Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 15973
_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 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.2
_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
2 '2D DQF-COSY' . . . 15973 1
3 '2D 1H-1H TOCSY' . . . 15973 1
6 '2D 1H-13C HSQC' . . . 15973 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $SPARKY . . 15973 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 VAL HA H 1 4.000 0.01 . 1 . . . . 1 V HA . 15973 1
2 . 1 1 1 1 VAL HB H 1 2.052 0.01 . 1 . . . . 1 V HB . 15973 1
3 . 1 1 1 1 VAL HG11 H 1 0.790 0.01 . . . . . . 1 V HG1# . 15973 1
4 . 1 1 1 1 VAL HG12 H 1 0.790 0.01 . . . . . . 1 V HG1# . 15973 1
5 . 1 1 1 1 VAL HG13 H 1 0.790 0.01 . . . . . . 1 V HG1# . 15973 1
6 . 1 1 1 1 VAL HG21 H 1 0.820 0.01 . . . . . . 1 V HG2# . 15973 1
7 . 1 1 1 1 VAL HG22 H 1 0.820 0.01 . . . . . . 1 V HG2# . 15973 1
8 . 1 1 1 1 VAL HG23 H 1 0.820 0.01 . . . . . . 1 V HG2# . 15973 1
9 . 1 1 1 1 VAL CA C 13 58.192 0.2 . 1 . . . . 1 V CA . 15973 1
10 . 1 1 1 1 VAL CB C 13 30.850 0.2 . 1 . . . . 1 V CB . 15973 1
11 . 1 1 1 1 VAL CG1 C 13 17.433 0.2 . 2 . . . . 1 V CG1 . 15973 1
12 . 1 1 1 1 VAL CG2 C 13 18.220 0.2 . 2 . . . . 1 V CG2 . 15973 1
13 . 1 1 2 2 ASN H H 1 7.137 0.01 . 1 . . . . 2 N HN . 15973 1
14 . 1 1 2 2 ASN HA H 1 5.077 0.01 . 1 . . . . 2 N HA . 15973 1
15 . 1 1 2 2 ASN HB2 H 1 2.583 0.01 . . . . . . 2 N HB# . 15973 1
16 . 1 1 2 2 ASN HB3 H 1 2.583 0.01 . . . . . . 2 N HB# . 15973 1
17 . 1 1 2 2 ASN HD21 H 1 7.541 0.01 . 2 . . . . 2 N HD21 . 15973 1
18 . 1 1 2 2 ASN HD22 H 1 6.845 0.01 . 2 . . . . 2 N HD22 . 15973 1
19 . 1 1 2 2 ASN CA C 13 50.039 0.2 . 1 . . . . 2 N CA . 15973 1
20 . 1 1 2 2 ASN CB C 13 38.600 0.2 . 1 . . . . 2 N CB . 15973 1
21 . 1 1 3 3 TRP H H 1 8.538 0.01 . 1 . . . . 3 W HN . 15973 1
22 . 1 1 3 3 TRP HA H 1 4.523 0.01 . 1 . . . . 3 W HA . 15973 1
23 . 1 1 3 3 TRP HB2 H 1 2.320 0.01 . . . . . . 3 W HB1 . 15973 1
24 . 1 1 3 3 TRP HB3 H 1 2.875 0.01 . 2 . . . . 3 W HB2 . 15973 1
25 . 1 1 3 3 TRP HD1 H 1 6.765 0.01 . 1 . . . . 3 W HD1 . 15973 1
26 . 1 1 3 3 TRP HE1 H 1 9.754 0.01 . 1 . . . . 3 W HE1 . 15973 1
27 . 1 1 3 3 TRP HE3 H 1 5.769 0.01 . 1 . . . . 3 W HE3 . 15973 1
28 . 1 1 3 3 TRP HH2 H 1 6.856 0.01 . 1 . . . . 3 W HH2 . 15973 1
