Content for NMR-STAR saveframe, "assigned_chem_shift_list"
save_assigned_chem_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 18160
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Standard
_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 .
_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 NOESY' 1 $PpSB2-Jalpha isotropic 18160 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 ACE H1 H 1 2.092 0.002 . 1 . 249 . . 1 ACE HA1 . 18160 1
2 . 1 1 1 1 ACE H2 H 1 2.092 0.002 . 1 . 249 . . 1 ACE HA2 . 18160 1
3 . 1 1 1 1 ACE H3 H 1 2.092 0.002 . 1 . 249 . . 1 ACE HA3 . 18160 1
4 . 1 1 2 2 THR H H 1 7.890 0.002 . 1 . 1 . . 2 THR H . 18160 1
5 . 1 1 2 2 THR HA H 1 4.274 0.004 . 1 . 2 . . 2 THR HA . 18160 1
6 . 1 1 2 2 THR HB H 1 4.246 0.001 . 1 . 3 . . 2 THR HB . 18160 1
7 . 1 1 2 2 THR HG21 H 1 1.230 0.003 . 1 . 4 . . 2 THR HG21 . 18160 1
8 . 1 1 2 2 THR HG22 H 1 1.230 0.003 . 1 . 4 . . 2 THR HG22 . 18160 1
9 . 1 1 2 2 THR HG23 H 1 1.230 0.003 . 1 . 4 . . 2 THR HG23 . 18160 1
10 . 1 1 3 3 ALA H H 1 8.417 0.001 . 1 . 5 . . 3 ALA H . 18160 1
11 . 1 1 3 3 ALA HA H 1 4.278 0.003 . 1 . 6 . . 3 ALA HA . 18160 1
12 . 1 1 3 3 ALA HB1 H 1 1.426 0.004 . 1 . 7 . . 3 ALA HB1 . 18160 1
13 . 1 1 3 3 ALA HB2 H 1 1.426 0.004 . 1 . 7 . . 3 ALA HB2 . 18160 1
14 . 1 1 3 3 ALA HB3 H 1 1.426 0.004 . 1 . 7 . . 3 ALA HB3 . 18160 1
15 . 1 1 4 4 GLN H H 1 8.223 0.001 . 1 . 8 . . 4 GLN H . 18160 1
16 . 1 1 4 4 GLN HA H 1 4.195 0.002 . 1 . 140 . . 4 GLN HA . 18160 1
17 . 1 1 4 4 GLN HB2 H 1 2.012 0.002 . 2 . 10 . . 4 GLN HB2 . 18160 1
18 . 1 1 4 4 GLN HB3 H 1 2.013 0.001 . 2 . 247 . . 4 GLN HB3 . 18160 1
19 . 1 1 4 4 GLN HG2 H 1 2.324 0.001 . 2 . 246 . . 4 GLN HG2 . 18160 1
20 . 1 1 4 4 GLN HG3 H 1 2.325 0.002 . 2 . 9 . . 4 GLN HG3 . 18160 1
21 . 1 1 4 4 GLN HE21 H 1 7.600 0.001 . 1 . 145 . . 4 GLN HE21 . 18160 1
22 . 1 1 4 4 GLN HE22 H 1 6.753 0.001 . 1 . 146 . . 4 GLN HE22 . 18160 1
23 . 1 1 5 5 VAL H H 1 7.774 0.002 . 1 . 11 . . 5 VAL H . 18160 1
24 . 1 1 5 5 VAL HA H 1 3.947 0.002 . 1 . 12 . . 5 VAL HA . 18160 1
25 . 1 1 5 5 VAL HB H 1 2.006 0.002 . 1 . 13 . . 5 VAL HB . 18160 1
26 . 1 1 5 5 VAL HG11 H 1 0.912 0.003 . 2 . 14 . . 5 VAL HG11 . 18160 1
27 . 1 1 5 5 VAL HG12 H 1 0.912 0.003 . 2 . 14 . . 5 VAL HG12 . 18160 1
