Content for NMR-STAR saveframe, "R642S_gH626-644_chem_shift_list_1"
save_R642S_gH626-644_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode R642S_gH626-644_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 15648
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $R642S_gH626-644_conditions
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $R642S_gH626-644_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 '2D 1H-1H TOCSY' . . . 15648 1
2 '2D DQF-COSY' . . . 15648 1
3 '2D 1H-1H NOESY' . . . 15648 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 $XEASY . . 15648 1
2 $CYANA . . 15648 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 GLY HA2 H 1 4.000 0.004 . . . . . . 1 G HA1 . 15648 1
2 . 1 1 1 1 GLY HA3 H 1 3.863 0.005 . 2 . . . . 1 G HA2 . 15648 1
3 . 1 1 2 2 LEU H H 1 8.543 0.002 . 1 . . . . 2 L HN . 15648 1
4 . 1 1 2 2 LEU HA H 1 4.207 0.004 . 1 . . . . 2 L HA . 15648 1
5 . 1 1 2 2 LEU HB2 H 1 1.717 0.000 . 2 . . . . 2 L QB . 15648 1
6 . 1 1 2 2 LEU HB3 H 1 1.717 0.000 . 2 . . . . 2 L QB . 15648 1
7 . 1 1 2 2 LEU HD11 H 1 0.968 0.000 . . . . . . 2 L QQD . 15648 1
8 . 1 1 2 2 LEU HD12 H 1 0.968 0.000 . . . . . . 2 L QQD . 15648 1
9 . 1 1 2 2 LEU HD13 H 1 0.968 0.000 . . . . . . 2 L QQD . 15648 1
10 . 1 1 2 2 LEU HD21 H 1 0.968 0.000 . . . . . . 2 L QQD . 15648 1
11 . 1 1 2 2 LEU HD22 H 1 0.968 0.000 . . . . . . 2 L QQD . 15648 1
12 . 1 1 2 2 LEU HD23 H 1 0.968 0.000 . . . . . . 2 L QQD . 15648 1
13 . 1 1 2 2 LEU HG H 1 1.663 0.006 . 1 . . . . 2 L HG . 15648 1
14 . 1 1 3 3 ALA H H 1 8.284 0.002 . 1 . . . . 3 A HN . 15648 1
15 . 1 1 3 3 ALA HA H 1 4.154 0.000 . 1 . . . . 3 A HA . 15648 1
16 . 1 1 3 3 ALA HB1 H 1 1.478 0.000 . . . . . . 3 A QB . 15648 1
17 . 1 1 3 3 ALA HB2 H 1 1.478 0.000 . . . . . . 3 A QB . 15648 1
18 . 1 1 3 3 ALA HB3 H 1 1.478 0.000 . . . . . . 3 A QB . 15648 1
19 . 1 1 4 4 SER H H 1 8.226 0.004 . 1 . . . . 4 S HN . 15648 1
20 . 1 1 4 4 SER HA H 1 4.200 0.003 . 1 . . . . 4 S HA . 15648 1
21 . 1 1 4 4 SER HB2 H 1 4.049 0.000 . 2 . . . . 4 S HB2 . 15648 1
22 . 1 1 4 4 SER HB3 H 1 3.966 0.002 . 2 . . . . 4 S HB3 . 15648 1
23 . 1 1 5 5 THR H H 1 7.840 0.002 . 1 . . . . 5 T HN . 15648 1
24 . 1 1 5 5 THR HA H 1 4.036 0.003 . 1 . . . . 5 T HA . 15648 1
25 . 1 1 5 5 THR HB H 1 4.342 0.003 . 1 . . . . 5 T HB . 15648 1
26 . 1 1 5 5 THR HG21 H 1 1.211 0.000 . . . . . . 5 T QG2 . 15648 1
27 . 1 1 5 5 THR HG22 H 1 1.211 0.000 . . . . . . 5 T QG2 . 15648 1
28 . 1 1 5 5 THR HG23 H 1 1.211 0.000 . . . . . . 5 T QG2 . 15648 1
