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 50997
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name list1
_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 '2D 1H-15N HSQC' . . . 50997 1
2 '2D 1H-13C HSQC' . . . 50997 1
3 '3D HNCACB' . . . 50997 1
4 '3D HN(CA)CO' . . . 50997 1
5 '3D H(CCO)NH' . . . 50997 1
6 '3D C(CO)NH' . . . 50997 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 $software_1 . . 50997 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 3 3 GLU H H 1 8.510 0.020 . 1 . . . . . 3 GLU H . 50997 1
2 . 1 . 1 3 3 GLU C C 13 176.056 0.3 . 1 . . . . . 3 GLU C . 50997 1
3 . 1 . 1 3 3 GLU CA C 13 56.458 0.3 . 1 . . . . . 3 GLU CA . 50997 1
4 . 1 . 1 3 3 GLU CB C 13 29.456 0.3 . 1 . . . . . 3 GLU CB . 50997 1
5 . 1 . 1 3 3 GLU CG C 13 35.891 0.3 . 1 . . . . . 3 GLU CG . 50997 1
6 . 1 . 1 3 3 GLU N N 15 120.996 0.3 . 1 . . . . . 3 GLU N . 50997 1
7 . 1 . 1 4 4 ALA H H 1 8.324 0.020 . 1 . . . . . 4 ALA H . 50997 1
8 . 1 . 1 4 4 ALA HA H 1 4.054 0.020 . 1 . . . . . 4 ALA HA . 50997 1
9 . 1 . 1 4 4 ALA HB1 H 1 1.190 0.020 . 1 . . . . . 4 ALA HB . 50997 1
10 . 1 . 1 4 4 ALA HB2 H 1 1.190 0.020 . 1 . . . . . 4 ALA HB . 50997 1
11 . 1 . 1 4 4 ALA HB3 H 1 1.190 0.020 . 1 . . . . . 4 ALA HB . 50997 1
12 . 1 . 1 4 4 ALA C C 13 177.398 0.3 . 1 . . . . . 4 ALA C . 50997 1
13 . 1 . 1 4 4 ALA CA C 13 52.398 0.3 . 1 . . . . . 4 ALA CA . 50997 1
14 . 1 . 1 4 4 ALA CB C 13 18.487 0.3 . 1 . . . . . 4 ALA CB . 50997 1
15 . 1 . 1 4 4 ALA N N 15 125.450 0.3 . 1 . . . . . 4 ALA N . 50997 1
16 . 1 . 1 5 5 LYS H H 1 8.080 0.020 . 1 . . . . . 5 LYS H . 50997 1
17 . 1 . 1 5 5 LYS HA H 1 4.030 0.020 . 1 . . . . . 5 LYS HA . 50997 1
18 . 1 . 1 5 5 LYS HB2 H 1 1.624 0.020 . 1 . . . . . 5 LYS HB2 . 50997 1
19 . 1 . 1 5 5 LYS HB3 H 1 1.624 0.020 . 1 . . . . . 5 LYS HB3 . 50997 1
20 . 1 . 1 5 5 LYS HG2 H 1 1.245 0.020 . 1 . . . . . 5 LYS HG2 . 50997 1
21 . 1 . 1 5 5 LYS HG3 H 1 1.245 0.020 . 1 . . . . . 5 LYS HG3 . 50997 1
22 . 1 . 1 5 5 LYS HD2 H 1 1.506 0.020 . 1 . . . . . 5 LYS HD2 . 50997 1
23 . 1 . 1 5 5 LYS HD3 H 1 1.506 0.020 . 1 . . . . . 5 LYS HD3 . 50997 1
24 . 1 . 1 5 5 LYS HE2 H 1 2.790 0.020 . 1 . . . . . 5 LYS HE2 . 50997 1
25 . 1 . 1 5 5 LYS HE3 H 1 2.790 0.020 . 1 . . . . . 5 LYS HE3 . 50997 1
26 . 1 . 1 5 5 LYS C C 13 175.650 0.3 . 1 . . . . . 5 LYS C . 50997 1
27 . 1 . 1 5 5 LYS CA C 13 56.061 0.3 . 1 . . . . . 5 LYS CA . 50997 1
28 . 1 . 1 5 5 LYS CB C 13 32.534 0.3 . 1 . . . . . 5 LYS CB . 50997 1
29 . 1 . 1 5 5 LYS CG C 13 24.177 0.3 . 1 . . . . . 5 LYS CG . 50997 1
30 . 1 . 1 5 5 LYS CD C 13 28.693 0.3 . 1 . . . . . 5 LYS CD . 50997 1
31 . 1 . 1 5 5 LYS CE C 13 41.847 0.3 . 1 . . . . . 5 LYS CE . 50997 1
32 . 1 . 1 5 5 LYS N N 15 119.941 0.3 . 1 . . . . . 5 LYS N . 50997 1
33 . 1 . 1 6 6 ALA H H 1 7.983 0.020 . 1 . . . . . 6 ALA H . 50997 1
34 . 1 . 1 6 6 ALA HA H 1 4.086 0.020 . 1 . . . . . 6 ALA HA . 50997 1
35 . 1 . 1 6 6 ALA HB1 H 1 1.128 0.020 . 1 . . . . . 6 ALA HB . 50997 1
36 . 1 . 1 6 6 ALA HB2 H 1 1.128 0.020 . 1 . . . . . 6 ALA HB . 50997 1
37 . 1 . 1 6 6 ALA HB3 H 1 1.128 0.020 . 1 . . . . . 6 ALA HB . 50997 1