28 . 1 1 5 5 VAL HG13 H 1 0.912 0.003 . 2 . 14 . . 5 VAL HG13 . 18160 1
29 . 1 1 5 5 VAL HG21 H 1 0.837 0.002 . 2 . 15 . . 5 VAL HG21 . 18160 1
30 . 1 1 5 5 VAL HG22 H 1 0.837 0.002 . 2 . 15 . . 5 VAL HG22 . 18160 1
31 . 1 1 5 5 VAL HG23 H 1 0.837 0.002 . 2 . 15 . . 5 VAL HG23 . 18160 1
32 . 1 1 6 6 PHE H H 1 8.051 0.001 . 1 . 16 . . 6 PHE H . 18160 1
33 . 1 1 6 6 PHE HA H 1 4.540 0.002 . 1 . 17 . . 6 PHE HA . 18160 1
34 . 1 1 6 6 PHE HB2 H 1 3.209 0.005 . 2 . 19 . . 6 PHE HB2 . 18160 1
35 . 1 1 6 6 PHE HB3 H 1 3.038 0.001 . 2 . 18 . . 6 PHE HB3 . 18160 1
36 . 1 1 6 6 PHE HD1 H 1 7.264 0.001 . 3 . 157 . . 6 PHE HD1 . 18160 1
37 . 1 1 6 6 PHE HD2 H 1 7.264 0.001 . 3 . 157 . . 6 PHE HD2 . 18160 1
38 . 1 1 6 6 PHE HE1 H 1 7.319 0.002 . 3 . 158 . . 6 PHE HE1 . 18160 1
39 . 1 1 6 6 PHE HE2 H 1 7.319 0.002 . 3 . 158 . . 6 PHE HE2 . 18160 1
40 . 1 1 7 7 ALA H H 1 8.142 0.001 . 1 . 20 . . 7 ALA H . 18160 1
41 . 1 1 7 7 ALA HA H 1 4.157 0.002 . 1 . 21 . . 7 ALA HA . 18160 1
42 . 1 1 7 7 ALA HB1 H 1 1.463 0.003 . 1 . 22 . . 7 ALA HB1 . 18160 1
43 . 1 1 7 7 ALA HB2 H 1 1.463 0.003 . 1 . 22 . . 7 ALA HB2 . 18160 1
44 . 1 1 7 7 ALA HB3 H 1 1.463 0.003 . 1 . 22 . . 7 ALA HB3 . 18160 1
45 . 1 1 8 8 GLU H H 1 8.390 0.003 . 1 . 27 . . 8 GLU H . 18160 1
46 . 1 1 8 8 GLU HA H 1 3.958 0.001 . 1 . 28 . . 8 GLU HA . 18160 1
47 . 1 1 8 8 GLU HB2 H 1 2.061 0.002 . 2 . 30 . . 8 GLU HB2 . 18160 1
48 . 1 1 8 8 GLU HB3 H 1 2.113 0.001 . 2 . 29 . . 8 GLU HB3 . 18160 1
49 . 1 1 8 8 GLU HG2 H 1 2.407 0.002 . 2 . 31 . . 8 GLU HG2 . 18160 1
50 . 1 1 8 8 GLU HG3 H 1 2.288 0.001 . 2 . 32 . . 8 GLU HG3 . 18160 1
51 . 1 1 9 9 GLU H H 1 8.379 0.004 . 1 . 33 . . 9 GLU H . 18160 1
52 . 1 1 9 9 GLU HA H 1 4.080 0.002 . 1 . 34 . . 9 GLU HA . 18160 1
53 . 1 1 9 9 GLU HB2 H 1 2.111 0.002 . 2 . 35 . . 9 GLU HB2 . 18160 1
54 . 1 1 9 9 GLU HB3 H 1 2.066 0.002 . 2 . 36 . . 9 GLU HB3 . 18160 1
55 . 1 1 9 9 GLU HG2 H 1 2.326 0.002 . 2 . 136 . . 9 GLU HG2 . 18160 1
56 . 1 1 9 9 GLU HG3 H 1 2.368 0.004 . 2 . 135 . . 9 GLU HG3 . 18160 1
57 . 1 1 10 10 ARG H H 1 7.918 0.003 . 1 . 23 . . 10 ARG H . 18160 1
58 . 1 1 10 10 ARG HA H 1 4.205 0.003 . 1 . 24 . . 10 ARG HA . 18160 1
59 . 1 1 10 10 ARG HB2 H 1 1.897 0.003 . 2 . 25 . . 10 ARG HB2 . 18160 1
60 . 1 1 10 10 ARG HB3 H 1 1.975 0.002 . 2 . 26 . . 10 ARG HB3 . 18160 1
