Content for NMR-STAR saveframe, "HEV32_shfit"
save_HEV32_shfit
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode HEV32_shfit
_Assigned_chem_shift_list.Entry_ID 6123
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions-1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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
;
An unassigned signal at 7.018 ppm was observed that may correspond protonated
LYS10 (proton in position Z)
The atom HG2 of GLN 20 shows up at 0.728 ppm (not in average range) due to near
by TRP 21 which shifts it highfield
;
_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 $sample-1 . 6123 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 GLU HA H 1 2.424 0.02 . 1 . . . . . . . . 6123 1
2 . 1 1 1 1 GLU HB2 H 1 1.587 0.005 . 1 . . . . . . . . 6123 1
3 . 1 1 1 1 GLU HB3 H 1 1.960 0.002 . 1 . . . . . . . . 6123 1
4 . 1 1 1 1 GLU HG2 H 1 1.881 0.002 . 1 . . . . . . . . 6123 1
5 . 1 1 1 1 GLU HG3 H 1 2.499 0.001 . 1 . . . . . . . . 6123 1
6 . 1 1 2 2 GLN HA H 1 4.321 0.002 . 1 . . . . . . . . 6123 1
7 . 1 1 2 2 GLN HB2 H 1 1.903 0.005 . 1 . . . . . . . . 6123 1
8 . 1 1 2 2 GLN HB3 H 1 1.982 0.005 . 1 . . . . . . . . 6123 1
9 . 1 1 2 2 GLN HG2 H 1 2.201 0.02 . 1 . . . . . . . . 6123 1
10 . 1 1 2 2 GLN HE21 H 1 6.939 0.02 . 1 . . . . . . . . 6123 1
11 . 1 1 2 2 GLN HE22 H 1 7.531 0.02 . 1 . . . . . . . . 6123 1
12 . 1 1 3 3 CYS H H 1 7.910 0.02 . 1 . . . . . . . . 6123 1
13 . 1 1 3 3 CYS HA H 1 4.815 0.001 . 1 . . . . . . . . 6123 1
14 . 1 1 3 3 CYS HB2 H 1 2.725 0.002 . 1 . . . . . . . . 6123 1
15 . 1 1 3 3 CYS HB3 H 1 3.039 0.003 . 1 . . . . . . . . 6123 1
16 . 1 1 4 4 GLY H H 1 8.495 0.002 . 1 . . . . . . . . 6123 1
17 . 1 1 4 4 GLY HA2 H 1 3.827 0.002 . 1 . . . . . . . . 6123 1
18 . 1 1 4 4 GLY HA3 H 1 4.110 0.004 . 1 . . . . . . . . 6123 1
19 . 1 1 5 5 ARG H H 1 8.883 0.02 . 1 . . . . . . . . 6123 1
20 . 1 1 5 5 ARG HA H 1 3.966 0.004 . 1 . . . . . . . . 6123 1
21 . 1 1 5 5 ARG HB2 H 1 1.749 0.005 . 1 . . . . . . . . 6123 1
22 . 1 1 5 5 ARG HB3 H 1 1.830 0.004 . 1 . . . . . . . . 6123 1
23 . 1 1 5 5 ARG HG2 H 1 1.587 0.006 . 1 . . . . . . . . 6123 1
24 . 1 1 5 5 ARG HD2 H 1 3.178 0.007 . 1 . . . . . . . . 6123 1
25 . 1 1 5 5 ARG HE H 1 7.235 0.005 . 1 . . . . . . . . 6123 1
26 . 1 1 6 6 GLN H H 1 8.977 0.001 . 1 . . . . . . . . 6123 1
27 . 1 1 6 6 GLN HA H 1 4.192 0.002 . 1 . . . . . . . . 6123 1
28 . 1 1 6 6 GLN HB2 H 1 1.936 0.005 . 1 . . . . . . . . 6123 1
29 . 1 1 6 6 GLN HB3 H 1 2.056 0.003 . 1 . . . . . . . . 6123 1
