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 30913
_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' . . . 30913 1
2 '1H-1H NOESY' . . . 30913 1
3 '1H-15N HSQC' . . . 30913 1
4 '1H-13C HSQC' . . . 30913 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 3.877 0.000 . . . . . A A 1 GLY HA2 . 30913 1
2 . 1 . 1 1 1 GLY HA3 H 1 3.877 0.000 . . . . . A A 1 GLY HA3 . 30913 1
3 . 1 . 1 1 1 GLY CA C 13 43.516 0.000 . . . . . A A 1 GLY CA . 30913 1
4 . 1 . 1 2 2 CYS HA H 1 4.682 0.001 . . . . . A A 2 CYS HA . 30913 1
5 . 1 . 1 2 2 CYS HB2 H 1 3.261 0.000 . . . . . A A 2 CYS HB2 . 30913 1
6 . 1 . 1 2 2 CYS HB3 H 1 3.164 0.011 . . . . . A A 2 CYS HB3 . 30913 1
7 . 1 . 1 2 2 CYS CA C 13 57.100 0.000 . . . . . A A 2 CYS CA . 30913 1
8 . 1 . 1 2 2 CYS CB C 13 41.841 0.000 . . . . . A A 2 CYS CB . 30913 1
9 . 1 . 1 3 3 CYS H H 1 8.662 0.001 . . . . . A A 3 CYS H . 30913 1
10 . 1 . 1 3 3 CYS HA H 1 4.526 0.002 . . . . . A A 3 CYS HA . 30913 1
11 . 1 . 1 3 3 CYS HB2 H 1 3.259 0.011 . . . . . A A 3 CYS HB2 . 30913 1
12 . 1 . 1 3 3 CYS HB3 H 1 3.005 0.012 . . . . . A A 3 CYS HB3 . 30913 1
13 . 1 . 1 3 3 CYS CA C 13 58.234 0.000 . . . . . A A 3 CYS CA . 30913 1
14 . 1 . 1 3 3 CYS CB C 13 39.101 0.000 . . . . . A A 3 CYS CB . 30913 1
15 . 1 . 1 3 3 CYS N N 15 115.786 0.000 . . . . . A A 3 CYS N . 30913 1
16 . 1 . 1 4 4 SER H H 1 8.203 0.001 . . . . . A A 4 SER H . 30913 1
17 . 1 . 1 4 4 SER HA H 1 4.391 0.002 . . . . . A A 4 SER HA . 30913 1
18 . 1 . 1 4 4 SER HB2 H 1 4.003 0.000 . . . . . A A 4 SER HB2 . 30913 1
19 . 1 . 1 4 4 SER HB3 H 1 3.912 0.000 . . . . . A A 4 SER HB3 . 30913 1
20 . 1 . 1 4 4 SER CA C 13 58.852 0.000 . . . . . A A 4 SER CA . 30913 1
21 . 1 . 1 4 4 SER CB C 13 63.252 0.000 . . . . . A A 4 SER CB . 30913 1
22 . 1 . 1 4 4 SER N N 15 113.875 0.000 . . . . . A A 4 SER N . 30913 1
23 . 1 . 1 5 5 ASP H H 1 7.836 0.002 . . . . . A A 5 ASP H . 30913 1
24 . 1 . 1 5 5 ASP HA H 1 5.064 0.003 . . . . . A A 5 ASP HA . 30913 1
25 . 1 . 1 5 5 ASP HB2 H 1 3.039 0.011 . . . . . A A 5 ASP HB2 . 30913 1
26 . 1 . 1 5 5 ASP HB3 H 1 2.616 0.011 . . . . . A A 5 ASP HB3 . 30913 1
27 . 1 . 1 5 5 ASP CA C 13 50.962 0.000 . . . . . A A 5 ASP CA . 30913 1