38 . 1 . 1 6 6 ALA C C 13 176.453 0.3 . 1 . . . . . 6 ALA C . 50997 1
39 . 1 . 1 6 6 ALA CA C 13 51.742 0.3 . 1 . . . . . 6 ALA CA . 50997 1
40 . 1 . 1 6 6 ALA CB C 13 19.132 0.3 . 1 . . . . . 6 ALA CB . 50997 1
41 . 1 . 1 6 6 ALA N N 15 124.278 0.3 . 1 . . . . . 6 ALA N . 50997 1
42 . 1 . 1 7 7 ARG H H 1 8.041 0.020 . 1 . . . . . 7 ARG H . 50997 1
43 . 1 . 1 7 7 ARG HA H 1 4.043 0.020 . 1 . . . . . 7 ARG HA . 50997 1
44 . 1 . 1 7 7 ARG HB2 H 1 1.446 0.020 . 1 . . . . . 7 ARG HB2 . 50997 1
45 . 1 . 1 7 7 ARG HB3 H 1 1.446 0.020 . 1 . . . . . 7 ARG HB3 . 50997 1
46 . 1 . 1 7 7 ARG HG2 H 1 1.430 0.020 . 1 . . . . . 7 ARG HG2 . 50997 1
47 . 1 . 1 7 7 ARG HG3 H 1 1.430 0.020 . 1 . . . . . 7 ARG HG3 . 50997 1
48 . 1 . 1 7 7 ARG HD2 H 1 2.952 0.020 . 1 . . . . . 7 ARG HD2 . 50997 1
49 . 1 . 1 7 7 ARG HD3 H 1 2.952 0.020 . 1 . . . . . 7 ARG HD3 . 50997 1
50 . 1 . 1 7 7 ARG C C 13 174.449 0.3 . 1 . . . . . 7 ARG C . 50997 1
51 . 1 . 1 7 7 ARG CA C 13 55.515 0.3 . 1 . . . . . 7 ARG CA . 50997 1
52 . 1 . 1 7 7 ARG CB C 13 30.774 0.3 . 1 . . . . . 7 ARG CB . 50997 1
53 . 1 . 1 7 7 ARG CG C 13 26.831 0.3 . 1 . . . . . 7 ARG CG . 50997 1
54 . 1 . 1 7 7 ARG CD C 13 43.035 0.3 . 1 . . . . . 7 ARG CD . 50997 1
55 . 1 . 1 7 7 ARG N N 15 121.231 0.3 . 1 . . . . . 7 ARG N . 50997 1
56 . 1 . 1 8 8 LEU H H 1 8.118 0.020 . 1 . . . . . 8 LEU H . 50997 1
57 . 1 . 1 8 8 LEU HA H 1 4.202 0.020 . 1 . . . . . 8 LEU HA . 50997 1
58 . 1 . 1 8 8 LEU HB2 H 1 1.028 0.020 . 2 . . . . . 8 LEU HB2 . 50997 1
59 . 1 . 1 8 8 LEU HB3 H 1 1.233 0.020 . 2 . . . . . 8 LEU HB3 . 50997 1
60 . 1 . 1 8 8 LEU HG H 1 1.233 0.020 . 1 . . . . . 8 LEU HG . 50997 1
61 . 1 . 1 8 8 LEU HD11 H 1 0.512 0.020 . 2 . . . . . 8 LEU HD1 . 50997 1
62 . 1 . 1 8 8 LEU HD12 H 1 0.512 0.020 . 2 . . . . . 8 LEU HD1 . 50997 1
63 . 1 . 1 8 8 LEU HD13 H 1 0.512 0.020 . 2 . . . . . 8 LEU HD1 . 50997 1
64 . 1 . 1 8 8 LEU HD21 H 1 0.532 0.020 . 2 . . . . . 8 LEU HD2 . 50997 1
65 . 1 . 1 8 8 LEU HD22 H 1 0.532 0.020 . 2 . . . . . 8 LEU HD2 . 50997 1
66 . 1 . 1 8 8 LEU HD23 H 1 0.532 0.020 . 2 . . . . . 8 LEU HD2 . 50997 1
67 . 1 . 1 8 8 LEU C C 13 175.432 0.3 . 1 . . . . . 8 LEU C . 50997 1
68 . 1 . 1 8 8 LEU CA C 13 53.479 0.3 . 1 . . . . . 8 LEU CA . 50997 1
69 . 1 . 1 8 8 LEU CB C 13 43.045 0.3 . 1 . . . . . 8 LEU CB . 50997 1
70 . 1 . 1 8 8 LEU CG C 13 26.690 0.3 . 1 . . . . . 8 LEU CG . 50997 1
71 . 1 . 1 8 8 LEU CD1 C 13 23.483 0.3 . 1 . . . . . 8 LEU CD1 . 50997 1
72 . 1 . 1 8 8 LEU CD2 C 13 24.160 0.3 . 1 . . . . . 8 LEU CD2 . 50997 1
73 . 1 . 1 8 8 LEU N N 15 124.630 0.3 . 1 . . . . . 8 LEU N . 50997 1
74 . 1 . 1 9 9 CYS H H 1 8.214 0.020 . 1 . . . . . 9 CYS H . 50997 1
75 . 1 . 1 9 9 CYS HA H 1 3.978 0.020 . 1 . . . . . 9 CYS HA . 50997 1
76 . 1 . 1 9 9 CYS HB2 H 1 1.861 0.020 . 2 . . . . . 9 CYS HB2 . 50997 1
77 . 1 . 1 9 9 CYS HB3 H 1 2.668 0.020 . 2 . . . . . 9 CYS HB3 . 50997 1
78 . 1 . 1 9 9 CYS C C 13 177.909 0.3 . 1 . . . . . 9 CYS C . 50997 1
79 . 1 . 1 9 9 CYS CA C 13 59.833 0.3 . 1 . . . . . 9 CYS CA . 50997 1