30 . 1 1 6 6 GLN HG2 H 1 2.428 0.003 . 1 . . . . . . . . 6123 1
31 . 1 1 6 6 GLN HG3 H 1 2.620 0.004 . 1 . . . . . . . . 6123 1
32 . 1 1 6 6 GLN HE21 H 1 6.626 0.004 . 1 . . . . . . . . 6123 1
33 . 1 1 6 6 GLN HE22 H 1 7.633 0.002 . 1 . . . . . . . . 6123 1
34 . 1 1 7 7 ALA H H 1 7.627 0.004 . 1 . . . . . . . . 6123 1
35 . 1 1 7 7 ALA HA H 1 4.540 0.004 . 1 . . . . . . . . 6123 1
36 . 1 1 7 7 ALA HB1 H 1 0.826 0.002 . 1 . . . . . . . . 6123 1
37 . 1 1 7 7 ALA HB2 H 1 0.826 0.002 . 1 . . . . . . . . 6123 1
38 . 1 1 7 7 ALA HB3 H 1 0.826 0.002 . 1 . . . . . . . . 6123 1
39 . 1 1 8 8 GLY H H 1 8.044 0.001 . 1 . . . . . . . . 6123 1
40 . 1 1 8 8 GLY HA2 H 1 3.849 0.003 . 1 . . . . . . . . 6123 1
41 . 1 1 8 8 GLY HA3 H 1 3.860 0.003 . 1 . . . . . . . . 6123 1
42 . 1 1 9 9 GLY H H 1 8.298 0.001 . 1 . . . . . . . . 6123 1
43 . 1 1 9 9 GLY HA2 H 1 3.372 0.002 . 1 . . . . . . . . 6123 1
44 . 1 1 9 9 GLY HA3 H 1 4.043 0.001 . 1 . . . . . . . . 6123 1
45 . 1 1 10 10 LYS H H 1 6.941 0.002 . 1 . . . . . . . . 6123 1
46 . 1 1 10 10 LYS HA H 1 4.059 0.003 . 1 . . . . . . . . 6123 1
47 . 1 1 10 10 LYS HB2 H 1 1.774 0.005 . 1 . . . . . . . . 6123 1
48 . 1 1 10 10 LYS HG2 H 1 1.564 0.003 . 1 . . . . . . . . 6123 1
49 . 1 1 10 10 LYS HG3 H 1 1.611 0.02 . 1 . . . . . . . . 6123 1
50 . 1 1 10 10 LYS HD2 H 1 1.724 0.002 . 1 . . . . . . . . 6123 1
51 . 1 1 10 10 LYS HE2 H 1 3.026 0.003 . 1 . . . . . . . . 6123 1
52 . 1 1 10 10 LYS HZ1 H 1 6.751 0.02 . 1 . . . . . . . . 6123 1
53 . 1 1 10 10 LYS HZ2 H 1 6.751 0.02 . 1 . . . . . . . . 6123 1
54 . 1 1 10 10 LYS HZ3 H 1 6.751 0.02 . 1 . . . . . . . . 6123 1
55 . 1 1 11 11 LEU H H 1 8.391 0.004 . 1 . . . . . . . . 6123 1
56 . 1 1 11 11 LEU HA H 1 4.597 0.007 . 1 . . . . . . . . 6123 1
57 . 1 1 11 11 LEU HB2 H 1 1.641 0.003 . 1 . . . . . . . . 6123 1
58 . 1 1 11 11 LEU HD11 H 1 0.911 0.002 . 1 . . . . . . . . 6123 1
59 . 1 1 11 11 LEU HD12 H 1 0.911 0.002 . 1 . . . . . . . . 6123 1
60 . 1 1 11 11 LEU HD13 H 1 0.911 0.002 . 1 . . . . . . . . 6123 1
61 . 1 1 11 11 LEU HD21 H 1 0.964 0.002 . 1 . . . . . . . . 6123 1
62 . 1 1 11 11 LEU HD22 H 1 0.964 0.002 . 1 . . . . . . . . 6123 1
63 . 1 1 11 11 LEU HD23 H 1 0.964 0.002 . 1 . . . . . . . . 6123 1
64 . 1 1 11 11 LEU HG H 1 1.789 0.006 . 1 . . . . . . . . 6123 1
65 . 1 1 12 12 CYS H H 1 9.094 0.001 . 1 . . . . . . . . 6123 1
66 . 1 1 12 12 CYS HA H 1 4.705 0.003 . 1 . . . . . . . . 6123 1
67 . 1 1 12 12 CYS HB2 H 1 2.676 0.004 . 1 . . . . . . . . 6123 1