61 . 1 1 10 10 ARG HG2 H 1 1.626 0.003 . 2 . 132 . . 10 ARG HG2 . 18160 1
62 . 1 1 10 10 ARG HG3 H 1 1.681 0.003 . 2 . 131 . . 10 ARG HG3 . 18160 1
63 . 1 1 10 10 ARG HD2 H 1 3.123 0.002 . 2 . 149 . . 10 ARG HD2 . 18160 1
64 . 1 1 10 10 ARG HD3 H 1 3.305 0.002 . 2 . 150 . . 10 ARG HD3 . 18160 1
65 . 1 1 10 10 ARG HE H 1 7.267 0.002 . 1 . 236 . . 10 ARG HE . 18160 1
66 . 1 1 11 11 VAL H H 1 7.982 0.001 . 1 . 37 . . 11 VAL H . 18160 1
67 . 1 1 11 11 VAL HA H 1 3.654 0.002 . 1 . 38 . . 11 VAL HA . 18160 1
68 . 1 1 11 11 VAL HB H 1 2.182 0.001 . 1 . 39 . . 11 VAL HB . 18160 1
69 . 1 1 11 11 VAL HG11 H 1 1.043 0.003 . 2 . 40 . . 11 VAL HG11 . 18160 1
70 . 1 1 11 11 VAL HG12 H 1 1.043 0.003 . 2 . 40 . . 11 VAL HG12 . 18160 1
71 . 1 1 11 11 VAL HG13 H 1 1.043 0.003 . 2 . 40 . . 11 VAL HG13 . 18160 1
72 . 1 1 11 11 VAL HG21 H 1 0.935 0.003 . 2 . 41 . . 11 VAL HG21 . 18160 1
73 . 1 1 11 11 VAL HG22 H 1 0.935 0.003 . 2 . 41 . . 11 VAL HG22 . 18160 1
74 . 1 1 11 11 VAL HG23 H 1 0.935 0.003 . 2 . 41 . . 11 VAL HG23 . 18160 1
75 . 1 1 12 12 ARG H H 1 7.931 0.003 . 1 . 42 . . 12 ARG H . 18160 1
76 . 1 1 12 12 ARG HA H 1 4.114 0.002 . 1 . 43 . . 12 ARG HA . 18160 1
77 . 1 1 12 12 ARG HB2 H 1 1.910 0.002 . 2 . 44 . . 12 ARG HB2 . 18160 1
78 . 1 1 12 12 ARG HB3 H 1 1.973 0.001 . 2 . 240 . . 12 ARG HB3 . 18160 1
79 . 1 1 12 12 ARG HG2 H 1 1.827 0.001 . 2 . 133 . . 12 ARG HG2 . 18160 1
80 . 1 1 12 12 ARG HG3 H 1 1.681 0.004 . 2 . 134 . . 12 ARG HG3 . 18160 1
81 . 1 1 12 12 ARG HD2 H 1 3.232 0.004 . 2 . 245 . . 12 ARG HD2 . 18160 1
82 . 1 1 12 12 ARG HD3 H 1 3.229 0.006 . 2 . 244 . . 12 ARG HD3 . 18160 1
83 . 1 1 12 12 ARG HE H 1 7.522 0.001 . 1 . 239 . . 12 ARG HE . 18160 1
84 . 1 1 13 13 GLU H H 1 8.069 0.003 . 1 . 45 . . 13 GLU H . 18160 1
85 . 1 1 13 13 GLU HA H 1 4.097 0.003 . 1 . 46 . . 13 GLU HA . 18160 1
86 . 1 1 13 13 GLU HB2 H 1 2.142 0.002 . 2 . 50 . . 13 GLU HB2 . 18160 1
87 . 1 1 13 13 GLU HB3 H 1 2.233 0.001 . 2 . 49 . . 13 GLU HB3 . 18160 1
88 . 1 1 13 13 GLU HG2 H 1 2.482 0.003 . 2 . 47 . . 13 GLU HG2 . 18160 1
89 . 1 1 13 13 GLU HG3 H 1 2.299 0.003 . 2 . 48 . . 13 GLU HG3 . 18160 1
90 . 1 1 14 14 LEU H H 1 8.178 0.001 . 1 . 51 . . 14 LEU H . 18160 1
91 . 1 1 14 14 LEU HA H 1 4.207 0.003 . 1 . 52 . . 14 LEU HA . 18160 1