80 . 1 . 1 9 9 CYS CB C 13 29.702 0.3 . 1 . . . . . 9 CYS CB . 50997 1
81 . 1 . 1 9 9 CYS N N 15 127.443 0.3 . 1 . . . . . 9 CYS N . 50997 1
82 . 1 . 1 10 10 LYS H H 1 9.082 0.020 . 1 . . . . . 10 LYS H . 50997 1
83 . 1 . 1 10 10 LYS HA H 1 3.916 0.020 . 1 . . . . . 10 LYS HA . 50997 1
84 . 1 . 1 10 10 LYS HB2 H 1 1.667 0.020 . 1 . . . . . 10 LYS HB2 . 50997 1
85 . 1 . 1 10 10 LYS HB3 H 1 1.667 0.020 . 1 . . . . . 10 LYS HB3 . 50997 1
86 . 1 . 1 10 10 LYS HG2 H 1 1.332 0.020 . 1 . . . . . 10 LYS HG2 . 50997 1
87 . 1 . 1 10 10 LYS HG3 H 1 1.332 0.020 . 1 . . . . . 10 LYS HG3 . 50997 1
88 . 1 . 1 10 10 LYS HD2 H 1 1.456 0.020 . 1 . . . . . 10 LYS HD2 . 50997 1
89 . 1 . 1 10 10 LYS HD3 H 1 1.456 0.020 . 1 . . . . . 10 LYS HD3 . 50997 1
90 . 1 . 1 10 10 LYS HE2 H 1 2.833 0.020 . 1 . . . . . 10 LYS HE2 . 50997 1
91 . 1 . 1 10 10 LYS HE3 H 1 2.833 0.020 . 1 . . . . . 10 LYS HE3 . 50997 1
92 . 1 . 1 10 10 LYS C C 13 176.548 0.3 . 1 . . . . . 10 LYS C . 50997 1
93 . 1 . 1 10 10 LYS CA C 13 58.252 0.3 . 1 . . . . . 10 LYS CA . 50997 1
94 . 1 . 1 10 10 LYS CB C 13 32.484 0.3 . 1 . . . . . 10 LYS CB . 50997 1
95 . 1 . 1 10 10 LYS CG C 13 24.921 0.3 . 1 . . . . . 10 LYS CG . 50997 1
96 . 1 . 1 10 10 LYS CD C 13 28.892 0.3 . 1 . . . . . 10 LYS CD . 50997 1
97 . 1 . 1 10 10 LYS CE C 13 41.648 0.3 . 1 . . . . . 10 LYS CE . 50997 1
98 . 1 . 1 10 10 LYS N N 15 129.905 0.3 . 1 . . . . . 10 LYS N . 50997 1
99 . 1 . 1 11 11 LEU H H 1 9.306 0.020 . 1 . . . . . 11 LEU H . 50997 1
100 . 1 . 1 11 11 LEU HA H 1 4.223 0.020 . 1 . . . . . 11 LEU HA . 50997 1
101 . 1 . 1 11 11 LEU HB2 H 1 2.007 0.020 . 1 . . . . . 11 LEU HB2 . 50997 1
102 . 1 . 1 11 11 LEU HB3 H 1 2.007 0.020 . 1 . . . . . 11 LEU HB3 . 50997 1
103 . 1 . 1 11 11 LEU HG H 1 1.461 0.020 . 1 . . . . . 11 LEU HG . 50997 1
104 . 1 . 1 11 11 LEU HD11 H 1 0.681 0.020 . 2 . . . . . 11 LEU HD1 . 50997 1
105 . 1 . 1 11 11 LEU HD12 H 1 0.681 0.020 . 2 . . . . . 11 LEU HD1 . 50997 1
106 . 1 . 1 11 11 LEU HD13 H 1 0.681 0.020 . 2 . . . . . 11 LEU HD1 . 50997 1
107 . 1 . 1 11 11 LEU HD21 H 1 0.820 0.020 . 2 . . . . . 11 LEU HD2 . 50997 1
108 . 1 . 1 11 11 LEU HD22 H 1 0.820 0.020 . 2 . . . . . 11 LEU HD2 . 50997 1
109 . 1 . 1 11 11 LEU HD23 H 1 0.820 0.020 . 2 . . . . . 11 LEU HD2 . 50997 1
110 . 1 . 1 11 11 LEU C C 13 177.805 0.3 . 1 . . . . . 11 LEU C . 50997 1
111 . 1 . 1 11 11 LEU CA C 13 56.542 0.3 . 1 . . . . . 11 LEU CA . 50997 1
112 . 1 . 1 11 11 LEU CB C 13 42.041 0.3 . 1 . . . . . 11 LEU CB . 50997 1
113 . 1 . 1 11 11 LEU CG C 13 26.686 0.3 . 1 . . . . . 11 LEU CG . 50997 1
114 . 1 . 1 11 11 LEU CD1 C 13 22.221 0.3 . 1 . . . . . 11 LEU CD1 . 50997 1
115 . 1 . 1 11 11 LEU CD2 C 13 25.267 0.3 . 1 . . . . . 11 LEU CD2 . 50997 1
116 . 1 . 1 11 11 LEU N N 15 121.817 0.3 . 1 . . . . . 11 LEU N . 50997 1
117 . 1 . 1 12 12 CYS H H 1 8.266 0.020 . 1 . . . . . 12 CYS H . 50997 1
118 . 1 . 1 12 12 CYS HA H 1 4.861 0.020 . 1 . . . . . 12 CYS HA . 50997 1
119 . 1 . 1 12 12 CYS HB2 H 1 2.356 0.020 . 2 . . . . . 12 CYS HB2 . 50997 1
120 . 1 . 1 12 12 CYS HB3 H 1 3.099 0.020 . 2 . . . . . 12 CYS HB3 . 50997 1
