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 30961
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 TOCSY' . . . 30961 1
2 '2D COSY' . . . 30961 1
3 '2D NOESY' . . . 30961 1
4 '2D 1H-15N HSQC' . . . 30961 1
5 '2D 1H-13C HSQC' . . . 30961 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 1 1 GLY HA2 H 1 3.908 0.001 . 2 . . . . A 1 GLY HA2 . 30961 1
2 . 1 . 1 1 1 GLY HA3 H 1 3.908 0.001 . 2 . . . . A 1 GLY HA3 . 30961 1
3 . 1 . 1 1 1 GLY CA C 13 41.106 0.000 . 1 . . . . A 1 GLY CA . 30961 1
4 . 1 . 1 2 2 ASP H H 1 8.844 0.002 . 1 . . . . A 2 ASP H . 30961 1
5 . 1 . 1 2 2 ASP HA H 1 4.848 0.000 . 1 . . . . A 2 ASP HA . 30961 1
6 . 1 . 1 2 2 ASP HB2 H 1 2.927 0.000 . 2 . . . . A 2 ASP HB2 . 30961 1
7 . 1 . 1 2 2 ASP HB3 H 1 2.809 0.000 . 2 . . . . A 2 ASP HB3 . 30961 1
8 . 1 . 1 3 3 CYS H H 1 8.243 0.001 . 1 . . . . A 3 CYS H . 30961 1
9 . 1 . 1 3 3 CYS HA H 1 4.908 0.000 . 1 . . . . A 3 CYS HA . 30961 1
10 . 1 . 1 3 3 CYS HB2 H 1 3.255 0.000 . 2 . . . . A 3 CYS HB2 . 30961 1
11 . 1 . 1 3 3 CYS HB3 H 1 3.137 0.000 . 2 . . . . A 3 CYS HB3 . 30961 1
12 . 1 . 1 3 3 CYS N N 15 116.516 0.000 . 1 . . . . A 3 CYS N . 30961 1
13 . 1 . 1 4 4 LEU H H 1 8.646 0.002 . 1 . . . . A 4 LEU H . 30961 1
14 . 1 . 1 4 4 LEU HA H 1 4.413 0.000 . 1 . . . . A 4 LEU HA . 30961 1
15 . 1 . 1 4 4 LEU HB2 H 1 1.844 0.000 . 2 . . . . A 4 LEU HB2 . 30961 1
16 . 1 . 1 4 4 LEU HB3 H 1 1.548 0.000 . 2 . . . . A 4 LEU HB3 . 30961 1
17 . 1 . 1 4 4 LEU HD11 H 1 0.869 0.004 . 2 . . . . A 4 LEU HD11 . 30961 1
18 . 1 . 1 4 4 LEU HD12 H 1 0.869 0.004 . 2 . . . . A 4 LEU HD12 . 30961 1
19 . 1 . 1 4 4 LEU HD13 H 1 0.869 0.004 . 2 . . . . A 4 LEU HD13 . 30961 1
20 . 1 . 1 4 4 LEU HD21 H 1 0.943 0.002 . 2 . . . . A 4 LEU HD21 . 30961 1
21 . 1 . 1 4 4 LEU HD22 H 1 0.943 0.002 . 2 . . . . A 4 LEU HD22 . 30961 1
22 . 1 . 1 4 4 LEU HD23 H 1 0.943 0.002 . 2 . . . . A 4 LEU HD23 . 30961 1
23 . 1 . 1 4 4 LEU CD1 C 13 20.656 0.000 . 1 . . . . A 4 LEU CD1 . 30961 1
24 . 1 . 1 4 4 LEU CD2 C 13 23.587 0.000 . 1 . . . . A 4 LEU CD2 . 30961 1