28 . 1 . 1 5 5 ASP CB C 13 43.198 0.000 . . . . . A A 5 ASP CB . 30913 1
29 . 1 . 1 5 5 ASP N N 15 123.608 0.000 . . . . . A A 5 ASP N . 30913 1
30 . 1 . 1 6 6 PRO HA H 1 4.390 0.002 . . . . . A A 6 PRO HA . 30913 1
31 . 1 . 1 6 6 PRO HB2 H 1 2.389 0.009 . . . . . A A 6 PRO HB2 . 30913 1
32 . 1 . 1 6 6 PRO HB3 H 1 1.974 0.010 . . . . . A A 6 PRO HB3 . 30913 1
33 . 1 . 1 6 6 PRO HG2 H 1 2.058 0.003 . . . . . A A 6 PRO HG2 . 30913 1
34 . 1 . 1 6 6 PRO HG3 H 1 2.058 0.003 . . . . . A A 6 PRO HG3 . 30913 1
35 . 1 . 1 6 6 PRO HD2 H 1 3.934 0.013 . . . . . A A 6 PRO HD2 . 30913 1
36 . 1 . 1 6 6 PRO HD3 H 1 3.934 0.013 . . . . . A A 6 PRO HD3 . 30913 1
37 . 1 . 1 6 6 PRO CA C 13 64.595 0.000 . . . . . A A 6 PRO CA . 30913 1
38 . 1 . 1 6 6 PRO CB C 13 32.284 0.000 . . . . . A A 6 PRO CB . 30913 1
39 . 1 . 1 6 6 PRO CG C 13 27.230 0.000 . . . . . A A 6 PRO CG . 30913 1
40 . 1 . 1 6 6 PRO CD C 13 51.174 0.000 . . . . . A A 6 PRO CD . 30913 1
41 . 1 . 1 7 7 ARG H H 1 8.346 0.002 . . . . . A A 7 ARG H . 30913 1
42 . 1 . 1 7 7 ARG HA H 1 4.169 0.004 . . . . . A A 7 ARG HA . 30913 1
43 . 1 . 1 7 7 ARG HB2 H 1 1.824 0.012 . . . . . A A 7 ARG HB2 . 30913 1
44 . 1 . 1 7 7 ARG HB3 H 1 1.725 0.010 . . . . . A A 7 ARG HB3 . 30913 1
45 . 1 . 1 7 7 ARG HG2 H 1 1.620 0.012 . . . . . A A 7 ARG HG2 . 30913 1
46 . 1 . 1 7 7 ARG HG3 H 1 1.620 0.012 . . . . . A A 7 ARG HG3 . 30913 1
47 . 1 . 1 7 7 ARG HD2 H 1 3.181 0.024 . . . . . A A 7 ARG HD2 . 30913 1
48 . 1 . 1 7 7 ARG HD3 H 1 3.120 0.007 . . . . . A A 7 ARG HD3 . 30913 1
49 . 1 . 1 7 7 ARG HE H 1 7.492 0.002 . . . . . A A 7 ARG HE . 30913 1
50 . 1 . 1 7 7 ARG CA C 13 57.028 0.000 . . . . . A A 7 ARG CA . 30913 1
51 . 1 . 1 7 7 ARG CB C 13 29.709 0.000 . . . . . A A 7 ARG CB . 30913 1
52 . 1 . 1 7 7 ARG CG C 13 27.124 0.000 . . . . . A A 7 ARG CG . 30913 1
53 . 1 . 1 7 7 ARG CD C 13 43.180 0.000 . . . . . A A 7 ARG CD . 30913 1
54 . 1 . 1 7 7 ARG N N 15 116.638 0.000 . . . . . A A 7 ARG N . 30913 1
55 . 1 . 1 7 7 ARG NE N 15 84.805 0.000 . . . . . A A 7 ARG NE . 30913 1
56 . 1 . 1 8 8 CYS H H 1 7.963 0.006 . . . . . A A 8 CYS H . 30913 1
57 . 1 . 1 8 8 CYS HA H 1 4.419 0.004 . . . . . A A 8 CYS HA . 30913 1