121 . 1 . 1 12 12 CYS C C 13 176.377 0.3 . 1 . . . . . 12 CYS C . 50997 1
122 . 1 . 1 12 12 CYS CA C 13 57.897 0.3 . 1 . . . . . 12 CYS CA . 50997 1
123 . 1 . 1 12 12 CYS CB C 13 31.843 0.3 . 1 . . . . . 12 CYS CB . 50997 1
124 . 1 . 1 12 12 CYS N N 15 116.542 0.3 . 1 . . . . . 12 CYS N . 50997 1
125 . 1 . 1 13 13 GLY H H 1 7.868 0.020 . 1 . . . . . 13 GLY H . 50997 1
126 . 1 . 1 13 13 GLY HA2 H 1 3.658 0.020 . 2 . . . . . 13 GLY HA2 . 50997 1
127 . 1 . 1 13 13 GLY HA3 H 1 3.919 0.020 . 2 . . . . . 13 GLY HA3 . 50997 1
128 . 1 . 1 13 13 GLY C C 13 172.842 0.3 . 1 . . . . . 13 GLY C . 50997 1
129 . 1 . 1 13 13 GLY CA C 13 46.186 0.3 . 1 . . . . . 13 GLY CA . 50997 1
130 . 1 . 1 13 13 GLY N N 15 113.260 0.3 . 1 . . . . . 13 GLY N . 50997 1
131 . 1 . 1 14 14 GLN H H 1 8.054 0.020 . 1 . . . . . 14 GLN H . 50997 1
132 . 1 . 1 14 14 GLN HA H 1 4.315 0.020 . 1 . . . . . 14 GLN HA . 50997 1
133 . 1 . 1 14 14 GLN HB2 H 1 1.810 0.020 . 2 . . . . . 14 GLN HB2 . 50997 1
134 . 1 . 1 14 14 GLN HB3 H 1 2.080 0.020 . 2 . . . . . 14 GLN HB3 . 50997 1
135 . 1 . 1 14 14 GLN HG2 H 1 2.269 0.020 . 2 . . . . . 14 GLN HG2 . 50997 1
136 . 1 . 1 14 14 GLN HG3 H 1 2.396 0.020 . 2 . . . . . 14 GLN HG3 . 50997 1
137 . 1 . 1 14 14 GLN HE21 H 1 6.783 0.020 . 1 . . . . . 14 GLN HE21 . 50997 1
138 . 1 . 1 14 14 GLN HE22 H 1 7.473 0.020 . 1 . . . . . 14 GLN HE22 . 50997 1
139 . 1 . 1 14 14 GLN C C 13 174.364 0.3 . 1 . . . . . 14 GLN C . 50997 1
140 . 1 . 1 14 14 GLN CA C 13 54.472 0.3 . 1 . . . . . 14 GLN CA . 50997 1
141 . 1 . 1 14 14 GLN CB C 13 30.119 0.3 . 1 . . . . . 14 GLN CB . 50997 1
142 . 1 . 1 14 14 GLN CG C 13 34.010 0.3 . 1 . . . . . 14 GLN CG . 50997 1
143 . 1 . 1 14 14 GLN N N 15 118.769 0.3 . 1 . . . . . 14 GLN N . 50997 1
144 . 1 . 1 14 14 GLN NE2 N 15 113.202 0.3 . 1 . . . . . 14 GLN NE2 . 50997 1
145 . 1 . 1 15 15 LYS H H 1 8.189 0.020 . 1 . . . . . 15 LYS H . 50997 1
146 . 1 . 1 15 15 LYS HA H 1 4.462 0.020 . 1 . . . . . 15 LYS HA . 50997 1
147 . 1 . 1 15 15 LYS HB2 H 1 1.538 0.020 . 1 . . . . . 15 LYS HB2 . 50997 1
148 . 1 . 1 15 15 LYS HB3 H 1 1.538 0.020 . 1 . . . . . 15 LYS HB3 . 50997 1
149 . 1 . 1 15 15 LYS HG2 H 1 1.183 0.020 . 1 . . . . . 15 LYS HG2 . 50997 1
150 . 1 . 1 15 15 LYS HG3 H 1 1.183 0.020 . 1 . . . . . 15 LYS HG3 . 50997 1
151 . 1 . 1 15 15 LYS HD2 H 1 1.587 0.020 . 1 . . . . . 15 LYS HD2 . 50997 1
152 . 1 . 1 15 15 LYS HD3 H 1 1.587 0.020 . 1 . . . . . 15 LYS HD3 . 50997 1
153 . 1 . 1 15 15 LYS HE2 H 1 2.753 0.020 . 1 . . . . . 15 LYS HE2 . 50997 1
154 . 1 . 1 15 15 LYS HE3 H 1 2.753 0.020 . 1 . . . . . 15 LYS HE3 . 50997 1
155 . 1 . 1 15 15 LYS C C 13 177.824 0.3 . 1 . . . . . 15 LYS C . 50997 1
156 . 1 . 1 15 15 LYS CA C 13 55.592 0.3 . 1 . . . . . 15 LYS CA . 50997 1
157 . 1 . 1 15 15 LYS CB C 13 33.723 0.3 . 1 . . . . . 15 LYS CB . 50997 1
158 . 1 . 1 15 15 LYS CG C 13 24.673 0.3 . 1 . . . . . 15 LYS CG . 50997 1
159 . 1 . 1 15 15 LYS CD C 13 29.140 0.3 . 1 . . . . . 15 LYS CD . 50997 1
160 . 1 . 1 15 15 LYS CE C 13 41.549 0.3 . 1 . . . . . 15 LYS CE . 50997 1
161 . 1 . 1 15 15 LYS N N 15 118.183 0.3 . 1 . . . . . 15 LYS N . 50997 1
