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 30921
_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' . . . 30921 1
2 '1H-1H NOESY' . . . 30921 1
3 '1H-15N HSQC' . . . 30921 1
4 '1H-13C HSQC' . . . 30921 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 3.901 0.000 . . . . . A A 1 GLY HA2 . 30921 1
2 . 1 . 1 1 1 GLY HA3 H 1 3.901 0.000 . . . . . A A 1 GLY HA3 . 30921 1
3 . 1 . 1 1 1 GLY CA C 13 43.449 0.000 . . . . . A A 1 GLY CA . 30921 1
4 . 1 . 1 2 2 CYS HA H 1 4.704 0.005 . . . . . A A 2 CYS HA . 30921 1
5 . 1 . 1 2 2 CYS HB2 H 1 3.106 0.000 . . . . . A A 2 CYS HB2 . 30921 1
6 . 1 . 1 2 2 CYS HB3 H 1 3.303 0.000 . . . . . A A 2 CYS HB3 . 30921 1
7 . 1 . 1 2 2 CYS CA C 13 57.287 0.000 . . . . . A A 2 CYS CA . 30921 1
8 . 1 . 1 2 2 CYS CB C 13 41.933 0.000 . . . . . A A 2 CYS CB . 30921 1
9 . 1 . 1 3 3 CYS H H 1 8.628 0.001 . . . . . A A 3 CYS H . 30921 1
10 . 1 . 1 3 3 CYS HA H 1 4.521 0.000 . . . . . A A 3 CYS HA . 30921 1
11 . 1 . 1 3 3 CYS HB2 H 1 2.940 0.002 . . . . . A A 3 CYS HB2 . 30921 1
12 . 1 . 1 3 3 CYS HB3 H 1 3.242 0.004 . . . . . A A 3 CYS HB3 . 30921 1
13 . 1 . 1 3 3 CYS CA C 13 54.757 0.000 . . . . . A A 3 CYS CA . 30921 1
14 . 1 . 1 3 3 CYS CB C 13 38.852 0.000 . . . . . A A 3 CYS CB . 30921 1
15 . 1 . 1 3 3 CYS N N 15 115.421 0.000 . . . . . A A 3 CYS N . 30921 1
16 . 1 . 1 4 4 SER H H 1 8.191 0.001 . . . . . A A 4 SER H . 30921 1
17 . 1 . 1 4 4 SER HA H 1 4.397 0.004 . . . . . A A 4 SER HA . 30921 1
18 . 1 . 1 4 4 SER HB2 H 1 3.918 0.006 . . . . . A A 4 SER HB2 . 30921 1
19 . 1 . 1 4 4 SER HB3 H 1 3.992 0.007 . . . . . A A 4 SER HB3 . 30921 1
20 . 1 . 1 4 4 SER CA C 13 58.828 0.000 . . . . . A A 4 SER CA . 30921 1
21 . 1 . 1 4 4 SER CB C 13 63.247 0.000 . . . . . A A 4 SER CB . 30921 1
22 . 1 . 1 4 4 SER N N 15 113.976 0.000 . . . . . A A 4 SER N . 30921 1
23 . 1 . 1 5 5 ASP H H 1 7.878 0.002 . . . . . A A 5 ASP H . 30921 1
24 . 1 . 1 5 5 ASP HA H 1 5.063 0.003 . . . . . A A 5 ASP HA . 30921 1
25 . 1 . 1 5 5 ASP HB2 H 1 2.618 0.011 . . . . . A A 5 ASP HB2 . 30921 1
26 . 1 . 1 5 5 ASP HB3 H 1 3.056 0.014 . . . . . A A 5 ASP HB3 . 30921 1