68 . 1 1 12 12 CYS HB3 H 1 2.836 0.002 . 1 . . . . . . . . 6123 1
69 . 1 1 13 13 PRO HA H 1 4.619 0.006 . 1 . . . . . . . . 6123 1
70 . 1 1 13 13 PRO HB2 H 1 1.919 0.005 . 1 . . . . . . . . 6123 1
71 . 1 1 13 13 PRO HB3 H 1 2.290 0.001 . 1 . . . . . . . . 6123 1
72 . 1 1 13 13 PRO HG2 H 1 1.972 0.001 . 1 . . . . . . . . 6123 1
73 . 1 1 13 13 PRO HG3 H 1 2.092 0.001 . 1 . . . . . . . . 6123 1
74 . 1 1 13 13 PRO HD2 H 1 3.613 0.004 . 1 . . . . . . . . 6123 1
75 . 1 1 13 13 PRO HD3 H 1 3.837 0.004 . 1 . . . . . . . . 6123 1
76 . 1 1 14 14 ASN H H 1 8.731 0.001 . 1 . . . . . . . . 6123 1
77 . 1 1 14 14 ASN HA H 1 4.296 0.005 . 1 . . . . . . . . 6123 1
78 . 1 1 14 14 ASN HB2 H 1 2.623 0.003 . 1 . . . . . . . . 6123 1
79 . 1 1 14 14 ASN HB3 H 1 2.904 0.003 . 1 . . . . . . . . 6123 1
80 . 1 1 14 14 ASN HD21 H 1 6.893 0.02 . 1 . . . . . . . . 6123 1
81 . 1 1 14 14 ASN HD22 H 1 7.500 0.02 . 1 . . . . . . . . 6123 1
82 . 1 1 15 15 ASN H H 1 8.677 0.003 . 1 . . . . . . . . 6123 1
83 . 1 1 15 15 ASN HA H 1 4.427 0.004 . 1 . . . . . . . . 6123 1
84 . 1 1 15 15 ASN HB2 H 1 2.881 0.004 . 1 . . . . . . . . 6123 1
85 . 1 1 15 15 ASN HB3 H 1 3.003 0.005 . 1 . . . . . . . . 6123 1
86 . 1 1 15 15 ASN HD21 H 1 6.878 0.003 . 1 . . . . . . . . 6123 1
87 . 1 1 15 15 ASN HD22 H 1 7.579 0.02 . 1 . . . . . . . . 6123 1
88 . 1 1 16 16 LEU H H 1 7.675 0.002 . 1 . . . . . . . . 6123 1
89 . 1 1 16 16 LEU HA H 1 4.295 0.002 . 1 . . . . . . . . 6123 1
90 . 1 1 16 16 LEU HB2 H 1 1.330 0.002 . 1 . . . . . . . . 6123 1
91 . 1 1 16 16 LEU HB3 H 1 1.757 0.001 . 1 . . . . . . . . 6123 1
92 . 1 1 16 16 LEU HD11 H 1 0.699 0.004 . 1 . . . . . . . . 6123 1
93 . 1 1 16 16 LEU HD12 H 1 0.699 0.004 . 1 . . . . . . . . 6123 1
94 . 1 1 16 16 LEU HD13 H 1 0.699 0.004 . 1 . . . . . . . . 6123 1
95 . 1 1 16 16 LEU HD21 H 1 0.791 0.002 . 1 . . . . . . . . 6123 1
96 . 1 1 16 16 LEU HD22 H 1 0.791 0.002 . 1 . . . . . . . . 6123 1
97 . 1 1 16 16 LEU HD23 H 1 0.791 0.002 . 1 . . . . . . . . 6123 1
98 . 1 1 16 16 LEU HG H 1 1.681 0.002 . 1 . . . . . . . . 6123 1
99 . 1 1 17 17 CYS H H 1 8.650 0.003 . 1 . . . . . . . . 6123 1
100 . 1 1 17 17 CYS HA H 1 4.419 0.002 . 1 . . . . . . . . 6123 1
101 . 1 1 17 17 CYS HB2 H 1 2.856 0.002 . 1 . . . . . . . . 6123 1
102 . 1 1 17 17 CYS HB3 H 1 3.742 0.003 . 1 . . . . . . . . 6123 1
103 . 1 1 18 18 CYS H H 1 8.838 0.002 . 1 . . . . . . . . 6123 1
104 . 1 1 18 18 CYS HA H 1 5.123 0.002 . 1 . . . . . . . . 6123 1
105 . 1 1 18 18 CYS HB2 H 1 2.978 0.003 . 1 . . . . . . . . 6123 1