92 . 1 1 14 14 LEU HB2 H 1 1.884 0.002 . 2 . 53 . . 14 LEU HB2 . 18160 1
93 . 1 1 14 14 LEU HB3 H 1 1.662 0.003 . 2 . 54 . . 14 LEU HB3 . 18160 1
94 . 1 1 14 14 LEU HG H 1 1.727 0.002 . 1 . 128 . . 14 LEU HG . 18160 1
95 . 1 1 14 14 LEU HD11 H 1 0.893 0.001 . 2 . 159 . . 14 LEU HD11 . 18160 1
96 . 1 1 14 14 LEU HD12 H 1 0.893 0.001 . 2 . 159 . . 14 LEU HD12 . 18160 1
97 . 1 1 14 14 LEU HD13 H 1 0.893 0.001 . 2 . 159 . . 14 LEU HD13 . 18160 1
98 . 1 1 14 14 LEU HD21 H 1 0.917 0.005 . 2 . 160 . . 14 LEU HD21 . 18160 1
99 . 1 1 14 14 LEU HD22 H 1 0.917 0.005 . 2 . 160 . . 14 LEU HD22 . 18160 1
100 . 1 1 14 14 LEU HD23 H 1 0.917 0.005 . 2 . 160 . . 14 LEU HD23 . 18160 1
101 . 1 1 15 15 GLU H H 1 8.662 0.001 . 1 . 55 . . 15 GLU H . 18160 1
102 . 1 1 15 15 GLU HA H 1 3.912 0.002 . 1 . 56 . . 15 GLU HA . 18160 1
103 . 1 1 15 15 GLU HB2 H 1 2.187 0.002 . 2 . 57 . . 15 GLU HB2 . 18160 1
104 . 1 1 15 15 GLU HB3 H 1 2.021 0.001 . 2 . 58 . . 15 GLU HB3 . 18160 1
105 . 1 1 15 15 GLU HG2 H 1 2.213 0.005 . 2 . 69 . . 15 GLU HG2 . 18160 1
106 . 1 1 15 15 GLU HG3 H 1 2.544 0.001 . 2 . 68 . . 15 GLU HG3 . 18160 1
107 . 1 1 16 16 ALA H H 1 7.885 0.001 . 1 . 59 . . 16 ALA H . 18160 1
108 . 1 1 16 16 ALA HA H 1 4.214 0.004 . 1 . 60 . . 16 ALA HA . 18160 1
109 . 1 1 16 16 ALA HB1 H 1 1.562 0.003 . 1 . 61 . . 16 ALA HB1 . 18160 1
110 . 1 1 16 16 ALA HB2 H 1 1.562 0.003 . 1 . 61 . . 16 ALA HB2 . 18160 1
111 . 1 1 16 16 ALA HB3 H 1 1.562 0.003 . 1 . 61 . . 16 ALA HB3 . 18160 1
112 . 1 1 17 17 GLU H H 1 8.082 0.003 . 1 . 62 . . 17 GLU H . 18160 1
113 . 1 1 17 17 GLU HA H 1 4.104 0.002 . 1 . 63 . . 17 GLU HA . 18160 1
114 . 1 1 17 17 GLU HB2 H 1 2.178 0.002 . 2 . 65 . . 17 GLU HB2 . 18160 1
115 . 1 1 17 17 GLU HB3 H 1 2.260 0.001 . 2 . 64 . . 17 GLU HB3 . 18160 1
116 . 1 1 17 17 GLU HG2 H 1 2.278 0.002 . 2 . 67 . . 17 GLU HG2 . 18160 1
117 . 1 1 17 17 GLU HG3 H 1 2.457 0.003 . 2 . 66 . . 17 GLU HG3 . 18160 1
118 . 1 1 18 18 VAL H H 1 8.513 0.001 . 1 . 70 . . 18 VAL H . 18160 1
119 . 1 1 18 18 VAL HA H 1 3.624 0.002 . 1 . 71 . . 18 VAL HA . 18160 1
120 . 1 1 18 18 VAL HB H 1 2.135 0.001 . 1 . 72 . . 18 VAL HB . 18160 1
121 . 1 1 18 18 VAL HG11 H 1 0.929 0.001 . 2 . 74 . . 18 VAL HG11 . 18160 1
122 . 1 1 18 18 VAL HG12 H 1 0.929 0.001 . 2 . 74 . . 18 VAL HG12 . 18160 1