162 . 1 . 1 16 16 GLY H H 1 8.587 0.020 . 1 . . . . . 16 GLY H . 50997 1
163 . 1 . 1 16 16 GLY HA2 H 1 3.565 0.020 . 2 . . . . . 16 GLY HA2 . 50997 1
164 . 1 . 1 16 16 GLY HA3 H 1 4.196 0.020 . 2 . . . . . 16 GLY HA3 . 50997 1
165 . 1 . 1 16 16 GLY C C 13 172.918 0.3 . 1 . . . . . 16 GLY C . 50997 1
166 . 1 . 1 16 16 GLY CA C 13 45.560 0.3 . 1 . . . . . 16 GLY CA . 50997 1
167 . 1 . 1 16 16 GLY N N 15 107.282 0.3 . 1 . . . . . 16 GLY N . 50997 1
168 . 1 . 1 17 17 HIS H H 1 7.090 0.020 . 1 . . . . . 17 HIS H . 50997 1
169 . 1 . 1 17 17 HIS HA H 1 4.559 0.020 . 1 . . . . . 17 HIS HA . 50997 1
170 . 1 . 1 17 17 HIS HB2 H 1 3.025 0.020 . 1 . . . . . 17 HIS HB2 . 50997 1
171 . 1 . 1 17 17 HIS HB3 H 1 3.025 0.020 . 1 . . . . . 17 HIS HB3 . 50997 1
172 . 1 . 1 17 17 HIS C C 13 170.744 0.3 . 1 . . . . . 17 HIS C . 50997 1
173 . 1 . 1 17 17 HIS CA C 13 55.150 0.3 . 1 . . . . . 17 HIS CA . 50997 1
174 . 1 . 1 17 17 HIS CB C 13 29.456 0.3 . 1 . . . . . 17 HIS CB . 50997 1
175 . 1 . 1 17 17 HIS N N 15 113.495 0.3 . 1 . . . . . 17 HIS N . 50997 1
176 . 1 . 1 18 18 ASP H H 1 7.955 0.020 . 1 . . . . . 18 ASP H . 50997 1
177 . 1 . 1 18 18 ASP HA H 1 4.642 0.020 . 1 . . . . . 18 ASP HA . 50997 1
178 . 1 . 1 18 18 ASP HB2 H 1 2.422 0.020 . 2 . . . . . 18 ASP HB2 . 50997 1
179 . 1 . 1 18 18 ASP HB3 H 1 2.846 0.020 . 2 . . . . . 18 ASP HB3 . 50997 1
180 . 1 . 1 18 18 ASP C C 13 176.255 0.3 . 1 . . . . . 18 ASP C . 50997 1
181 . 1 . 1 18 18 ASP CA C 13 51.709 0.3 . 1 . . . . . 18 ASP CA . 50997 1
182 . 1 . 1 18 18 ASP CB C 13 43.244 0.3 . 1 . . . . . 18 ASP CB . 50997 1
183 . 1 . 1 18 18 ASP N N 15 116.022 0.3 . 1 . . . . . 18 ASP N . 50997 1
184 . 1 . 1 19 19 GLU H H 1 8.953 0.020 . 1 . . . . . 19 GLU H . 50997 1
185 . 1 . 1 19 19 GLU HA H 1 4.369 0.020 . 1 . . . . . 19 GLU HA . 50997 1
186 . 1 . 1 19 19 GLU HB2 H 1 2.021 0.020 . 1 . . . . . 19 GLU HB2 . 50997 1
187 . 1 . 1 19 19 GLU HB3 H 1 2.021 0.020 . 1 . . . . . 19 GLU HB3 . 50997 1
188 . 1 . 1 19 19 GLU HG2 H 1 2.324 0.020 . 2 . . . . . 19 GLU HG2 . 50997 1
189 . 1 . 1 19 19 GLU HG3 H 1 2.442 0.020 . 2 . . . . . 19 GLU HG3 . 50997 1
190 . 1 . 1 19 19 GLU C C 13 177.625 0.3 . 1 . . . . . 19 GLU C . 50997 1
191 . 1 . 1 19 19 GLU CA C 13 59.622 0.3 . 1 . . . . . 19 GLU CA . 50997 1
192 . 1 . 1 19 19 GLU CB C 13 28.414 0.3 . 1 . . . . . 19 GLU CB . 50997 1
193 . 1 . 1 19 19 GLU CG C 13 35.831 0.3 . 1 . . . . . 19 GLU CG . 50997 1
194 . 1 . 1 19 19 GLU N N 15 118.066 0.3 . 1 . . . . . 19 GLU N . 50997 1
195 . 1 . 1 20 20 ARG H H 1 8.208 0.020 . 1 . . . . . 20 ARG H . 50997 1
196 . 1 . 1 20 20 ARG HA H 1 4.030 0.020 . 1 . . . . . 20 ARG HA . 50997 1
197 . 1 . 1 20 20 ARG HB2 H 1 1.748 0.020 . 1 . . . . . 20 ARG HB2 . 50997 1
198 . 1 . 1 20 20 ARG HB3 H 1 1.748 0.020 . 1 . . . . . 20 ARG HB3 . 50997 1
199 . 1 . 1 20 20 ARG HG2 H 1 1.535 0.020 . 1 . . . . . 20 ARG HG2 . 50997 1
200 . 1 . 1 20 20 ARG HG3 H 1 1.535 0.020 . 1 . . . . . 20 ARG HG3 . 50997 1
201 . 1 . 1 20 20 ARG HD2 H 1 3.029 0.020 . 1 . . . . . 20 ARG HD2 . 50997 1