27 . 1 . 1 5 5 ASP CA C 13 50.961 0.000 . . . . . A A 5 ASP CA . 30921 1
28 . 1 . 1 5 5 ASP CB C 13 43.202 0.000 . . . . . A A 5 ASP CB . 30921 1
29 . 1 . 1 5 5 ASP N N 15 123.749 0.000 . . . . . A A 5 ASP N . 30921 1
30 . 1 . 1 6 6 PRO HA H 1 4.397 0.007 . . . . . A A 6 PRO HA . 30921 1
31 . 1 . 1 6 6 PRO HB2 H 1 1.981 0.002 . . . . . A A 6 PRO HB2 . 30921 1
32 . 1 . 1 6 6 PRO HB3 H 1 2.395 0.005 . . . . . A A 6 PRO HB3 . 30921 1
33 . 1 . 1 6 6 PRO HG2 H 1 2.055 0.002 . . . . . A A 6 PRO HG2 . 30921 1
34 . 1 . 1 6 6 PRO HG3 H 1 2.055 0.002 . . . . . A A 6 PRO HG3 . 30921 1
35 . 1 . 1 6 6 PRO HD2 H 1 3.968 0.017 . . . . . A A 6 PRO HD2 . 30921 1
36 . 1 . 1 6 6 PRO HD3 H 1 3.941 0.017 . . . . . A A 6 PRO HD3 . 30921 1
37 . 1 . 1 6 6 PRO CA C 13 64.673 0.000 . . . . . A A 6 PRO CA . 30921 1
38 . 1 . 1 6 6 PRO CB C 13 32.225 0.000 . . . . . A A 6 PRO CB . 30921 1
39 . 1 . 1 6 6 PRO CG C 13 27.238 0.000 . . . . . A A 6 PRO CG . 30921 1
40 . 1 . 1 6 6 PRO CD C 13 51.158 0.000 . . . . . A A 6 PRO CD . 30921 1
41 . 1 . 1 7 7 ARG H H 1 8.315 0.001 . . . . . A A 7 ARG H . 30921 1
42 . 1 . 1 7 7 ARG HA H 1 4.172 0.005 . . . . . A A 7 ARG HA . 30921 1
43 . 1 . 1 7 7 ARG HB2 H 1 1.748 0.022 . . . . . A A 7 ARG HB2 . 30921 1
44 . 1 . 1 7 7 ARG HB3 H 1 1.835 0.020 . . . . . A A 7 ARG HB3 . 30921 1
45 . 1 . 1 7 7 ARG HG2 H 1 1.624 0.010 . . . . . A A 7 ARG HG2 . 30921 1
46 . 1 . 1 7 7 ARG HG3 H 1 1.624 0.010 . . . . . A A 7 ARG HG3 . 30921 1
47 . 1 . 1 7 7 ARG HD2 H 1 3.138 0.018 . . . . . A A 7 ARG HD2 . 30921 1
48 . 1 . 1 7 7 ARG HD3 H 1 3.223 0.022 . . . . . A A 7 ARG HD3 . 30921 1
49 . 1 . 1 7 7 ARG HE H 1 7.489 0.003 . . . . . A A 7 ARG HE . 30921 1
50 . 1 . 1 7 7 ARG CA C 13 57.135 0.000 . . . . . A A 7 ARG CA . 30921 1
51 . 1 . 1 7 7 ARG CB C 13 29.700 0.000 . . . . . A A 7 ARG CB . 30921 1
52 . 1 . 1 7 7 ARG CG C 13 27.065 0.000 . . . . . A A 7 ARG CG . 30921 1
53 . 1 . 1 7 7 ARG CD C 13 43.195 0.000 . . . . . A A 7 ARG CD . 30921 1
54 . 1 . 1 7 7 ARG N N 15 84.773 0.000 . . . . . A A 7 ARG N . 30921 1
55 . 1 . 1 7 7 ARG NE N 15 116.780 0.000 . . . . . A A 7 ARG NE . 30921 1
56 . 1 . 1 8 8 CYS H H 1 7.957 0.001 . . . . . A A 8 CYS H . 30921 1