123 . 1 1 18 18 VAL HG13 H 1 0.929 0.001 . 2 . 74 . . 18 VAL HG13 . 18160 1
124 . 1 1 18 18 VAL HG21 H 1 1.055 0.002 . 2 . 73 . . 18 VAL HG21 . 18160 1
125 . 1 1 18 18 VAL HG22 H 1 1.055 0.002 . 2 . 73 . . 18 VAL HG22 . 18160 1
126 . 1 1 18 18 VAL HG23 H 1 1.055 0.002 . 2 . 73 . . 18 VAL HG23 . 18160 1
127 . 1 1 19 19 ALA H H 1 8.071 0.002 . 1 . 75 . . 19 ALA H . 18160 1
128 . 1 1 19 19 ALA HA H 1 4.050 0.002 . 1 . 76 . . 19 ALA HA . 18160 1
129 . 1 1 19 19 ALA HB1 H 1 1.541 0.001 . 1 . 77 . . 19 ALA HB1 . 18160 1
130 . 1 1 19 19 ALA HB2 H 1 1.541 0.001 . 1 . 77 . . 19 ALA HB2 . 18160 1
131 . 1 1 19 19 ALA HB3 H 1 1.541 0.001 . 1 . 77 . . 19 ALA HB3 . 18160 1
132 . 1 1 20 20 GLU H H 1 7.848 0.001 . 1 . 78 . . 20 GLU H . 18160 1
133 . 1 1 20 20 GLU HA H 1 4.310 0.005 . 1 . 79 . . 20 GLU HA . 18160 1
134 . 1 1 20 20 GLU HB2 H 1 2.106 0.002 . 2 . 82 . . 20 GLU HB2 . 18160 1
135 . 1 1 20 20 GLU HB3 H 1 2.165 0.002 . 2 . 83 . . 20 GLU HB3 . 18160 1
136 . 1 1 20 20 GLU HG2 H 1 2.264 0.003 . 2 . 80 . . 20 GLU HG2 . 18160 1
137 . 1 1 20 20 GLU HG3 H 1 2.442 0.009 . 2 . 81 . . 20 GLU HG3 . 18160 1
138 . 1 1 21 21 LEU H H 1 8.245 0.001 . 1 . 84 . . 21 LEU H . 18160 1
139 . 1 1 21 21 LEU HA H 1 4.075 0.002 . 1 . 85 . . 21 LEU HA . 18160 1
140 . 1 1 21 21 LEU HB2 H 1 1.911 0.003 . 2 . 87 . . 21 LEU HB2 . 18160 1
141 . 1 1 21 21 LEU HB3 H 1 1.612 0.002 . 2 . 86 . . 21 LEU HB3 . 18160 1
142 . 1 1 21 21 LEU HG H 1 1.773 0.001 . 1 . 88 . . 21 LEU HG . 18160 1
143 . 1 1 21 21 LEU HD11 H 1 0.871 0.001 . 2 . 161 . . 21 LEU HD11 . 18160 1
144 . 1 1 21 21 LEU HD12 H 1 0.871 0.001 . 2 . 161 . . 21 LEU HD12 . 18160 1
145 . 1 1 21 21 LEU HD13 H 1 0.871 0.001 . 2 . 161 . . 21 LEU HD13 . 18160 1
146 . 1 1 21 21 LEU HD21 H 1 0.928 0.001 . 2 . 162 . . 21 LEU HD21 . 18160 1
147 . 1 1 21 21 LEU HD22 H 1 0.928 0.001 . 2 . 162 . . 21 LEU HD22 . 18160 1
148 . 1 1 21 21 LEU HD23 H 1 0.928 0.001 . 2 . 162 . . 21 LEU HD23 . 18160 1
149 . 1 1 22 22 ARG H H 1 8.506 0.001 . 1 . 89 . . 22 ARG H . 18160 1
150 . 1 1 22 22 ARG HA H 1 4.007 0.002 . 1 . 90 . . 22 ARG HA . 18160 1
151 . 1 1 22 22 ARG HB2 H 1 1.915 0.003 . 2 . 92 . . 22 ARG HB2 . 18160 1
152 . 1 1 22 22 ARG HB3 H 1 1.894 0.001 . 2 . 91 . . 22 ARG HB3 . 18160 1
153 . 1 1 22 22 ARG HG2 H 1 1.617 0.002 . 2 . 130 . . 22 ARG HG2 . 18160 1