29 . 1 1 3 3 TRP HZ2 H 1 7.105 0.01 . 1 . . . . 3 W HZ2 . 15973 1
30 . 1 1 3 3 TRP HZ3 H 1 6.380 0.01 . 1 . . . . 3 W HZ3 . 15973 1
31 . 1 1 3 3 TRP CA C 13 53.668 0.2 . 1 . . . . 3 W CA . 15973 1
32 . 1 1 3 3 TRP CB C 13 26.677 0.2 . 1 . . . . 3 W CB . 15973 1
33 . 1 1 3 3 TRP CD1 C 13 124.082 0.2 . 1 . . . . 3 W CD1 . 15973 1
34 . 1 1 3 3 TRP CE3 C 13 117.629 0.2 . 1 . . . . 3 W CE3 . 15973 1
35 . 1 1 3 3 TRP CH2 C 13 121.476 0.2 . 1 . . . . 3 W CH2 . 15973 1
36 . 1 1 3 3 TRP CZ2 C 13 111.621 0.2 . 1 . . . . 3 W CZ2 . 15973 1
37 . 1 1 3 3 TRP CZ3 C 13 118.480 0.2 . 1 . . . . 3 W CZ3 . 15973 1
38 . 1 1 4 4 VAL H H 1 8.162 0.01 . 1 . . . . 4 V HN . 15973 1
39 . 1 1 4 4 VAL HA H 1 3.925 0.01 . 1 . . . . 4 V HA . 15973 1
40 . 1 1 4 4 VAL HB H 1 1.590 0.01 . 1 . . . . 4 V HB . 15973 1
41 . 1 1 4 4 VAL HG11 H 1 0.644 0.01 . . . . . . 4 V HG1# . 15973 1
42 . 1 1 4 4 VAL HG12 H 1 0.644 0.01 . . . . . . 4 V HG1# . 15973 1
43 . 1 1 4 4 VAL HG13 H 1 0.644 0.01 . . . . . . 4 V HG1# . 15973 1
44 . 1 1 4 4 VAL HG21 H 1 0.439 0.01 . . . . . . 4 V HG2# . 15973 1
45 . 1 1 4 4 VAL HG22 H 1 0.439 0.01 . . . . . . 4 V HG2# . 15973 1
46 . 1 1 4 4 VAL HG23 H 1 0.439 0.01 . . . . . . 4 V HG2# . 15973 1
47 . 1 1 4 4 VAL CA C 13 58.544 0.2 . 1 . . . . 4 V CA . 15973 1
48 . 1 1 4 4 VAL CB C 13 31.896 0.2 . 1 . . . . 4 V CB . 15973 1
49 . 1 1 4 4 VAL CG1 C 13 18.507 0.2 . 2 . . . . 4 V CG1 . 15973 1
50 . 1 1 4 4 VAL CG2 C 13 18.655 0.2 . 2 . . . . 4 V CG2 . 15973 1
51 . 1 1 5 5 CYS H H 1 8.086 0.01 . 1 . . . . 5 C HN . 15973 1
52 . 1 1 5 5 CYS HA H 1 4.588 0.01 . 1 . . . . 5 C HA . 15973 1
53 . 1 1 5 5 CYS HB2 H 1 2.592 0.01 . . . . . . 5 C HB# . 15973 1
54 . 1 1 5 5 CYS HB3 H 1 2.592 0.01 . . . . . . 5 C HB# . 15973 1
55 . 1 1 5 5 CYS CA C 13 52.125 0.2 . 1 . . . . 5 C CA . 15973 1
56 . 1 1 5 5 CYS CB C 13 42.385 0.2 . 1 . . . . 5 C CB . 15973 1
57 . 1 1 6 6 PHE H H 1 8.249 0.01 . 1 . . . . 6 F HN . 15973 1
58 . 1 1 6 6 PHE HA H 1 4.605 0.01 . 1 . . . . 6 F HA . 15973 1
59 . 1 1 6 6 PHE HB2 H 1 3.070 0.01 . . . . . . 6 F HB1 . 15973 1
60 . 1 1 6 6 PHE HB3 H 1 2.686 0.01 . 2 . . . . 6 F HB2 . 15973 1
61 . 1 1 6 6 PHE HD1 H 1 7.090 0.01 . . . . . . 6 F HD# . 15973 1
62 . 1 1 6 6 PHE HD2 H 1 7.090 0.01 . . . . . . 6 F HD# . 15973 1
63 . 1 1 6 6 PHE HE1 H 1 6.860 0.01 . . . . . . 6 F HE# . 15973 1