29 . 1 1 6 6 LEU H H 1 8.492 0.002 . 1 . . . . 6 L HN . 15648 1
30 . 1 1 6 6 LEU HA H 1 4.293 0.000 . 1 . . . . 6 L HA . 15648 1
31 . 1 1 6 6 LEU HB2 H 1 1.866 0.000 . 2 . . . . 6 L QB . 15648 1
32 . 1 1 6 6 LEU HB3 H 1 1.866 0.000 . 2 . . . . 6 L QB . 15648 1
33 . 1 1 6 6 LEU HD11 H 1 0.951 0.000 . . . . . . 6 L QD1 . 15648 1
34 . 1 1 6 6 LEU HD12 H 1 0.951 0.000 . . . . . . 6 L QD1 . 15648 1
35 . 1 1 6 6 LEU HD13 H 1 0.951 0.000 . . . . . . 6 L QD1 . 15648 1
36 . 1 1 6 6 LEU HD21 H 1 0.893 0.000 . . . . . . 6 L QD2 . 15648 1
37 . 1 1 6 6 LEU HD22 H 1 0.893 0.000 . . . . . . 6 L QD2 . 15648 1
38 . 1 1 6 6 LEU HD23 H 1 0.893 0.000 . . . . . . 6 L QD2 . 15648 1
39 . 1 1 6 6 LEU HG H 1 1.701 0.000 . 1 . . . . 6 L HG . 15648 1
40 . 1 1 7 7 THR H H 1 8.035 0.001 . 1 . . . . 7 T HN . 15648 1
41 . 1 1 7 7 THR HA H 1 4.091 0.003 . 1 . . . . 7 T HA . 15648 1
42 . 1 1 7 7 THR HB H 1 4.322 0.003 . 1 . . . . 7 T HB . 15648 1
43 . 1 1 7 7 THR HG21 H 1 1.318 0.000 . . . . . . 7 T QG2 . 15648 1
44 . 1 1 7 7 THR HG22 H 1 1.318 0.000 . . . . . . 7 T QG2 . 15648 1
45 . 1 1 7 7 THR HG23 H 1 1.318 0.000 . . . . . . 7 T QG2 . 15648 1
46 . 1 1 8 8 ARG H H 1 7.921 0.001 . 1 . . . . 8 R HN . 15648 1
47 . 1 1 8 8 ARG HA H 1 4.105 0.003 . 1 . . . . 8 R HA . 15648 1
48 . 1 1 8 8 ARG HB2 H 1 2.034 0.006 . 2 . . . . 8 R QB . 15648 1
49 . 1 1 8 8 ARG HB3 H 1 2.034 0.006 . 2 . . . . 8 R QB . 15648 1
50 . 1 1 8 8 ARG HD2 H 1 3.205 0.023 . 2 . . . . 8 R QD . 15648 1
51 . 1 1 8 8 ARG HD3 H 1 3.205 0.023 . 2 . . . . 8 R QD . 15648 1
52 . 1 1 8 8 ARG HE H 1 6.958 0.005 . 1 . . . . 8 R HE . 15648 1
53 . 1 1 8 8 ARG HG2 H 1 1.802 0.005 . 2 . . . . 8 R HG2 . 15648 1
54 . 1 1 8 8 ARG HG3 H 1 1.603 0.004 . 2 . . . . 8 R HG3 . 15648 1
55 . 1 1 9 9 TRP H H 1 8.421 0.004 . 1 . . . . 9 W HN . 15648 1
56 . 1 1 9 9 TRP HA H 1 4.511 0.005 . 1 . . . . 9 W HA . 15648 1
57 . 1 1 9 9 TRP HB2 H 1 3.565 0.006 . 2 . . . . 9 W HB2 . 15648 1
58 . 1 1 9 9 TRP HB3 H 1 3.420 0.005 . 2 . . . . 9 W HB3 . 15648 1
59 . 1 1 9 9 TRP HD1 H 1 7.181 0.007 . 1 . . . . 9 W HD1 . 15648 1
60 . 1 1 9 9 TRP HE1 H 1 9.540 0.003 . 1 . . . . 9 W HE1 . 15648 1
61 . 1 1 9 9 TRP HE3 H 1 7.630 0.001 . 1 . . . . 9 W HE3 . 15648 1
62 . 1 1 9 9 TRP HH2 H 1 7.203 0.002 . 1 . . . . 9 W HH2 . 15648 1
63 . 1 1 9 9 TRP HZ2 H 1 7.431 0.005 . 1 . . . . 9 W HZ2 . 15648 1
64 . 1 1 9 9 TRP HZ3 H 1 7.060 0.002 . 1 . . . . 9 W HZ3 . 15648 1
65 . 1 1 10 10 ALA H H 1 8.834 0.002 . 1 . . . . 10 A HN . 15648 1