106 . 1 1 18 18 CYS HB3 H 1 3.202 0.003 . 1 . . . . . . . . 6123 1
107 . 1 1 19 19 SER H H 1 9.971 0.001 . 1 . . . . . . . . 6123 1
108 . 1 1 19 19 SER HA H 1 5.158 0.002 . 1 . . . . . . . . 6123 1
109 . 1 1 19 19 SER HB2 H 1 4.565 0.001 . 1 . . . . . . . . 6123 1
110 . 1 1 19 19 SER HB3 H 1 4.666 0.004 . 1 . . . . . . . . 6123 1
111 . 1 1 20 20 GLN H H 1 9.168 0.003 . 1 . . . . . . . . 6123 1
112 . 1 1 20 20 GLN HA H 1 4.106 0.008 . 1 . . . . . . . . 6123 1
113 . 1 1 20 20 GLN HB2 H 1 1.416 0.008 . 1 . . . . . . . . 6123 1
114 . 1 1 20 20 GLN HB3 H 1 1.582 0.002 . 1 . . . . . . . . 6123 1
115 . 1 1 20 20 GLN HG2 H 1 0.728 0.003 . 1 . . . . . . . . 6123 1
116 . 1 1 20 20 GLN HG3 H 1 1.335 0.003 . 1 . . . . . . . . 6123 1
117 . 1 1 20 20 GLN HE21 H 1 7.154 0.02 . 1 . . . . . . . . 6123 1
118 . 1 1 20 20 GLN HE22 H 1 7.508 0.001 . 1 . . . . . . . . 6123 1
119 . 1 1 21 21 TRP H H 1 7.768 0.003 . 1 . . . . . . . . 6123 1
120 . 1 1 21 21 TRP HA H 1 4.726 0.001 . 1 . . . . . . . . 6123 1
121 . 1 1 21 21 TRP HB2 H 1 3.202 0.003 . 1 . . . . . . . . 6123 1
122 . 1 1 21 21 TRP HB3 H 1 3.782 0.007 . 1 . . . . . . . . 6123 1
123 . 1 1 21 21 TRP HD1 H 1 7.266 0.002 . 1 . . . . . . . . 6123 1
124 . 1 1 21 21 TRP HE1 H 1 10.353 0.005 . 1 . . . . . . . . 6123 1
125 . 1 1 21 21 TRP HE3 H 1 7.651 0.006 . 1 . . . . . . . . 6123 1
126 . 1 1 21 21 TRP HZ2 H 1 7.478 0.001 . 1 . . . . . . . . 6123 1
127 . 1 1 21 21 TRP HZ3 H 1 7.240 0.003 . 1 . . . . . . . . 6123 1
128 . 1 1 21 21 TRP HH2 H 1 7.267 0.002 . 1 . . . . . . . . 6123 1
129 . 1 1 22 22 GLY H H 1 7.965 0.002 . 1 . . . . . . . . 6123 1
130 . 1 1 22 22 GLY HA2 H 1 3.726 0.002 . 1 . . . . . . . . 6123 1
131 . 1 1 22 22 GLY HA3 H 1 3.866 0.001 . 1 . . . . . . . . 6123 1
132 . 1 1 23 23 TRP H H 1 7.521 0.002 . 1 . . . . . . . . 6123 1
133 . 1 1 23 23 TRP HA H 1 5.148 0.005 . 1 . . . . . . . . 6123 1
134 . 1 1 23 23 TRP HB2 H 1 3.288 0.004 . 1 . . . . . . . . 6123 1
135 . 1 1 23 23 TRP HB3 H 1 3.752 0.003 . 1 . . . . . . . . 6123 1
136 . 1 1 23 23 TRP HD1 H 1 7.206 0.003 . 1 . . . . . . . . 6123 1
137 . 1 1 23 23 TRP HE1 H 1 10.485 0.007 . 1 . . . . . . . . 6123 1
138 . 1 1 23 23 TRP HE3 H 1 7.894 0.002 . 1 . . . . . . . . 6123 1
139 . 1 1 23 23 TRP HZ2 H 1 7.592 0.005 . 1 . . . . . . . . 6123 1
140 . 1 1 23 23 TRP HZ3 H 1 7.268 0.001 . 1 . . . . . . . . 6123 1
141 . 1 1 23 23 TRP HH2 H 1 7.356 0.003 . 1 . . . . . . . . 6123 1
142 . 1 1 24 24 CYS H H 1 8.774 0.002 . 1 . . . . . . . . 6123 1