64 . 1 1 6 6 PHE HE2 H 1 6.860 0.01 . . . . . . 6 F HE# . 15973 1
65 . 1 1 6 6 PHE HZ H 1 6.380 0.01 . 1 . . . . 6 F HZ . 15973 1
66 . 1 1 6 6 PHE CA C 13 53.930 0.2 . 1 . . . . 6 F CA . 15973 1
67 . 1 1 6 6 PHE CB C 13 38.201 0.2 . 1 . . . . 6 F CB . 15973 1
68 . 1 1 6 6 PHE CD1 C 13 129.144 0.2 . . . . . . 6 F CD . 15973 1
69 . 1 1 6 6 PHE CD2 C 13 129.144 0.2 . . . . . . 6 F CD . 15973 1
70 . 1 1 6 6 PHE CE1 C 13 128.605 0.2 . . . . . . 6 F CE . 15973 1
71 . 1 1 6 6 PHE CE2 C 13 128.605 0.2 . . . . . . 6 F CE . 15973 1
72 . 1 1 6 6 PHE CZ C 13 127.143 0.2 . 1 . . . . 6 F CZ . 15973 1
73 . 1 1 7 7 ARG H H 1 7.090 0.01 . 1 . . . . 7 R HN . 15973 1
74 . 1 1 7 7 ARG HA H 1 3.869 0.01 . 1 . . . . 7 R HA . 15973 1
75 . 1 1 7 7 ARG HB2 H 1 1.650 0.01 . . . . . . 7 R HB# . 15973 1
76 . 1 1 7 7 ARG HB3 H 1 1.650 0.01 . . . . . . 7 R HB# . 15973 1
77 . 1 1 7 7 ARG HD2 H 1 3.030 0.01 . . . . . . 7 R HD# . 15973 1
78 . 1 1 7 7 ARG HD3 H 1 3.030 0.01 . . . . . . 7 R HD# . 15973 1
79 . 1 1 7 7 ARG HG2 H 1 1.403 0.01 . . . . . . 7 R HG# . 15973 1
80 . 1 1 7 7 ARG HG3 H 1 1.403 0.01 . . . . . . 7 R HG# . 15973 1
81 . 1 1 7 7 ARG CA C 13 55.083 0.2 . 1 . . . . 7 R CA . 15973 1
82 . 1 1 7 7 ARG CB C 13 27.344 0.2 . 1 . . . . 7 R CB . 15973 1
83 . 1 1 7 7 ARG CD C 13 40.500 0.2 . 1 . . . . 7 R CD . 15973 1
84 . 1 1 7 7 ARG CG C 13 24.105 0.2 . 1 . . . . 7 R CG . 15973 1
85 . 1 1 8 8 ASP H H 1 8.615 0.01 . 1 . . . . 8 D HN . 15973 1
86 . 1 1 8 8 ASP HA H 1 4.310 0.01 . 1 . . . . 8 D HA . 15973 1
87 . 1 1 8 8 ASP HB2 H 1 2.690 0.01 . . . . . . 8 D HB1 . 15973 1
88 . 1 1 8 8 ASP HB3 H 1 2.760 0.01 . 2 . . . . 8 D HB2 . 15973 1
89 . 1 1 8 8 ASP CA C 13 53.550 0.2 . 1 . . . . 8 D CA . 15973 1
90 . 1 1 8 8 ASP CB C 13 37.401 0.2 . 1 . . . . 8 D CB . 15973 1
91 . 1 1 9 9 VAL H H 1 7.801 0.01 . 1 . . . . 9 V HN . 15973 1
92 . 1 1 9 9 VAL HA H 1 4.119 0.01 . 1 . . . . 9 V HA . 15973 1
93 . 1 1 9 9 VAL HB H 1 2.050 0.01 . 1 . . . . 9 V HB . 15973 1
94 . 1 1 9 9 VAL HG11 H 1 0.790 0.01 . . . . . . 9 V HG1# . 15973 1
95 . 1 1 9 9 VAL HG12 H 1 0.790 0.01 . . . . . . 9 V HG1# . 15973 1
96 . 1 1 9 9 VAL HG13 H 1 0.790 0.01 . . . . . . 9 V HG1# . 15973 1
97 . 1 1 9 9 VAL HG21 H 1 0.784 0.01 . . . . . . 9 V HG2# . 15973 1
98 . 1 1 9 9 VAL HG22 H 1 0.784 0.01 . . . . . . 9 V HG2# . 15973 1
