 61.888 . . 1 . 130 . . 14 VAL CA . 18972 1
152 . 1 1 14 14 VAL CB C 13 32.661 . . 1 . 131 . . 14 VAL CB . 18972 1
153 . 1 1 14 14 VAL CG1 C 13 20.982 . . 2 . 132 . . 14 VAL CG1 . 18972 1
154 . 1 1 14 14 VAL CG2 C 13 20.296 . . 2 . 133 . . 14 VAL CG2 . 18972 1
stop_
save_