Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 30920
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 .
_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 '1H-1H TOCSY' . . . 30920 1
2 '1H-1H NOESY' . . . 30920 1
3 '1H-15N HSQC' . . . 30920 1
4 '1H-13C HSQC' . . . 30920 1
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 1 1 GLY HA2 H 1 3.899 0.000 . . . . . A A 1 GLY HA2 . 30920 1
2 . 1 . 1 1 1 GLY HA3 H 1 3.899 0.000 . . . . . A A 1 GLY HA3 . 30920 1
3 . 1 . 1 1 1 GLY CA C 13 43.623 0.000 . . . . . A A 1 GLY CA . 30920 1
4 . 1 . 1 2 2 CYS HA H 1 4.546 0.000 . . . . . A A 2 CYS HA . 30920 1
5 . 1 . 1 2 2 CYS HB2 H 1 2.849 0.009 . . . . . A A 2 CYS HB2 . 30920 1
6 . 1 . 1 2 2 CYS HB3 H 1 3.343 0.000 . . . . . A A 2 CYS HB3 . 30920 1
7 . 1 . 1 2 2 CYS CA C 13 58.469 0.000 . . . . . A A 2 CYS CA . 30920 1
8 . 1 . 1 2 2 CYS CB C 13 42.602 0.002 . . . . . A A 2 CYS CB . 30920 1
9 . 1 . 1 3 3 CYS H H 1 8.575 0.000 . . . . . A A 3 CYS H . 30920 1
10 . 1 . 1 3 3 CYS HA H 1 4.455 0.001 . . . . . A A 3 CYS HA . 30920 1
11 . 1 . 1 3 3 CYS HB2 H 1 2.759 0.004 . . . . . A A 3 CYS HB2 . 30920 1
12 . 1 . 1 3 3 CYS HB3 H 1 3.238 0.009 . . . . . A A 3 CYS HB3 . 30920 1
13 . 1 . 1 3 3 CYS CA C 13 58.909 0.000 . . . . . A A 3 CYS CA . 30920 1
14 . 1 . 1 3 3 CYS CB C 13 38.836 0.001 . . . . . A A 3 CYS CB . 30920 1
15 . 1 . 1 3 3 CYS N N 15 112.432 0.000 . . . . . A A 3 CYS N . 30920 1
16 . 1 . 1 4 4 SER H H 1 7.971 0.000 . . . . . A A 4 SER H . 30920 1
17 . 1 . 1 4 4 SER HA H 1 4.447 0.000 . . . . . A A 4 SER HA . 30920 1
18 . 1 . 1 4 4 SER HB2 H 1 3.914 0.003 . . . . . A A 4 SER HB2 . 30920 1
19 . 1 . 1 4 4 SER HB3 H 1 4.010 0.004 . . . . . A A 4 SER HB3 . 30920 1
20 . 1 . 1 4 4 SER CA C 13 56.560 0.000 . . . . . A A 4 SER CA . 30920 1
21 . 1 . 1 4 4 SER CB C 13 63.346 0.019 . . . . . A A 4 SER CB . 30920 1
22 . 1 . 1 5 5 ASP H H 1 8.038 0.001 . . . . . A A 5 ASP H . 30920 1
23 . 1 . 1 5 5 ASP HA H 1 5.146 0.002 . . . . . A A 5 ASP HA . 30920 1
24 . 1 . 1 5 5 ASP HB2 H 1 2.644 0.008 . . . . . A A 5 ASP HB2 . 30920 1
25 . 1 . 1 5 5 ASP HB3 H 1 3.173 0.005 . . . . . A A 5 ASP HB3 . 30920 1