99 . 1 1 9 9 VAL HG23 H 1 0.784 0.01 . . . . . . 9 V HG2# . 15973 1
100 . 1 1 9 9 VAL CA C 13 59.984 0.2 . 1 . . . . 9 V CA . 15973 1
101 . 1 1 9 9 VAL CB C 13 30.350 0.2 . 1 . . . . 9 V CB . 15973 1
102 . 1 1 9 9 VAL CG1 C 13 16.973 0.2 . 2 . . . . 9 V CG1 . 15973 1
103 . 1 1 9 9 VAL CG2 C 13 17.950 0.2 . 2 . . . . 9 V CG2 . 15973 1
104 . 1 1 10 10 GLY H H 1 7.875 0.01 . 1 . . . . 10 G HN . 15973 1
105 . 1 1 10 10 GLY HA2 H 1 4.196 0.01 . . . . . . 10 G HA1 . 15973 1
106 . 1 1 10 10 GLY HA3 H 1 3.702 0.01 . 2 . . . . 10 G HA2 . 15973 1
107 . 1 1 10 10 GLY CA C 13 41.802 0.2 . 1 . . . . 10 G CA . 15973 1
108 . 1 1 11 11 CYS H H 1 8.204 0.01 . 1 . . . . 11 C HN . 15973 1
109 . 1 1 11 11 CYS HA H 1 4.948 0.01 . 1 . . . . 11 C HA . 15973 1
110 . 1 1 11 11 CYS HB2 H 1 1.565 0.01 . . . . . . 11 C HB1 . 15973 1
111 . 1 1 11 11 CYS HB3 H 1 2.540 0.01 . 2 . . . . 11 C HB2 . 15973 1
112 . 1 1 11 11 CYS CA C 13 52.573 0.2 . 1 . . . . 11 C CA . 15973 1
113 . 1 1 12 12 ASP H H 1 8.049 0.01 . 1 . . . . 12 D HN . 15973 1
114 . 1 1 12 12 ASP HA H 1 4.180 0.01 . 1 . . . . 12 D HA . 15973 1
115 . 1 1 12 12 ASP HB2 H 1 2.365 0.01 . . . . . . 12 D HB# . 15973 1
116 . 1 1 12 12 ASP HB3 H 1 2.365 0.01 . . . . . . 12 D HB# . 15973 1
117 . 1 1 12 12 ASP CA C 13 50.343 0.2 . 1 . . . . 12 D CA . 15973 1
118 . 1 1 12 12 ASP CB C 13 40.437 0.2 . 1 . . . . 12 D CB . 15973 1
119 . 1 1 13 13 TRP H H 1 8.434 0.01 . 1 . . . . 13 W HN . 15973 1
120 . 1 1 13 13 TRP HA H 1 4.980 0.01 . 1 . . . . 13 W HA . 15973 1
121 . 1 1 13 13 TRP HB2 H 1 2.984 0.01 . . . . . . 13 W HB# . 15973 1
122 . 1 1 13 13 TRP HB3 H 1 2.984 0.01 . . . . . . 13 W HB# . 15973 1
123 . 1 1 13 13 TRP HD1 H 1 7.301 0.01 . 1 . . . . 13 W HD1 . 15973 1
124 . 1 1 13 13 TRP HE1 H 1 10.013 0.01 . 1 . . . . 13 W HE1 . 15973 1
125 . 1 1 13 13 TRP HE3 H 1 7.343 0.01 . 1 . . . . 13 W HE3 . 15973 1
126 . 1 1 13 13 TRP HH2 H 1 7.002 0.01 . 1 . . . . 13 W HH2 . 15973 1
127 . 1 1 13 13 TRP HZ2 H 1 7.161 0.01 . 1 . . . . 13 W HZ2 . 15973 1
128 . 1 1 13 13 TRP HZ3 H 1 7.030 0.01 . 1 . . . . 13 W HZ3 . 15973 1
129 . 1 1 13 13 TRP CA C 13 53.564 0.2 . 1 . . . . 13 W CA . 15973 1
130 . 1 1 13 13 TRP CB C 13 27.460 0.2 . 1 . . . . 13 W CB . 15973 1
131 . 1 1 13 13 TRP CD1 C 13 124.884 0.2 . 1 . . . . 13 W CD1 . 15973 1
132 . 1 1 13 13 TRP CE3 C 13 117.848 0.2 . 1 . . . . 13 W CE3 . 15973 1