66 . 1 1 10 10 ALA HA H 1 3.937 0.008 . 1 . . . . 10 A HA . 15648 1
67 . 1 1 10 10 ALA HB1 H 1 1.535 0.003 . . . . . . 10 A QB . 15648 1
68 . 1 1 10 10 ALA HB2 H 1 1.535 0.003 . . . . . . 10 A QB . 15648 1
69 . 1 1 10 10 ALA HB3 H 1 1.535 0.003 . . . . . . 10 A QB . 15648 1
70 . 1 1 11 11 HIS H H 1 7.981 0.002 . 1 . . . . 11 H HN . 15648 1
71 . 1 1 11 11 HIS HA H 1 4.331 0.000 . 1 . . . . 11 H HA . 15648 1
72 . 1 1 11 11 HIS HB2 H 1 3.315 0.003 . 2 . . . . 11 H QB . 15648 1
73 . 1 1 11 11 HIS HB3 H 1 3.315 0.003 . 2 . . . . 11 H QB . 15648 1
74 . 1 1 11 11 HIS HD1 H 1 8.403 0.000 . 1 . . . . 11 H HD1 . 15648 1
75 . 1 1 11 11 HIS HD2 H 1 7.222 0.004 . 1 . . . . 11 H HD2 . 15648 1
76 . 1 1 11 11 HIS HE1 H 1 8.105 0.512 . 1 . . . . 11 H HE1 . 15648 1
77 . 1 1 12 12 TYR H H 1 8.380 0.002 . 1 . . . . 12 Y HN . 15648 1
78 . 1 1 12 12 TYR HA H 1 4.305 0.004 . 1 . . . . 12 Y HA . 15648 1
79 . 1 1 12 12 TYR HB2 H 1 3.109 0.005 . 2 . . . . 12 Y QB . 15648 1
80 . 1 1 12 12 TYR HB3 H 1 3.109 0.005 . 2 . . . . 12 Y QB . 15648 1
81 . 1 1 12 12 TYR HD1 H 1 7.036 0.008 . 3 . . . . 12 Y QD . 15648 1
82 . 1 1 12 12 TYR HD2 H 1 7.036 0.008 . 3 . . . . 12 Y QD . 15648 1
83 . 1 1 12 12 TYR HE1 H 1 6.776 0.004 . 3 . . . . 12 Y QE . 15648 1
84 . 1 1 12 12 TYR HE2 H 1 6.776 0.004 . 3 . . . . 12 Y QE . 15648 1
85 . 1 1 13 13 ASN H H 1 8.137 0.001 . 1 . . . . 13 N HN . 15648 1
86 . 1 1 13 13 ASN HA H 1 4.204 0.003 . 1 . . . . 13 N HA . 15648 1
87 . 1 1 13 13 ASN HB2 H 1 2.377 0.006 . 2 . . . . 13 N QB . 15648 1
88 . 1 1 13 13 ASN HB3 H 1 2.377 0.006 . 2 . . . . 13 N QB . 15648 1
89 . 1 1 13 13 ASN HD21 H 1 6.627 0.004 . 2 . . . . 13 N HD21 . 15648 1
90 . 1 1 13 13 ASN HD22 H 1 5.348 0.000 . 2 . . . . 13 N HD22 . 15648 1
91 . 1 1 14 14 ALA H H 1 7.792 0.002 . 1 . . . . 14 A HN . 15648 1
92 . 1 1 14 14 ALA HA H 1 4.046 0.000 . 1 . . . . 14 A HA . 15648 1
93 . 1 1 14 14 ALA HB1 H 1 1.446 0.000 . . . . . . 14 A QB . 15648 1
94 . 1 1 14 14 ALA HB2 H 1 1.446 0.000 . . . . . . 14 A QB . 15648 1
95 . 1 1 14 14 ALA HB3 H 1 1.446 0.000 . . . . . . 14 A QB . 15648 1
96 . 1 1 15 15 LEU H H 1 7.701 0.004 . 1 . . . . 15 L HN . 15648 1
97 . 1 1 15 15 LEU HA H 1 4.134 0.002 . 1 . . . . 15 L HA . 15648 1
98 . 1 1 15 15 LEU HB2 H 1 1.783 0.005 . 2 . . . . 15 L QB . 15648 1
99 . 1 1 15 15 LEU HB3 H 1 1.783 0.005 . 2 . . . . 15 L QB . 15648 1
100 . 1 1 15 15 LEU HD11 H 1 0.886 0.000 . . . . . . 15 L QQD . 15648 1
101 . 1 1 15 15 LEU HD12 H 1 0.886 0.000 . . . . . . 15 L QQD . 15648 1