154 . 1 1 22 22 ARG HG3 H 1 1.880 0.002 . 2 . 129 . . 22 ARG HG3 . 18160 1
155 . 1 1 22 22 ARG HD2 H 1 3.131 0.002 . 2 . 153 . . 22 ARG HD2 . 18160 1
156 . 1 1 22 22 ARG HD3 H 1 3.132 0.002 . 2 . 154 . . 22 ARG HD3 . 18160 1
157 . 1 1 22 22 ARG HE H 1 7.157 0.001 . 1 . 241 . . 22 ARG HE . 18160 1
158 . 1 1 23 23 ARG H H 1 7.997 0.001 . 1 . 93 . . 23 ARG H . 18160 1
159 . 1 1 23 23 ARG HA H 1 4.079 0.001 . 1 . 94 . . 23 ARG HA . 18160 1
160 . 1 1 23 23 ARG HB2 H 1 2.024 0.001 . 2 . 97 . . 23 ARG HB2 . 18160 1
161 . 1 1 23 23 ARG HB3 H 1 2.023 0.001 . 2 . 234 . . 23 ARG HB3 . 18160 1
162 . 1 1 23 23 ARG HG2 H 1 1.565 0.003 . 2 . 96 . . 23 ARG HG2 . 18160 1
163 . 1 1 23 23 ARG HG3 H 1 1.772 0.001 . 2 . 95 . . 23 ARG HG3 . 18160 1
164 . 1 1 23 23 ARG HD2 H 1 3.186 0.001 . 2 . 151 . . 23 ARG HD2 . 18160 1
165 . 1 1 23 23 ARG HD3 H 1 3.290 0.001 . 2 . 152 . . 23 ARG HD3 . 18160 1
166 . 1 1 23 23 ARG HE H 1 7.805 0.001 . 1 . 235 . . 23 ARG HE . 18160 1
167 . 1 1 24 24 GLN H H 1 8.177 0.001 . 1 . 98 . . 24 GLN H . 18160 1
168 . 1 1 24 24 GLN HA H 1 4.082 0.003 . 1 . 99 . . 24 GLN HA . 18160 1
169 . 1 1 24 24 GLN HB2 H 1 2.232 0.002 . 2 . 102 . . 24 GLN HB2 . 18160 1
170 . 1 1 24 24 GLN HB3 H 1 2.162 0.002 . 2 . 103 . . 24 GLN HB3 . 18160 1
171 . 1 1 24 24 GLN HG2 H 1 2.426 0.003 . 2 . 100 . . 24 GLN HG2 . 18160 1
172 . 1 1 24 24 GLN HG3 H 1 2.624 0.001 . 2 . 101 . . 24 GLN HG3 . 18160 1
173 . 1 1 24 24 GLN HE21 H 1 7.830 0.003 . 1 . 144 . . 24 GLN HE21 . 18160 1
174 . 1 1 24 24 GLN HE22 H 1 6.669 0.003 . 1 . 143 . . 24 GLN HE22 . 18160 1
175 . 1 1 25 25 GLN H H 1 8.110 0.001 . 1 . 104 . . 25 GLN H . 18160 1
176 . 1 1 25 25 GLN HA H 1 4.200 0.003 . 1 . 105 . . 25 GLN HA . 18160 1
177 . 1 1 25 25 GLN HB2 H 1 2.141 0.002 . 2 . 109 . . 25 GLN HB2 . 18160 1
178 . 1 1 25 25 GLN HB3 H 1 2.181 0.004 . 2 . 108 . . 25 GLN HB3 . 18160 1
179 . 1 1 25 25 GLN HG2 H 1 2.416 0.002 . 2 . 107 . . 25 GLN HG2 . 18160 1
180 . 1 1 25 25 GLN HG3 H 1 2.542 0.001 . 2 . 106 . . 25 GLN HG3 . 18160 1
181 . 1 1 25 25 GLN HE21 H 1 6.692 0.002 . 1 . 142 . . 25 GLN HE21 . 18160 1
182 . 1 1 25 25 GLN HE22 H 1 7.393 0.001 . 1 . 141 . . 25 GLN HE22 . 18160 1
183 . 1 1 26 26 GLY H H 1 8.047 0.002 . 1 . 137 . . 26 GLY H . 18160 1
184 . 1 1 26 26 GLY HA2 H 1 4.005 0.002 . 2 . 138 . . 26 GLY HA2 . 18160 1