202 . 1 . 1 20 20 ARG HD3 H 1 3.029 0.020 . 1 . . . . . 20 ARG HD3 . 50997 1
203 . 1 . 1 20 20 ARG C C 13 176.907 0.3 . 1 . . . . . 20 ARG C . 50997 1
204 . 1 . 1 20 20 ARG CA C 13 57.748 0.3 . 1 . . . . . 20 ARG CA . 50997 1
205 . 1 . 1 20 20 ARG CB C 13 29.456 0.3 . 1 . . . . . 20 ARG CB . 50997 1
206 . 1 . 1 20 20 ARG CG C 13 27.033 0.3 . 1 . . . . . 20 ARG CG . 50997 1
207 . 1 . 1 20 20 ARG CD C 13 42.971 0.3 . 1 . . . . . 20 ARG CD . 50997 1
208 . 1 . 1 20 20 ARG N N 15 119.121 0.3 . 1 . . . . . 20 ARG N . 50997 1
209 . 1 . 1 21 21 SER H H 1 7.803 0.020 . 1 . . . . . 21 SER H . 50997 1
210 . 1 . 1 21 21 SER HA H 1 4.454 0.020 . 1 . . . . . 21 SER HA . 50997 1
211 . 1 . 1 21 21 SER HB2 H 1 3.747 0.020 . 1 . . . . . 21 SER HB2 . 50997 1
212 . 1 . 1 21 21 SER HB3 H 1 3.747 0.020 . 1 . . . . . 21 SER HB3 . 50997 1
213 . 1 . 1 21 21 SER C C 13 172.455 0.3 . 1 . . . . . 21 SER C . 50997 1
214 . 1 . 1 21 21 SER CA C 13 56.837 0.3 . 1 . . . . . 21 SER CA . 50997 1
215 . 1 . 1 21 21 SER CB C 13 63.531 0.3 . 1 . . . . . 21 SER CB . 50997 1
216 . 1 . 1 21 21 SER N N 15 112.791 0.3 . 1 . . . . . 21 SER N . 50997 1
217 . 1 . 1 22 22 CYS H H 1 7.270 0.020 . 1 . . . . . 22 CYS H . 50997 1
218 . 1 . 1 22 22 CYS HA H 1 3.491 0.020 . 1 . . . . . 22 CYS HA . 50997 1
219 . 1 . 1 22 22 CYS HB2 H 1 2.684 0.020 . 2 . . . . . 22 CYS HB2 . 50997 1
220 . 1 . 1 22 22 CYS HB3 H 1 3.033 0.020 . 2 . . . . . 22 CYS HB3 . 50997 1
221 . 1 . 1 22 22 CYS C C 13 175.895 0.3 . 1 . . . . . 22 CYS C . 50997 1
222 . 1 . 1 22 22 CYS CA C 13 61.868 0.3 . 1 . . . . . 22 CYS CA . 50997 1
223 . 1 . 1 22 22 CYS CB C 13 30.301 0.3 . 1 . . . . . 22 CYS CB . 50997 1
224 . 1 . 1 22 22 CYS N N 15 124.864 0.3 . 1 . . . . . 22 CYS N . 50997 1
225 . 1 . 1 23 23 LYS H H 1 8.203 0.020 . 1 . . . . . 23 LYS H . 50997 1
226 . 1 . 1 23 23 LYS HA H 1 4.206 0.020 . 1 . . . . . 23 LYS HA . 50997 1
227 . 1 . 1 23 23 LYS HB2 H 1 1.755 0.020 . 1 . . . . . 23 LYS HB2 . 50997 1
228 . 1 . 1 23 23 LYS HB3 H 1 1.755 0.020 . 1 . . . . . 23 LYS HB3 . 50997 1
229 . 1 . 1 23 23 LYS HG2 H 1 1.171 0.020 . 1 . . . . . 23 LYS HG2 . 50997 1
230 . 1 . 1 23 23 LYS HG3 H 1 1.171 0.020 . 1 . . . . . 23 LYS HG3 . 50997 1
231 . 1 . 1 23 23 LYS HD2 H 1 1.432 0.020 . 1 . . . . . 23 LYS HD2 . 50997 1
232 . 1 . 1 23 23 LYS HD3 H 1 1.432 0.020 . 1 . . . . . 23 LYS HD3 . 50997 1
233 . 1 . 1 23 23 LYS HE2 H 1 2.765 0.020 . 1 . . . . . 23 LYS HE2 . 50997 1
234 . 1 . 1 23 23 LYS HE3 H 1 2.765 0.020 . 1 . . . . . 23 LYS HE3 . 50997 1
235 . 1 . 1 23 23 LYS C C 13 176.500 0.3 . 1 . . . . . 23 LYS C . 50997 1
236 . 1 . 1 23 23 LYS CA C 13 55.434 0.3 . 1 . . . . . 23 LYS CA . 50997 1
237 . 1 . 1 23 23 LYS CB C 13 32.273 0.3 . 1 . . . . . 23 LYS CB . 50997 1
238 . 1 . 1 23 23 LYS CG C 13 24.226 0.3 . 1 . . . . . 23 LYS CG . 50997 1
239 . 1 . 1 23 23 LYS CD C 13 28.346 0.3 . 1 . . . . . 23 LYS CD . 50997 1
240 . 1 . 1 23 23 LYS CE C 13 41.896 0.3 . 1 . . . . . 23 LYS CE . 50997 1
241 . 1 . 1 23 23 LYS N N 15 126.938 0.3 . 1 . . . . . 23 LYS N . 50997 1
242 . 1 . 1 24 24 GLY H H 1 8.709 0.020 . 1 . . . . . 24 GLY H . 50997 1