58 . 1 . 1 8 8 CYS HB2 H 1 3.603 0.013 . . . . . A A 8 CYS HB2 . 30913 1
59 . 1 . 1 8 8 CYS HB3 H 1 3.312 0.012 . . . . . A A 8 CYS HB3 . 30913 1
60 . 1 . 1 8 8 CYS CA C 13 57.607 0.000 . . . . . A A 8 CYS CA . 30913 1
61 . 1 . 1 8 8 CYS CB C 13 41.689 0.000 . . . . . A A 8 CYS CB . 30913 1
62 . 1 . 1 8 8 CYS N N 15 119.046 0.000 . . . . . A A 8 CYS N . 30913 1
63 . 1 . 1 9 9 ASN H H 1 8.549 0.001 . . . . . A A 9 ASN H . 30913 1
64 . 1 . 1 9 9 ASN HA H 1 4.541 0.002 . . . . . A A 9 ASN HA . 30913 1
65 . 1 . 1 9 9 ASN HB2 H 1 2.878 0.011 . . . . . A A 9 ASN HB2 . 30913 1
66 . 1 . 1 9 9 ASN HB3 H 1 2.878 0.011 . . . . . A A 9 ASN HB3 . 30913 1
67 . 1 . 1 9 9 ASN HD21 H 1 7.565 0.003 . . . . . A A 9 ASN HD21 . 30913 1
68 . 1 . 1 9 9 ASN HD22 H 1 6.886 0.005 . . . . . A A 9 ASN HD22 . 30913 1
69 . 1 . 1 9 9 ASN CA C 13 54.467 0.000 . . . . . A A 9 ASN CA . 30913 1
70 . 1 . 1 9 9 ASN CB C 13 38.773 0.000 . . . . . A A 9 ASN CB . 30913 1
71 . 1 . 1 9 9 ASN N N 15 121.656 0.000 . . . . . A A 9 ASN N . 30913 1
72 . 1 . 1 9 9 ASN ND2 N 15 112.320 0.000 . . . . . A A 9 ASN ND2 . 30913 1
73 . 1 . 1 10 10 MET H H 1 8.000 0.001 . . . . . A A 10 MET H . 30913 1
74 . 1 . 1 10 10 MET HA H 1 4.271 0.002 . . . . . A A 10 MET HA . 30913 1
75 . 1 . 1 10 10 MET HB2 H 1 2.044 0.019 . . . . . A A 10 MET HB2 . 30913 1
76 . 1 . 1 10 10 MET HB3 H 1 2.053 0.021 . . . . . A A 10 MET HB3 . 30913 1
77 . 1 . 1 10 10 MET HG2 H 1 2.528 0.014 . . . . . A A 10 MET HG2 . 30913 1
78 . 1 . 1 10 10 MET HG3 H 1 2.528 0.014 . . . . . A A 10 MET HG3 . 30913 1
79 . 1 . 1 10 10 MET HE1 H 1 2.032 0.000 . . . . . A A 10 MET HE1 . 30913 1
80 . 1 . 1 10 10 MET HE2 H 1 2.032 0.000 . . . . . A A 10 MET HE2 . 30913 1
81 . 1 . 1 10 10 MET HE3 H 1 2.032 0.000 . . . . . A A 10 MET HE3 . 30913 1
82 . 1 . 1 10 10 MET CA C 13 56.822 0.000 . . . . . A A 10 MET CA . 30913 1
83 . 1 . 1 10 10 MET CB C 13 32.341 0.000 . . . . . A A 10 MET CB . 30913 1
84 . 1 . 1 10 10 MET CG C 13 31.814 0.000 . . . . . A A 10 MET CG . 30913 1
85 . 1 . 1 10 10 MET CE C 13 16.859 0.000 . . . . . A A 10 MET CE . 30913 1
86 . 1 . 1 10 10 MET N N 15 118.471 0.000 . . . . . A A 10 MET N . 30913 1