143 . 1 1 24 24 CYS HA H 1 5.916 0.003 . 1 . . . . . . . . 6123 1
144 . 1 1 24 24 CYS HB2 H 1 2.807 0.008 . 1 . . . . . . . . 6123 1
145 . 1 1 24 24 CYS HB3 H 1 3.036 0.003 . 1 . . . . . . . . 6123 1
146 . 1 1 25 25 GLY H H 1 9.169 0.001 . 1 . . . . . . . . 6123 1
147 . 1 1 25 25 GLY HA2 H 1 2.006 0.002 . 1 . . . . . . . . 6123 1
148 . 1 1 25 25 GLY HA3 H 1 3.743 0.004 . 1 . . . . . . . . 6123 1
149 . 1 1 26 26 SER H H 1 8.978 0.002 . 1 . . . . . . . . 6123 1
150 . 1 1 26 26 SER HA H 1 5.076 0.004 . 1 . . . . . . . . 6123 1
151 . 1 1 26 26 SER HB2 H 1 3.650 0.004 . 1 . . . . . . . . 6123 1
152 . 1 1 26 26 SER HB3 H 1 4.056 0.005 . 1 . . . . . . . . 6123 1
153 . 1 1 27 27 THR H H 1 7.144 0.002 . 1 . . . . . . . . 6123 1
154 . 1 1 27 27 THR HA H 1 4.770 0.005 . 1 . . . . . . . . 6123 1
155 . 1 1 27 27 THR HB H 1 4.919 0.005 . 1 . . . . . . . . 6123 1
156 . 1 1 27 27 THR HG21 H 1 1.414 0.004 . 1 . . . . . . . . 6123 1
157 . 1 1 27 27 THR HG22 H 1 1.414 0.004 . 1 . . . . . . . . 6123 1
158 . 1 1 27 27 THR HG23 H 1 1.414 0.004 . 1 . . . . . . . . 6123 1
159 . 1 1 28 28 ASP H H 1 9.119 0.002 . 1 . . . . . . . . 6123 1
160 . 1 1 28 28 ASP HA H 1 4.380 0.002 . 1 . . . . . . . . 6123 1
161 . 1 1 28 28 ASP HB2 H 1 2.755 0.001 . 1 . . . . . . . . 6123 1
162 . 1 1 29 29 GLU H H 1 8.728 0.004 . 1 . . . . . . . . 6123 1
163 . 1 1 29 29 GLU HA H 1 4.161 0.001 . 1 . . . . . . . . 6123 1
164 . 1 1 29 29 GLU HB2 H 1 1.837 0.003 . 1 . . . . . . . . 6123 1
165 . 1 1 29 29 GLU HG2 H 1 2.213 0.006 . 1 . . . . . . . . 6123 1
166 . 1 1 29 29 GLU HG3 H 1 2.219 0.02 . 1 . . . . . . . . 6123 1
167 . 1 1 30 30 TYR H H 1 7.899 0.004 . 1 . . . . . . . . 6123 1
168 . 1 1 30 30 TYR HA H 1 4.154 0.003 . 1 . . . . . . . . 6123 1
169 . 1 1 30 30 TYR HB2 H 1 2.978 0.003 . 1 . . . . . . . . 6123 1
170 . 1 1 30 30 TYR HB3 H 1 3.049 0.008 . 1 . . . . . . . . 6123 1
171 . 1 1 30 30 TYR HD1 H 1 7.522 0.001 . 2 . . . . . . . . 6123 1
172 . 1 1 30 30 TYR HE1 H 1 6.740 0.001 . 2 . . . . . . . . 6123 1
173 . 1 1 31 31 CYS H H 1 7.962 0.001 . 1 . . . . . . . . 6123 1
174 . 1 1 31 31 CYS HA H 1 4.576 0.002 . 1 . . . . . . . . 6123 1
175 . 1 1 31 31 CYS HB2 H 1 2.895 0.001 . 1 . . . . . . . . 6123 1
176 . 1 1 31 31 CYS HB3 H 1 3.345 0.003 . 1 . . . . . . . . 6123 1
177 . 1 1 32 32 SER H H 1 8.332 0.02 . 1 . . . . . . . . 6123 1
178 . 1 1 32 32 SER HA H 1 4.506 0.001 . 1 . . . . . . . . 6123 1
179 . 1 1 32 32 SER HB2 H 1 3.933 0.004 . 1 . . . . . . . . 6123 1
stop_
save_