243 . 1 . 1 24 24 GLY HA2 H 1 3.709 0.020 . 1 . . . . . 24 GLY HA2 . 50997 1
244 . 1 . 1 24 24 GLY HA3 H 1 3.709 0.020 . 1 . . . . . 24 GLY HA3 . 50997 1
245 . 1 . 1 24 24 GLY C C 13 173.296 0.3 . 1 . . . . . 24 GLY C . 50997 1
246 . 1 . 1 24 24 GLY CA C 13 44.773 0.3 . 1 . . . . . 24 GLY CA . 50997 1
247 . 1 . 1 24 24 GLY N N 15 111.971 0.3 . 1 . . . . . 24 GLY N . 50997 1
248 . 1 . 1 25 25 GLU H H 1 8.128 0.020 . 1 . . . . . 25 GLU H . 50997 1
249 . 1 . 1 25 25 GLU HA H 1 4.036 0.020 . 1 . . . . . 25 GLU HA . 50997 1
250 . 1 . 1 25 25 GLU HB2 H 1 1.698 0.020 . 2 . . . . . 25 GLU HB2 . 50997 1
251 . 1 . 1 25 25 GLU HB3 H 1 1.804 0.020 . 2 . . . . . 25 GLU HB3 . 50997 1
252 . 1 . 1 25 25 GLU HG2 H 1 2.021 0.020 . 1 . . . . . 25 GLU HG2 . 50997 1
253 . 1 . 1 25 25 GLU HG3 H 1 2.021 0.020 . 1 . . . . . 25 GLU HG3 . 50997 1
254 . 1 . 1 25 25 GLU C C 13 175.659 0.3 . 1 . . . . . 25 GLU C . 50997 1
255 . 1 . 1 25 25 GLU CA C 13 56.061 0.3 . 1 . . . . . 25 GLU CA . 50997 1
256 . 1 . 1 25 25 GLU CB C 13 30.102 0.3 . 1 . . . . . 25 GLU CB . 50997 1
257 . 1 . 1 25 25 GLU CG C 13 35.891 0.3 . 1 . . . . . 25 GLU CG . 50997 1
258 . 1 . 1 25 25 GLU N N 15 120.200 0.3 . 1 . . . . . 25 GLU N . 50997 1
259 . 1 . 1 26 26 ALA H H 1 8.240 0.020 . 1 . . . . . 26 ALA H . 50997 1
260 . 1 . 1 26 26 ALA HA H 1 4.080 0.020 . 1 . . . . . 26 ALA HA . 50997 1
261 . 1 . 1 26 26 ALA HB1 H 1 1.183 0.020 . 1 . . . . . 26 ALA HB . 50997 1
262 . 1 . 1 26 26 ALA HB2 H 1 1.183 0.020 . 1 . . . . . 26 ALA HB . 50997 1
263 . 1 . 1 26 26 ALA HB3 H 1 1.183 0.020 . 1 . . . . . 26 ALA HB . 50997 1
264 . 1 . 1 26 26 ALA C C 13 177.228 0.3 . 1 . . . . . 26 ALA C . 50997 1
265 . 1 . 1 26 26 ALA CA C 13 52.239 0.3 . 1 . . . . . 26 ALA CA . 50997 1
266 . 1 . 1 26 26 ALA CB C 13 18.636 0.3 . 1 . . . . . 26 ALA CB . 50997 1
267 . 1 . 1 26 26 ALA N N 15 125.099 0.3 . 1 . . . . . 26 ALA N . 50997 1
268 . 1 . 1 27 27 LYS H H 1 8.124 0.020 . 1 . . . . . 27 LYS H . 50997 1
269 . 1 . 1 27 27 LYS HA H 1 4.067 0.020 . 1 . . . . . 27 LYS HA . 50997 1
270 . 1 . 1 27 27 LYS HB2 H 1 1.605 0.020 . 1 . . . . . 27 LYS HB2 . 50997 1
271 . 1 . 1 27 27 LYS HB3 H 1 1.605 0.020 . 1 . . . . . 27 LYS HB3 . 50997 1
272 . 1 . 1 27 27 LYS HG2 H 1 1.245 0.020 . 1 . . . . . 27 LYS HG2 . 50997 1
273 . 1 . 1 27 27 LYS HG3 H 1 1.245 0.020 . 1 . . . . . 27 LYS HG3 . 50997 1
274 . 1 . 1 27 27 LYS HD2 H 1 1.512 0.020 . 1 . . . . . 27 LYS HD2 . 50997 1
275 . 1 . 1 27 27 LYS HD3 H 1 1.512 0.020 . 1 . . . . . 27 LYS HD3 . 50997 1
276 . 1 . 1 27 27 LYS HE2 H 1 2.784 0.020 . 1 . . . . . 27 LYS HE2 . 50997 1
277 . 1 . 1 27 27 LYS HE3 H 1 2.784 0.020 . 1 . . . . . 27 LYS HE3 . 50997 1
278 . 1 . 1 27 27 LYS C C 13 176.122 0.3 . 1 . . . . . 27 LYS C . 50997 1
279 . 1 . 1 27 27 LYS CA C 13 56.011 0.3 . 1 . . . . . 27 LYS CA . 50997 1
280 . 1 . 1 27 27 LYS CB C 13 32.583 0.3 . 1 . . . . . 27 LYS CB . 50997 1
281 . 1 . 1 27 27 LYS CG C 13 24.077 0.3 . 1 . . . . . 27 LYS CG . 50997 1
282 . 1 . 1 27 27 LYS CD C 13 28.743 0.3 . 1 . . . . . 27 LYS CD . 50997 1
283 . 1 . 1 27 27 LYS CE C 13 41.896 0.3 . 1 . . . . . 27 LYS CE . 50997 1