26 . 1 . 1 5 5 ASP CA C 13 50.539 0.000 . . . . . A A 5 ASP CA . 30920 1
27 . 1 . 1 5 5 ASP CB C 13 43.310 0.000 . . . . . A A 5 ASP CB . 30920 1
28 . 1 . 1 5 5 ASP N N 15 124.809 0.000 . . . . . A A 5 ASP N . 30920 1
29 . 1 . 1 6 6 PRO HA H 1 4.282 0.004 . . . . . A A 6 PRO HA . 30920 1
30 . 1 . 1 6 6 PRO HB2 H 1 1.970 0.006 . . . . . A A 6 PRO HB2 . 30920 1
31 . 1 . 1 6 6 PRO HB3 H 1 2.385 0.008 . . . . . A A 6 PRO HB3 . 30920 1
32 . 1 . 1 6 6 PRO HG2 H 1 2.082 0.006 . . . . . A A 6 PRO HG2 . 30920 1
33 . 1 . 1 6 6 PRO HG3 H 1 2.082 0.006 . . . . . A A 6 PRO HG3 . 30920 1
34 . 1 . 1 6 6 PRO HD2 H 1 3.928 0.003 . . . . . A A 6 PRO HD2 . 30920 1
35 . 1 . 1 6 6 PRO HD3 H 1 4.030 0.007 . . . . . A A 6 PRO HD3 . 30920 1
36 . 1 . 1 6 6 PRO CA C 13 65.219 0.000 . . . . . A A 6 PRO CA . 30920 1
37 . 1 . 1 6 6 PRO CB C 13 32.325 0.000 . . . . . A A 6 PRO CB . 30920 1
38 . 1 . 1 6 6 PRO CG C 13 27.357 0.000 . . . . . A A 6 PRO CG . 30920 1
39 . 1 . 1 6 6 PRO CD C 13 50.993 0.000 . . . . . A A 6 PRO CD . 30920 1
40 . 1 . 1 7 7 ARG H H 1 8.036 0.001 . . . . . A A 7 ARG H . 30920 1
41 . 1 . 1 7 7 ARG HA H 1 4.115 0.001 . . . . . A A 7 ARG HA . 30920 1
42 . 1 . 1 7 7 ARG HB2 H 1 1.850 0.014 . . . . . A A 7 ARG HB2 . 30920 1
43 . 1 . 1 7 7 ARG HB3 H 1 1.867 0.023 . . . . . A A 7 ARG HB3 . 30920 1
44 . 1 . 1 7 7 ARG HG2 H 1 1.613 0.014 . . . . . A A 7 ARG HG2 . 30920 1
45 . 1 . 1 7 7 ARG HG3 H 1 1.635 0.022 . . . . . A A 7 ARG HG3 . 30920 1
46 . 1 . 1 7 7 ARG HD2 H 1 3.191 0.008 . . . . . A A 7 ARG HD2 . 30920 1
47 . 1 . 1 7 7 ARG HD3 H 1 3.191 0.008 . . . . . A A 7 ARG HD3 . 30920 1
48 . 1 . 1 7 7 ARG CA C 13 57.979 0.000 . . . . . A A 7 ARG CA . 30920 1
49 . 1 . 1 7 7 ARG CB C 13 29.703 0.006 . . . . . A A 7 ARG CB . 30920 1
50 . 1 . 1 7 7 ARG CG C 13 27.075 0.000 . . . . . A A 7 ARG CG . 30920 1
51 . 1 . 1 7 7 ARG CD C 13 43.185 0.000 . . . . . A A 7 ARG CD . 30920 1
52 . 1 . 1 7 7 ARG N N 15 116.516 0.000 . . . . . A A 7 ARG N . 30920 1
53 . 1 . 1 8 8 CYS H H 1 8.027 0.002 . . . . . A A 8 CYS H . 30920 1
54 . 1 . 1 8 8 CYS HA H 1 4.241 0.003 . . . . . A A 8 CYS HA . 30920 1
55 . 1 . 1 8 8 CYS HB2 H 1 3.331 0.006 . . . . . A A 8 CYS HB2 . 30920 1