57 . 1 . 1 8 8 CYS HA H 1 4.414 0.006 . . . . . A A 8 CYS HA . 30921 1
58 . 1 . 1 8 8 CYS HB2 H 1 3.327 0.007 . . . . . A A 8 CYS HB2 . 30921 1
59 . 1 . 1 8 8 CYS HB3 H 1 3.617 0.003 . . . . . A A 8 CYS HB3 . 30921 1
60 . 1 . 1 8 8 CYS CA C 13 57.800 0.000 . . . . . A A 8 CYS CA . 30921 1
61 . 1 . 1 8 8 CYS CB C 13 41.698 0.000 . . . . . A A 8 CYS CB . 30921 1
62 . 1 . 1 8 8 CYS N N 15 119.085 0.000 . . . . . A A 8 CYS N . 30921 1
63 . 1 . 1 9 9 ASN H H 1 8.587 0.000 . . . . . A A 9 ASN H . 30921 1
64 . 1 . 1 9 9 ASN HA H 1 4.528 0.000 . . . . . A A 9 ASN HA . 30921 1
65 . 1 . 1 9 9 ASN HB2 H 1 2.884 0.006 . . . . . A A 9 ASN HB2 . 30921 1
66 . 1 . 1 9 9 ASN HB3 H 1 2.884 0.006 . . . . . A A 9 ASN HB3 . 30921 1
67 . 1 . 1 9 9 ASN HD21 H 1 7.559 0.000 . . . . . A A 9 ASN HD21 . 30921 1
68 . 1 . 1 9 9 ASN HD22 H 1 6.891 0.000 . . . . . A A 9 ASN HD22 . 30921 1
69 . 1 . 1 9 9 ASN CA C 13 57.178 0.000 . . . . . A A 9 ASN CA . 30921 1
70 . 1 . 1 9 9 ASN CB C 13 38.812 0.000 . . . . . A A 9 ASN CB . 30921 1
71 . 1 . 1 9 9 ASN N N 15 121.337 0.000 . . . . . A A 9 ASN N . 30921 1
72 . 1 . 1 9 9 ASN ND2 N 15 112.310 0.000 . . . . . A A 9 ASN ND2 . 30921 1
73 . 1 . 1 10 10 MET H H 1 7.964 0.002 . . . . . A A 10 MET H . 30921 1
74 . 1 . 1 10 10 MET HA H 1 4.271 0.005 . . . . . A A 10 MET HA . 30921 1
75 . 1 . 1 10 10 MET HB2 H 1 2.060 0.000 . . . . . A A 10 MET HB2 . 30921 1
76 . 1 . 1 10 10 MET HB3 H 1 2.060 0.013 . . . . . A A 10 MET HB3 . 30921 1
77 . 1 . 1 10 10 MET HG2 H 1 2.520 0.012 . . . . . A A 10 MET HG2 . 30921 1
78 . 1 . 1 10 10 MET HG3 H 1 2.562 0.012 . . . . . A A 10 MET HG3 . 30921 1
79 . 1 . 1 10 10 MET HE1 H 1 2.063 0.001 . . . . . A A 10 MET HE1 . 30921 1
80 . 1 . 1 10 10 MET HE2 H 1 2.063 0.001 . . . . . A A 10 MET HE2 . 30921 1
81 . 1 . 1 10 10 MET HE3 H 1 2.063 0.001 . . . . . A A 10 MET HE3 . 30921 1
82 . 1 . 1 10 10 MET CA C 13 56.814 0.000 . . . . . A A 10 MET CA . 30921 1
83 . 1 . 1 10 10 MET CB C 13 32.433 0.000 . . . . . A A 10 MET CB . 30921 1
84 . 1 . 1 10 10 MET CG C 13 31.804 0.000 . . . . . A A 10 MET CG . 30921 1
85 . 1 . 1 10 10 MET CE C 13 16.851 0.000 . . . . . A A 10 MET CE . 30921 1