284 . 1 . 1 27 27 LYS N N 15 120.410 0.3 . 1 . . . . . 27 LYS N . 50997 1
285 . 1 . 1 28 28 GLN H H 1 8.234 0.020 . 1 . . . . . 28 GLN H . 50997 1
286 . 1 . 1 28 28 GLN HA H 1 4.092 0.020 . 1 . . . . . 28 GLN HA . 50997 1
287 . 1 . 1 28 28 GLN HB2 H 1 1.773 0.020 . 2 . . . . . 28 GLN HB2 . 50997 1
288 . 1 . 1 28 28 GLN HB3 H 1 1.913 0.020 . 2 . . . . . 28 GLN HB3 . 50997 1
289 . 1 . 1 28 28 GLN HG2 H 1 2.191 0.020 . 1 . . . . . 28 GLN HG2 . 50997 1
290 . 1 . 1 28 28 GLN HG3 H 1 2.191 0.020 . 1 . . . . . 28 GLN HG3 . 50997 1
291 . 1 . 1 28 28 GLN C C 13 175.309 0.3 . 1 . . . . . 28 GLN C . 50997 1
292 . 1 . 1 28 28 GLN CA C 13 55.564 0.3 . 1 . . . . . 28 GLN CA . 50997 1
293 . 1 . 1 28 28 GLN CB C 13 29.289 0.3 . 1 . . . . . 28 GLN CB . 50997 1
294 . 1 . 1 28 28 GLN CG C 13 33.399 0.3 . 1 . . . . . 28 GLN CG . 50997 1
295 . 1 . 1 28 28 GLN N N 15 121.231 0.3 . 1 . . . . . 28 GLN N . 50997 1
296 . 1 . 1 29 29 LYS H H 1 8.266 0.020 . 1 . . . . . 29 LYS H . 50997 1
297 . 1 . 1 29 29 LYS HA H 1 4.098 0.020 . 1 . . . . . 29 LYS HA . 50997 1
298 . 1 . 1 29 29 LYS HB2 H 1 1.636 0.020 . 1 . . . . . 29 LYS HB2 . 50997 1
299 . 1 . 1 29 29 LYS HB3 H 1 1.636 0.020 . 1 . . . . . 29 LYS HB3 . 50997 1
300 . 1 . 1 29 29 LYS HG2 H 1 1.221 0.020 . 1 . . . . . 29 LYS HG2 . 50997 1
301 . 1 . 1 29 29 LYS HD2 H 1 1.494 0.020 . 1 . . . . . 29 LYS HD2 . 50997 1
302 . 1 . 1 29 29 LYS HD3 H 1 1.494 0.020 . 1 . . . . . 29 LYS HD3 . 50997 1
303 . 1 . 1 29 29 LYS HE2 H 1 2.802 0.020 . 1 . . . . . 29 LYS HE2 . 50997 1
304 . 1 . 1 29 29 LYS HE3 H 1 2.802 0.020 . 1 . . . . . 29 LYS HE3 . 50997 1
305 . 1 . 1 29 29 LYS C C 13 175.716 0.3 . 1 . . . . . 29 LYS C . 50997 1
306 . 1 . 1 29 29 LYS CA C 13 56.061 0.3 . 1 . . . . . 29 LYS CA . 50997 1
307 . 1 . 1 29 29 LYS CB C 13 32.831 0.3 . 1 . . . . . 29 LYS CB . 50997 1
308 . 1 . 1 29 29 LYS CG C 13 24.226 0.3 . 1 . . . . . 29 LYS CG . 50997 1
309 . 1 . 1 29 29 LYS CD C 13 28.693 0.3 . 1 . . . . . 29 LYS CD . 50997 1
310 . 1 . 1 29 29 LYS CE C 13 41.648 0.3 . 1 . . . . . 29 LYS CE . 50997 1
311 . 1 . 1 29 29 LYS N N 15 123.106 0.3 . 1 . . . . . 29 LYS N . 50997 1
312 . 1 . 1 30 30 GLN H H 1 8.349 0.020 . 1 . . . . . 30 GLN H . 50997 1
313 . 1 . 1 30 30 GLN C C 13 174.714 0.3 . 1 . . . . . 30 GLN C . 50997 1
314 . 1 . 1 30 30 GLN CA C 13 55.366 0.3 . 1 . . . . . 30 GLN CA . 50997 1
315 . 1 . 1 30 30 GLN CB C 13 29.456 0.3 . 1 . . . . . 30 GLN CB . 50997 1
316 . 1 . 1 30 30 GLN CG C 13 33.458 0.3 . 1 . . . . . 30 GLN CG . 50997 1
317 . 1 . 1 30 30 GLN N N 15 122.520 0.3 . 1 . . . . . 30 GLN N . 50997 1
318 . 1 . 1 31 31 GLY H H 1 7.977 0.020 . 1 . . . . . 31 GLY H . 50997 1
319 . 1 . 1 31 31 GLY HA2 H 1 3.569 0.020 . 1 . . . . . 31 GLY HA2 . 50997 1
320 . 1 . 1 31 31 GLY HA3 H 1 3.569 0.020 . 1 . . . . . 31 GLY HA3 . 50997 1
321 . 1 . 1 31 31 GLY C C 13 178.306 0.3 . 1 . . . . . 31 GLY C . 50997 1
322 . 1 . 1 31 31 GLY CA C 13 45.737 0.3 . 1 . . . . . 31 GLY CA . 50997 1
323 . 1 . 1 31 31 GLY N N 15 116.894 0.3 . 1 . . . . . 31 GLY N . 50997 1
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