56 . 1 . 1 8 8 CYS HB3 H 1 4.038 0.021 . . . . . A A 8 CYS HB3 . 30920 1
57 . 1 . 1 8 8 CYS CA C 13 59.595 0.000 . . . . . A A 8 CYS CA . 30920 1
58 . 1 . 1 8 8 CYS CB C 13 41.557 0.025 . . . . . A A 8 CYS CB . 30920 1
59 . 1 . 1 8 8 CYS N N 15 120.352 0.000 . . . . . A A 8 CYS N . 30920 1
60 . 1 . 1 9 9 ASN H H 1 8.890 0.000 . . . . . A A 9 ASN H . 30920 1
61 . 1 . 1 9 9 ASN HA H 1 4.416 0.000 . . . . . A A 9 ASN HA . 30920 1
62 . 1 . 1 9 9 ASN HB2 H 1 2.841 0.001 . . . . . A A 9 ASN HB2 . 30920 1
63 . 1 . 1 9 9 ASN HB3 H 1 2.841 0.001 . . . . . A A 9 ASN HB3 . 30920 1
64 . 1 . 1 9 9 ASN HD21 H 1 7.774 0.000 . . . . . A A 9 ASN HD21 . 30920 1
65 . 1 . 1 9 9 ASN HD22 H 1 6.880 0.008 . . . . . A A 9 ASN HD22 . 30920 1
66 . 1 . 1 9 9 ASN CA C 13 56.360 0.000 . . . . . A A 9 ASN CA . 30920 1
67 . 1 . 1 9 9 ASN CB C 13 39.071 0.000 . . . . . A A 9 ASN CB . 30920 1
68 . 1 . 1 9 9 ASN N N 15 121.195 0.000 . . . . . A A 9 ASN N . 30920 1
69 . 1 . 1 9 9 ASN ND2 N 15 112.908 0.007 . . . . . A A 9 ASN ND2 . 30920 1
70 . 1 . 1 10 10 MET H H 1 7.704 0.001 . . . . . A A 10 MET H . 30920 1
71 . 1 . 1 10 10 MET HA H 1 4.172 0.003 . . . . . A A 10 MET HA . 30920 1
72 . 1 . 1 10 10 MET HB2 H 1 2.562 0.004 . . . . . A A 10 MET HB2 . 30920 1
73 . 1 . 1 10 10 MET HB3 H 1 2.562 0.004 . . . . . A A 10 MET HB3 . 30920 1
74 . 1 . 1 10 10 MET HG2 H 1 2.071 0.006 . . . . . A A 10 MET HG2 . 30920 1
75 . 1 . 1 10 10 MET HG3 H 1 2.071 0.006 . . . . . A A 10 MET HG3 . 30920 1
76 . 1 . 1 10 10 MET HE1 H 1 2.030 0.000 . . . . . A A 10 MET HE1 . 30920 1
77 . 1 . 1 10 10 MET HE2 H 1 2.030 0.000 . . . . . A A 10 MET HE2 . 30920 1
78 . 1 . 1 10 10 MET HE3 H 1 2.030 0.000 . . . . . A A 10 MET HE3 . 30920 1
79 . 1 . 1 10 10 MET CA C 13 57.306 0.000 . . . . . A A 10 MET CA . 30920 1
80 . 1 . 1 10 10 MET CB C 13 31.633 0.000 . . . . . A A 10 MET CB . 30920 1
81 . 1 . 1 10 10 MET CG C 13 32.399 0.000 . . . . . A A 10 MET CG . 30920 1
82 . 1 . 1 10 10 MET CE C 13 16.696 0.000 . . . . . A A 10 MET CE . 30920 1
83 . 1 . 1 10 10 MET N N 15 116.675 0.000 . . . . . A A 10 MET N . 30920 1
84 . 1 . 1 11 11 ASN H H 1 7.678 0.001 . . . . . A A 11 ASN H . 30920 1