87 . 1 . 1 11 11 ASN H H 1 8.088 0.002 . . . . . A A 11 ASN H . 30913 1
88 . 1 . 1 11 11 ASN HA H 1 4.652 0.004 . . . . . A A 11 ASN HA . 30913 1
89 . 1 . 1 11 11 ASN HB2 H 1 2.883 0.016 . . . . . A A 11 ASN HB2 . 30913 1
90 . 1 . 1 11 11 ASN HB3 H 1 2.755 0.013 . . . . . A A 11 ASN HB3 . 30913 1
91 . 1 . 1 11 11 ASN HD21 H 1 7.524 0.001 . . . . . A A 11 ASN HD21 . 30913 1
92 . 1 . 1 11 11 ASN HD22 H 1 6.846 0.002 . . . . . A A 11 ASN HD22 . 30913 1
93 . 1 . 1 11 11 ASN CA C 13 53.663 0.000 . . . . . A A 11 ASN CA . 30913 1
94 . 1 . 1 11 11 ASN CB C 13 38.787 0.000 . . . . . A A 11 ASN CB . 30913 1
95 . 1 . 1 11 11 ASN N N 15 116.952 0.000 . . . . . A A 11 ASN N . 30913 1
96 . 1 . 1 11 11 ASN ND2 N 15 112.414 0.000 . . . . . A A 11 ASN ND2 . 30913 1
97 . 1 . 1 12 12 ASN H H 1 7.874 0.016 . . . . . A A 12 ASN H . 30913 1
98 . 1 . 1 12 12 ASN HA H 1 5.011 0.005 . . . . . A A 12 ASN HA . 30913 1
99 . 1 . 1 12 12 ASN HB2 H 1 2.776 0.015 . . . . . A A 12 ASN HB2 . 30913 1
100 . 1 . 1 12 12 ASN HB3 H 1 2.690 0.010 . . . . . A A 12 ASN HB3 . 30913 1
101 . 1 . 1 12 12 ASN HD21 H 1 7.636 0.024 . . . . . A A 12 ASN HD21 . 30913 1
102 . 1 . 1 12 12 ASN HD22 H 1 6.966 0.011 . . . . . A A 12 ASN HD22 . 30913 1
103 . 1 . 1 12 12 ASN CA C 13 51.593 0.000 . . . . . A A 12 ASN CA . 30913 1
104 . 1 . 1 12 12 ASN CB C 13 39.469 0.000 . . . . . A A 12 ASN CB . 30913 1
105 . 1 . 1 12 12 ASN N N 15 118.432 0.000 . . . . . A A 12 ASN N . 30913 1
106 . 1 . 1 12 12 ASN ND2 N 15 113.872 0.000 . . . . . A A 12 ASN ND2 . 30913 1
107 . 1 . 1 13 13 PRO HA H 1 4.448 0.003 . . . . . A A 13 PRO HA . 30913 1
108 . 1 . 1 13 13 PRO HB2 H 1 2.236 0.019 . . . . . A A 13 PRO HB2 . 30913 1
109 . 1 . 1 13 13 PRO HB3 H 1 1.938 0.010 . . . . . A A 13 PRO HB3 . 30913 1
110 . 1 . 1 13 13 PRO HG2 H 1 1.985 0.010 . . . . . A A 13 PRO HG2 . 30913 1
111 . 1 . 1 13 13 PRO HG3 H 1 1.989 0.015 . . . . . A A 13 PRO HG3 . 30913 1
112 . 1 . 1 13 13 PRO HD2 H 1 3.677 0.017 . . . . . A A 13 PRO HD2 . 30913 1
113 . 1 . 1 13 13 PRO HD3 H 1 3.596 0.010 . . . . . A A 13 PRO HD3 . 30913 1
114 . 1 . 1 13 13 PRO CA C 13 64.269 0.000 . . . . . A A 13 PRO CA . 30913 1
115 . 1 . 1 13 13 PRO CB C 13 31.911 0.000 . . . . . A A 13 PRO CB . 30913 1