133 . 1 1 13 13 TRP CH2 C 13 121.768 0.2 . 1 . . . . 13 W CH2 . 15973 1
134 . 1 1 13 13 TRP CZ2 C 13 112.215 0.2 . 1 . . . . 13 W CZ2 . 15973 1
135 . 1 1 13 13 TRP CZ3 C 13 119.419 0.2 . 1 . . . . 13 W CZ3 . 15973 1
136 . 1 1 14 14 VAL H H 1 8.812 0.01 . 1 . . . . 14 V HN . 15973 1
137 . 1 1 14 14 VAL HA H 1 4.235 0.01 . 1 . . . . 14 V HA . 15973 1
138 . 1 1 14 14 VAL HB H 1 1.960 0.01 . 1 . . . . 14 V HB . 15973 1
139 . 1 1 14 14 VAL HG11 H 1 0.840 0.01 . . . . . . 14 V HG1# . 15973 1
140 . 1 1 14 14 VAL HG12 H 1 0.840 0.01 . . . . . . 14 V HG1# . 15973 1
141 . 1 1 14 14 VAL HG13 H 1 0.840 0.01 . . . . . . 14 V HG1# . 15973 1
142 . 1 1 14 14 VAL HG21 H 1 0.785 0.01 . . . . . . 14 V HG2# . 15973 1
143 . 1 1 14 14 VAL HG22 H 1 0.785 0.01 . . . . . . 14 V HG2# . 15973 1
144 . 1 1 14 14 VAL HG23 H 1 0.785 0.01 . . . . . . 14 V HG2# . 15973 1
145 . 1 1 14 14 VAL CA C 13 58.677 0.2 . 1 . . . . 14 V CA . 15973 1
146 . 1 1 14 14 VAL CB C 13 31.494 0.2 . 1 . . . . 14 V CB . 15973 1
147 . 1 1 14 14 VAL CG1 C 13 18.260 0.2 . 2 . . . . 14 V CG1 . 15973 1
148 . 1 1 14 14 VAL CG2 C 13 18.510 0.2 . 2 . . . . 14 V CG2 . 15973 1
149 . 1 1 15 15 LEU H H 1 8.036 0.01 . 1 . . . . 15 L HN . 15973 1
150 . 1 1 15 15 LEU HA H 1 4.035 0.01 . 1 . . . . 15 L HA . 15973 1
151 . 1 1 15 15 LEU HB2 H 1 1.494 0.01 . . . . . . 15 L HB# . 15973 1
152 . 1 1 15 15 LEU HB3 H 1 1.494 0.01 . . . . . . 15 L HB# . 15973 1
153 . 1 1 15 15 LEU HD11 H 1 0.849 0.01 . . . . . . 15 L HD1# . 15973 1
154 . 1 1 15 15 LEU HD12 H 1 0.849 0.01 . . . . . . 15 L HD1# . 15973 1
155 . 1 1 15 15 LEU HD13 H 1 0.849 0.01 . . . . . . 15 L HD1# . 15973 1
156 . 1 1 15 15 LEU HD21 H 1 0.802 0.01 . . . . . . 15 L HD2# . 15973 1
157 . 1 1 15 15 LEU HD22 H 1 0.802 0.01 . . . . . . 15 L HD2# . 15973 1
158 . 1 1 15 15 LEU HD23 H 1 0.802 0.01 . . . . . . 15 L HD2# . 15973 1
159 . 1 1 15 15 LEU HG H 1 1.558 0.01 . 1 . . . . 15 L HG . 15973 1
160 . 1 1 15 15 LEU CA C 13 54.752 0.2 . 1 . . . . 15 L CA . 15973 1
161 . 1 1 15 15 LEU CB C 13 40.222 0.2 . 1 . . . . 15 L CB . 15973 1
162 . 1 1 15 15 LEU CD1 C 13 22.337 0.2 . 2 . . . . 15 L CD1 . 15973 1
163 . 1 1 15 15 LEU CD2 C 13 21.132 0.2 . 2 . . . . 15 L CD2 . 15973 1
164 . 1 1 15 15 LEU CG C 13 24.800 0.2 . 1 . . . . 15 L CG . 15973 1
stop_
save_