86 . 1 . 1 10 10 MET N N 15 118.272 0.000 . . . . . A A 10 MET N . 30921 1
87 . 1 . 1 11 11 ASN H H 1 8.048 0.000 . . . . . A A 11 ASN H . 30921 1
88 . 1 . 1 11 11 ASN HA H 1 4.675 0.002 . . . . . A A 11 ASN HA . 30921 1
89 . 1 . 1 11 11 ASN HB2 H 1 2.760 0.013 . . . . . A A 11 ASN HB2 . 30921 1
90 . 1 . 1 11 11 ASN HB3 H 1 2.881 0.009 . . . . . A A 11 ASN HB3 . 30921 1
91 . 1 . 1 11 11 ASN HD21 H 1 7.530 0.000 . . . . . A A 11 ASN HD21 . 30921 1
92 . 1 . 1 11 11 ASN HD22 H 1 6.835 0.000 . . . . . A A 11 ASN HD22 . 30921 1
93 . 1 . 1 11 11 ASN CA C 13 53.679 0.000 . . . . . A A 11 ASN CA . 30921 1
94 . 1 . 1 11 11 ASN CB C 13 38.898 0.000 . . . . . A A 11 ASN CB . 30921 1
95 . 1 . 1 11 11 ASN N N 15 116.973 0.000 . . . . . A A 11 ASN N . 30921 1
96 . 1 . 1 11 11 ASN ND2 N 15 112.423 0.000 . . . . . A A 11 ASN ND2 . 30921 1
97 . 1 . 1 12 12 ASN H H 1 7.854 0.001 . . . . . A A 12 ASN H . 30921 1
98 . 1 . 1 12 12 ASN HA H 1 5.021 0.005 . . . . . A A 12 ASN HA . 30921 1
99 . 1 . 1 12 12 ASN HB2 H 1 2.656 0.016 . . . . . A A 12 ASN HB2 . 30921 1
100 . 1 . 1 12 12 ASN HB3 H 1 2.729 0.003 . . . . . A A 12 ASN HB3 . 30921 1
101 . 1 . 1 12 12 ASN HD21 H 1 7.589 0.000 . . . . . A A 12 ASN HD21 . 30921 1
102 . 1 . 1 12 12 ASN HD22 H 1 6.981 0.000 . . . . . A A 12 ASN HD22 . 30921 1
103 . 1 . 1 12 12 ASN CA C 13 51.604 0.000 . . . . . A A 12 ASN CA . 30921 1
104 . 1 . 1 12 12 ASN CB C 13 39.458 0.000 . . . . . A A 12 ASN CB . 30921 1
105 . 1 . 1 12 12 ASN N N 15 118.251 0.000 . . . . . A A 12 ASN N . 30921 1
106 . 1 . 1 12 12 ASN ND2 N 15 114.088 0.000 . . . . . A A 12 ASN ND2 . 30921 1
107 . 1 . 1 13 13 PRO HA H 1 4.471 0.003 . . . . . A A 13 PRO HA . 30921 1
108 . 1 . 1 13 13 PRO HB2 H 1 1.902 0.003 . . . . . A A 13 PRO HB2 . 30921 1
109 . 1 . 1 13 13 PRO HB3 H 1 2.238 0.015 . . . . . A A 13 PRO HB3 . 30921 1
110 . 1 . 1 13 13 PRO HG2 H 1 1.985 0.010 . . . . . A A 13 PRO HG2 . 30921 1
111 . 1 . 1 13 13 PRO HG3 H 1 1.985 0.010 . . . . . A A 13 PRO HG3 . 30921 1
112 . 1 . 1 13 13 PRO HD2 H 1 3.597 0.008 . . . . . A A 13 PRO HD2 . 30921 1
113 . 1 . 1 13 13 PRO HD3 H 1 3.690 0.012 . . . . . A A 13 PRO HD3 . 30921 1