116 . 1 . 1 13 13 PRO CG C 13 27.103 0.000 . . . . . A A 13 PRO CG . 30913 1
117 . 1 . 1 13 13 PRO CD C 13 50.610 0.000 . . . . . A A 13 PRO CD . 30913 1
118 . 1 . 1 14 14 ASP H H 1 8.315 0.001 . . . . . A A 14 ASP H . 30913 1
119 . 1 . 1 14 14 ASP HA H 1 4.491 0.003 . . . . . A A 14 ASP HA . 30913 1
120 . 1 . 1 14 14 ASP HB2 H 1 2.536 0.013 . . . . . A A 14 ASP HB2 . 30913 1
121 . 1 . 1 14 14 ASP HB3 H 1 2.477 0.015 . . . . . A A 14 ASP HB3 . 30913 1
122 . 1 . 1 14 14 ASP CA C 13 54.828 0.000 . . . . . A A 14 ASP CA . 30913 1
123 . 1 . 1 14 14 ASP CB C 13 40.638 0.000 . . . . . A A 14 ASP CB . 30913 1
124 . 1 . 1 14 14 ASP N N 15 118.340 0.000 . . . . . A A 14 ASP N . 30913 1
125 . 1 . 1 15 15 TYR H H 1 7.773 0.003 . . . . . A A 15 TYR H . 30913 1
126 . 1 . 1 15 15 TYR HA H 1 4.538 0.001 . . . . . A A 15 TYR HA . 30913 1
127 . 1 . 1 15 15 TYR HB2 H 1 3.104 0.010 . . . . . A A 15 TYR HB2 . 30913 1
128 . 1 . 1 15 15 TYR HB3 H 1 2.939 0.015 . . . . . A A 15 TYR HB3 . 30913 1
129 . 1 . 1 15 15 TYR HD1 H 1 7.080 0.015 . . . . . A A 15 TYR HD1 . 30913 1
130 . 1 . 1 15 15 TYR HD2 H 1 7.080 0.015 . . . . . A A 15 TYR HD2 . 30913 1
131 . 1 . 1 15 15 TYR HE1 H 1 6.804 0.008 . . . . . A A 15 TYR HE1 . 30913 1
132 . 1 . 1 15 15 TYR HE2 H 1 6.804 0.008 . . . . . A A 15 TYR HE2 . 30913 1
133 . 1 . 1 15 15 TYR CA C 13 57.174 0.000 . . . . . A A 15 TYR CA . 30913 1
134 . 1 . 1 15 15 TYR CB C 13 39.342 0.000 . . . . . A A 15 TYR CB . 30913 1
135 . 1 . 1 15 15 TYR CD1 C 13 133.117 0.000 . . . . . A A 15 TYR CD1 . 30913 1
136 . 1 . 1 15 15 TYR CE1 C 13 118.261 0.000 . . . . . A A 15 TYR CE1 . 30913 1
137 . 1 . 1 15 15 TYR N N 15 118.528 0.000 . . . . . A A 15 TYR N . 30913 1
138 . 1 . 1 16 16 CYS H H 1 7.771 0.001 . . . . . A A 16 CYS H . 30913 1
139 . 1 . 1 16 16 CYS HA H 1 4.550 0.012 . . . . . A A 16 CYS HA . 30913 1
140 . 1 . 1 16 16 CYS HB2 H 1 3.287 0.009 . . . . . A A 16 CYS HB2 . 30913 1
141 . 1 . 1 16 16 CYS HB3 H 1 2.866 0.008 . . . . . A A 16 CYS HB3 . 30913 1
142 . 1 . 1 16 16 CYS CA C 13 56.213 0.000 . . . . . A A 16 CYS CA . 30913 1
143 . 1 . 1 16 16 CYS CB C 13 42.330 0.000 . . . . . A A 16 CYS CB . 30913 1
stop_
save_