85 . 1 . 1 11 11 ASN HA H 1 4.681 0.002 . . . . . A A 11 ASN HA . 30920 1
86 . 1 . 1 11 11 ASN HB2 H 1 2.791 0.007 . . . . . A A 11 ASN HB2 . 30920 1
87 . 1 . 1 11 11 ASN HB3 H 1 2.942 0.009 . . . . . A A 11 ASN HB3 . 30920 1
88 . 1 . 1 11 11 ASN HD21 H 1 7.496 0.000 . . . . . A A 11 ASN HD21 . 30920 1
89 . 1 . 1 11 11 ASN HD22 H 1 6.794 0.000 . . . . . A A 11 ASN HD22 . 30920 1
90 . 1 . 1 11 11 ASN CA C 13 53.449 0.000 . . . . . A A 11 ASN CA . 30920 1
91 . 1 . 1 11 11 ASN CB C 13 39.210 0.004 . . . . . A A 11 ASN CB . 30920 1
92 . 1 . 1 11 11 ASN N N 15 115.763 0.000 . . . . . A A 11 ASN N . 30920 1
93 . 1 . 1 11 11 ASN ND2 N 15 111.827 0.003 . . . . . A A 11 ASN ND2 . 30920 1
94 . 1 . 1 12 12 ASN H H 1 7.741 0.001 . . . . . A A 12 ASN H . 30920 1
95 . 1 . 1 12 12 ASN HA H 1 5.219 0.002 . . . . . A A 12 ASN HA . 30920 1
96 . 1 . 1 12 12 ASN HB2 H 1 2.754 0.001 . . . . . A A 12 ASN HB2 . 30920 1
97 . 1 . 1 12 12 ASN HB3 H 1 2.806 0.008 . . . . . A A 12 ASN HB3 . 30920 1
98 . 1 . 1 12 12 ASN HD21 H 1 7.893 0.000 . . . . . A A 12 ASN HD21 . 30920 1
99 . 1 . 1 12 12 ASN CA C 13 51.923 0.000 . . . . . A A 12 ASN CA . 30920 1
100 . 1 . 1 12 12 ASN CB C 13 40.065 0.018 . . . . . A A 12 ASN CB . 30920 1
101 . 1 . 1 12 12 ASN N N 15 118.742 0.000 . . . . . A A 12 ASN N . 30920 1
102 . 1 . 1 12 12 ASN ND2 N 15 117.361 0.000 . . . . . A A 12 ASN ND2 . 30920 1
103 . 1 . 1 13 13 PRO HA H 1 4.426 0.005 . . . . . A A 13 PRO HA . 30920 1
104 . 1 . 1 13 13 PRO HB2 H 1 1.972 0.006 . . . . . A A 13 PRO HB2 . 30920 1
105 . 1 . 1 13 13 PRO HB3 H 1 2.314 0.006 . . . . . A A 13 PRO HB3 . 30920 1
106 . 1 . 1 13 13 PRO HG2 H 1 2.044 0.004 . . . . . A A 13 PRO HG2 . 30920 1
107 . 1 . 1 13 13 PRO HG3 H 1 2.044 0.004 . . . . . A A 13 PRO HG3 . 30920 1
108 . 1 . 1 13 13 PRO HD2 H 1 3.547 0.010 . . . . . A A 13 PRO HD2 . 30920 1
109 . 1 . 1 13 13 PRO HD3 H 1 3.740 0.007 . . . . . A A 13 PRO HD3 . 30920 1
110 . 1 . 1 13 13 PRO CA C 13 64.960 0.000 . . . . . A A 13 PRO CA . 30920 1
111 . 1 . 1 13 13 PRO CB C 13 31.683 0.005 . . . . . A A 13 PRO CB . 30920 1
112 . 1 . 1 13 13 PRO CG C 13 27.426 0.000 . . . . . A A 13 PRO CG . 30920 1