102 . 1 1 15 15 LEU HD13 H 1 0.886 0.000 . . . . . . 15 L QQD . 15648 1
103 . 1 1 15 15 LEU HD21 H 1 0.886 0.000 . . . . . . 15 L QQD . 15648 1
104 . 1 1 15 15 LEU HD22 H 1 0.886 0.000 . . . . . . 15 L QQD . 15648 1
105 . 1 1 15 15 LEU HD23 H 1 0.886 0.000 . . . . . . 15 L QQD . 15648 1
106 . 1 1 15 15 LEU HG H 1 1.674 0.004 . 1 . . . . 15 L HG . 15648 1
107 . 1 1 16 16 ILE H H 1 7.697 0.006 . 1 . . . . 16 I HN . 15648 1
108 . 1 1 16 16 ILE HA H 1 3.997 0.000 . 1 . . . . 16 I HA . 15648 1
109 . 1 1 16 16 ILE HB H 1 1.861 0.003 . 1 . . . . 16 I HB . 15648 1
110 . 1 1 16 16 ILE HD11 H 1 0.742 0.000 . . . . . . 16 I QD1 . 15648 1
111 . 1 1 16 16 ILE HD12 H 1 0.742 0.000 . . . . . . 16 I QD1 . 15648 1
112 . 1 1 16 16 ILE HD13 H 1 0.742 0.000 . . . . . . 16 I QD1 . 15648 1
113 . 1 1 16 16 ILE HG12 H 1 1.340 0.000 . 2 . . . . 16 I HG12 . 15648 1
114 . 1 1 16 16 ILE HG13 H 1 1.177 0.016 . 2 . . . . 16 I HG13 . 15648 1
115 . 1 1 16 16 ILE HG21 H 1 0.811 0.000 . . . . . . 16 I QG2 . 15648 1
116 . 1 1 16 16 ILE HG22 H 1 0.811 0.000 . . . . . . 16 I QG2 . 15648 1
117 . 1 1 16 16 ILE HG23 H 1 0.811 0.000 . . . . . . 16 I QG2 . 15648 1
118 . 1 1 17 17 SER H H 1 7.634 0.000 . 1 . . . . 17 S HN . 15648 1
119 . 1 1 17 17 SER HA H 1 4.351 0.004 . 1 . . . . 17 S HA . 15648 1
120 . 1 1 17 17 SER HB2 H 1 3.949 0.005 . 2 . . . . 17 S QB . 15648 1
121 . 1 1 17 17 SER HB3 H 1 3.949 0.005 . 2 . . . . 17 S QB . 15648 1
122 . 1 1 18 18 ALA H H 1 7.573 0.002 . 1 . . . . 18 A HN . 15648 1
123 . 1 1 18 18 ALA HA H 1 4.273 0.003 . 1 . . . . 18 A HA . 15648 1
124 . 1 1 18 18 ALA HB1 H 1 1.328 0.003 . . . . . . 18 A QB . 15648 1
125 . 1 1 18 18 ALA HB2 H 1 1.328 0.003 . . . . . . 18 A QB . 15648 1
126 . 1 1 18 18 ALA HB3 H 1 1.328 0.003 . . . . . . 18 A QB . 15648 1
127 . 1 1 19 19 PHE H H 1 7.601 0.005 . 1 . . . . 19 F HN . 15648 1
128 . 1 1 19 19 PHE HA H 1 4.651 0.007 . 1 . . . . 19 F HA . 15648 1
129 . 1 1 19 19 PHE HB2 H 1 3.220 0.008 . 2 . . . . 19 F HB2 . 15648 1
130 . 1 1 19 19 PHE HB3 H 1 3.086 0.001 . 2 . . . . 19 F HB3 . 15648 1
131 . 1 1 19 19 PHE HD1 H 1 7.277 0.003 . 3 . . . . 19 F QD . 15648 1
132 . 1 1 19 19 PHE HD2 H 1 7.277 0.003 . 3 . . . . 19 F QD . 15648 1
133 . 1 1 19 19 PHE HE1 H 1 7.225 0.004 . 3 . . . . 19 F QE . 15648 1
134 . 1 1 19 19 PHE HE2 H 1 7.225 0.004 . 3 . . . . 19 F QE . 15648 1
135 . 1 1 19 19 PHE HZ H 1 7.225 0.002 . 1 . . . . 19 F HZ . 15648 1
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save_