114 . 1 . 1 13 13 PRO CA C 13 64.260 0.000 . . . . . A A 13 PRO CA . 30921 1
115 . 1 . 1 13 13 PRO CB C 13 31.889 0.000 . . . . . A A 13 PRO CB . 30921 1
116 . 1 . 1 13 13 PRO CG C 13 27.193 0.000 . . . . . A A 13 PRO CG . 30921 1
117 . 1 . 1 13 13 PRO CD C 13 50.578 0.000 . . . . . A A 13 PRO CD . 30921 1
118 . 1 . 1 14 14 ASP H H 1 8.345 0.001 . . . . . A A 14 ASP H . 30921 1
119 . 1 . 1 14 14 ASP HA H 1 4.533 0.005 . . . . . A A 14 ASP HA . 30921 1
120 . 1 . 1 14 14 ASP HB2 H 1 2.571 0.012 . . . . . A A 14 ASP HB2 . 30921 1
121 . 1 . 1 14 14 ASP HB3 H 1 2.646 0.011 . . . . . A A 14 ASP HB3 . 30921 1
122 . 1 . 1 14 14 ASP CA C 13 54.881 0.000 . . . . . A A 14 ASP CA . 30921 1
123 . 1 . 1 14 14 ASP CB C 13 40.498 0.000 . . . . . A A 14 ASP CB . 30921 1
124 . 1 . 1 14 14 ASP N N 15 118.276 0.000 . . . . . A A 14 ASP N . 30921 1
125 . 1 . 1 15 15 TYS H H 1 7.754 0.000 . . . . . A A 15 TYS H . 30921 1
126 . 1 . 1 15 15 TYS N N 15 118.356 0.000 . . . . . A A 15 TYS N . 30921 1
127 . 1 . 1 15 15 TYS CA C 13 57.859 0.000 . . . . . A A 15 TYS CA . 30921 1
128 . 1 . 1 15 15 TYS CB C 13 39.613 0.000 . . . . . A A 15 TYS CB . 30921 1
129 . 1 . 1 15 15 TYS CD1 C 13 133.151 0.000 . . . . . A A 15 TYS CD1 . 30921 1
130 . 1 . 1 15 15 TYS CE1 C 13 124.268 0.000 . . . . . A A 15 TYS CE1 . 30921 1
131 . 1 . 1 15 15 TYS HA H 1 4.618 0.003 . . . . . A A 15 TYS HA . 30921 1
132 . 1 . 1 15 15 TYS HB2 H 1 3.100 0.014 . . . . . A A 15 TYS HB2 . 30921 1
133 . 1 . 1 15 15 TYS HB3 H 1 3.155 0.004 . . . . . A A 15 TYS HB3 . 30921 1
134 . 1 . 1 15 15 TYS HD2 H 1 7.268 0.000 . . . . . A A 15 TYS HD2 . 30921 1
135 . 1 . 1 15 15 TYS HE2 H 1 7.234 0.000 . . . . . A A 15 TYS HE2 . 30921 1
136 . 1 . 1 16 16 CYS H H 1 7.805 0.001 . . . . . A A 16 CYS H . 30921 1
137 . 1 . 1 16 16 CYS HA H 1 4.557 0.005 . . . . . A A 16 CYS HA . 30921 1
138 . 1 . 1 16 16 CYS HB2 H 1 2.830 0.015 . . . . . A A 16 CYS HB2 . 30921 1
139 . 1 . 1 16 16 CYS HB3 H 1 3.280 0.007 . . . . . A A 16 CYS HB3 . 30921 1
140 . 1 . 1 16 16 CYS CA C 13 55.950 0.000 . . . . . A A 16 CYS CA . 30921 1
141 . 1 . 1 16 16 CYS CB C 13 41.781 0.000 . . . . . A A 16 CYS CB . 30921 1
stop_
save_