113 . 1 . 1 13 13 PRO CD C 13 50.580 0.002 . . . . . A A 13 PRO CD . 30920 1
114 . 1 . 1 14 14 ASP H H 1 8.448 0.002 . . . . . A A 14 ASP H . 30920 1
115 . 1 . 1 14 14 ASP HA H 1 4.446 0.001 . . . . . A A 14 ASP HA . 30920 1
116 . 1 . 1 14 14 ASP HB2 H 1 2.635 0.002 . . . . . A A 14 ASP HB2 . 30920 1
117 . 1 . 1 14 14 ASP HB3 H 1 2.678 0.006 . . . . . A A 14 ASP HB3 . 30920 1
118 . 1 . 1 14 14 ASP CA C 13 56.399 0.000 . . . . . A A 14 ASP CA . 30920 1
119 . 1 . 1 14 14 ASP CB C 13 40.354 0.008 . . . . . A A 14 ASP CB . 30920 1
120 . 1 . 1 14 14 ASP N N 15 118.264 0.000 . . . . . A A 14 ASP N . 30920 1
121 . 1 . 1 15 15 TYS H H 1 7.807 0.002 . . . . . A A 15 TYS H . 30920 1
122 . 1 . 1 15 15 TYS N N 15 119.153 0.000 . . . . . A A 15 TYS N . 30920 1
123 . 1 . 1 15 15 TYS CA C 13 58.992 0.000 . . . . . A A 15 TYS CA . 30920 1
124 . 1 . 1 15 15 TYS CB C 13 39.725 0.000 . . . . . A A 15 TYS CB . 30920 1
125 . 1 . 1 15 15 TYS CD1 C 13 133.228 0.000 . . . . . A A 15 TYS CD1 . 30920 1
126 . 1 . 1 15 15 TYS CE1 C 13 124.131 0.000 . . . . . A A 15 TYS CE1 . 30920 1
127 . 1 . 1 15 15 TYS HA H 1 4.486 0.003 . . . . . A A 15 TYS HA . 30920 1
128 . 1 . 1 15 15 TYS HB2 H 1 3.016 0.006 . . . . . A A 15 TYS HB2 . 30920 1
129 . 1 . 1 15 15 TYS HB3 H 1 3.223 0.005 . . . . . A A 15 TYS HB3 . 30920 1
130 . 1 . 1 15 15 TYS HD2 H 1 7.228 0.000 . . . . . A A 15 TYS HD2 . 30920 1
131 . 1 . 1 15 15 TYS HE2 H 1 7.197 0.000 . . . . . A A 15 TYS HE2 . 30920 1
132 . 1 . 1 16 16 CYS H H 1 8.161 0.000 . . . . . A A 16 CYS H . 30920 1
133 . 1 . 1 16 16 CYS HA H 1 4.613 0.003 . . . . . A A 16 CYS HA . 30920 1
134 . 1 . 1 16 16 CYS HB2 H 1 2.770 0.004 . . . . . A A 16 CYS HB2 . 30920 1
135 . 1 . 1 16 16 CYS HB3 H 1 3.235 0.008 . . . . . A A 16 CYS HB3 . 30920 1
136 . 1 . 1 16 16 CYS CA C 13 53.989 0.000 . . . . . A A 16 CYS CA . 30920 1
137 . 1 . 1 16 16 CYS CB C 13 36.705 0.004 . . . . . A A 16 CYS CB . 30920 1
138 . 1 . 1 16 16 CYS N N 15 115.751 0.000 . . . . . A A 16 CYS N . 30920 1
139 . 1 . 1 17 17 NH2 N N 15 108.210 0.000 . . . . . A A 17 NH2 N . 30920 1
140 . 1 . 1 17 17 NH2 HN1 H 1 7.245 0.000 . . . . . A A 17 NH2 HN1 . 30920 1
stop_
save_