185 . 1 1 26 26 GLY HA3 H 1 3.942 0.004 . 2 . 139 . . 26 GLY HA3 . 18160 1
186 . 1 1 27 27 GLN H H 1 7.884 0.001 . 1 . 110 . . 27 GLN H . 18160 1
187 . 1 1 27 27 GLN HA H 1 4.331 0.003 . 1 . 111 . . 27 GLN HA . 18160 1
188 . 1 1 27 27 GLN HB2 H 1 2.015 0.003 . 2 . 114 . . 27 GLN HB2 . 18160 1
189 . 1 1 27 27 GLN HB3 H 1 2.170 0.004 . 2 . 113 . . 27 GLN HB3 . 18160 1
190 . 1 1 27 27 GLN HG2 H 1 2.404 0.001 . 2 . 248 . . 27 GLN HG2 . 18160 1
191 . 1 1 27 27 GLN HG3 H 1 2.408 0.003 . 2 . 112 . . 27 GLN HG3 . 18160 1
192 . 1 1 27 27 GLN HE21 H 1 7.503 0.001 . 1 . 148 . . 27 GLN HE21 . 18160 1
193 . 1 1 27 27 GLN HE22 H 1 6.800 0.004 . 1 . 147 . . 27 GLN HE22 . 18160 1
194 . 1 1 28 28 ALA H H 1 8.038 0.002 . 1 . 115 . . 28 ALA H . 18160 1
195 . 1 1 28 28 ALA HA H 1 4.306 0.006 . 1 . 116 . . 28 ALA HA . 18160 1
196 . 1 1 28 28 ALA HB1 H 1 1.393 0.002 . 1 . 117 . . 28 ALA HB1 . 18160 1
197 . 1 1 28 28 ALA HB2 H 1 1.393 0.002 . 1 . 117 . . 28 ALA HB2 . 18160 1
198 . 1 1 28 28 ALA HB3 H 1 1.393 0.002 . 1 . 117 . . 28 ALA HB3 . 18160 1
199 . 1 1 29 29 LYS H H 1 8.116 0.001 . 1 . 118 . . 29 LYS H . 18160 1
200 . 1 1 29 29 LYS HA H 1 4.284 0.006 . 1 . 119 . . 29 LYS HA . 18160 1
201 . 1 1 29 29 LYS HB2 H 1 1.728 0.002 . 2 . 120 . . 29 LYS HB2 . 18160 1
202 . 1 1 29 29 LYS HB3 H 1 1.831 0.002 . 2 . 121 . . 29 LYS HB3 . 18160 1
203 . 1 1 29 29 LYS HG2 H 1 1.397 0.003 . 2 . 123 . . 29 LYS HG2 . 18160 1
204 . 1 1 29 29 LYS HG3 H 1 1.461 0.001 . 2 . 122 . . 29 LYS HG3 . 18160 1
205 . 1 1 29 29 LYS HD2 H 1 1.684 0.001 . 2 . 242 . . 29 LYS HD2 . 18160 1
206 . 1 1 29 29 LYS HD3 H 1 1.731 0.001 . 2 . 243 . . 29 LYS HD3 . 18160 1
207 . 1 1 29 29 LYS HE2 H 1 3.002 0.001 . 1 . 155 . . 29 LYS HE2 . 18160 1
208 . 1 1 29 29 LYS HE3 H 1 3.002 0.001 . 1 . 156 . . 29 LYS HE3 . 18160 1
209 . 1 1 30 30 HIS H H 1 7.939 0.002 . 1 . 124 . . 30 HIS H . 18160 1
210 . 1 1 30 30 HIS HA H 1 4.465 0.001 . 1 . 125 . . 30 HIS HA . 18160 1
211 . 1 1 30 30 HIS HB2 H 1 3.073 0.002 . 2 . 127 . . 30 HIS HB2 . 18160 1
212 . 1 1 30 30 HIS HB3 H 1 3.230 0.006 . 2 . 126 . . 30 HIS HB3 . 18160 1
213 . 1 1 30 30 HIS HD2 H 1 7.171 0.001 . 1 . 237 . . 30 HIS HD2 . 18160 1
214 . 1 1 30 30 HIS HE1 H 1 8.381 0.001 . 1 . 238 . . 30 HIS HE1 . 18160 1
stop_
save_