25 . 1 . 1 4 4 LEU N N 15 121.330 0.000 . 1 . . . . A 4 LEU N . 30961 1
26 . 1 . 1 5 5 GLY H H 1 8.368 0.001 . 1 . . . . A 5 GLY H . 30961 1
27 . 1 . 1 5 5 GLY HA2 H 1 4.152 0.000 . 2 . . . . A 5 GLY HA2 . 30961 1
28 . 1 . 1 5 5 GLY HA3 H 1 3.732 0.000 . 2 . . . . A 5 GLY HA3 . 30961 1
29 . 1 . 1 5 5 GLY N N 15 108.496 0.000 . 1 . . . . A 5 GLY N . 30961 1
30 . 1 . 1 6 6 TRP H H 1 8.109 0.001 . 1 . . . . A 6 TRP H . 30961 1
31 . 1 . 1 6 6 TRP HA H 1 3.538 0.000 . 1 . . . . A 6 TRP HA . 30961 1
32 . 1 . 1 6 6 TRP HB2 H 1 3.142 0.000 . 2 . . . . A 6 TRP HB2 . 30961 1
33 . 1 . 1 6 6 TRP HB3 H 1 3.069 0.000 . 2 . . . . A 6 TRP HB3 . 30961 1
34 . 1 . 1 6 6 TRP HD1 H 1 6.958 0.000 . 1 . . . . A 6 TRP HD1 . 30961 1
35 . 1 . 1 6 6 TRP HE1 H 1 10.024 0.002 . 1 . . . . A 6 TRP HE1 . 30961 1
36 . 1 . 1 6 6 TRP HZ2 H 1 7.471 0.001 . 1 . . . . A 6 TRP HZ2 . 30961 1
37 . 1 . 1 6 6 TRP HZ3 H 1 6.825 0.000 . 1 . . . . A 6 TRP HZ3 . 30961 1
38 . 1 . 1 6 6 TRP HH2 H 1 7.278 0.000 . 1 . . . . A 6 TRP HH2 . 30961 1
39 . 1 . 1 6 6 TRP N N 15 118.931 0.000 . 1 . . . . A 6 TRP N . 30961 1
40 . 1 . 1 6 6 TRP NE1 N 15 129.838 0.000 . 1 . . . . A 6 TRP NE1 . 30961 1
41 . 1 . 1 7 7 PHE H H 1 9.206 0.001 . 1 . . . . A 7 PHE H . 30961 1
42 . 1 . 1 7 7 PHE HA H 1 3.636 0.000 . 1 . . . . A 7 PHE HA . 30961 1
43 . 1 . 1 7 7 PHE HB2 H 1 2.579 0.000 . 2 . . . . A 7 PHE HB2 . 30961 1
44 . 1 . 1 7 7 PHE HB3 H 1 3.076 0.000 . 2 . . . . A 7 PHE HB3 . 30961 1
45 . 1 . 1 7 7 PHE HD1 H 1 6.402 0.001 . 1 . . . . A 7 PHE HD1 . 30961 1
46 . 1 . 1 7 7 PHE HD2 H 1 6.402 0.001 . 1 . . . . A 7 PHE HD2 . 30961 1
47 . 1 . 1 7 7 PHE HE1 H 1 6.817 0.000 . 1 . . . . A 7 PHE HE1 . 30961 1
48 . 1 . 1 7 7 PHE HE2 H 1 6.817 0.000 . 1 . . . . A 7 PHE HE2 . 30961 1
49 . 1 . 1 7 7 PHE HZ H 1 6.981 0.003 . 1 . . . . A 7 PHE HZ . 30961 1
50 . 1 . 1 8 8 SER H H 1 8.097 0.001 . 1 . . . . A 8 SER H . 30961 1
51 . 1 . 1 8 8 SER HA H 1 4.442 0.000 . 1 . . . . A 8 SER HA . 30961 1
52 . 1 . 1 8 8 SER HB2 H 1 3.873 0.003 . 2 . . . . A 8 SER HB2 . 30961 1
53 . 1 . 1 8 8 SER HB3 H 1 3.873 0.003 . 2 . . . . A 8 SER HB3 . 30961 1
54 . 1 . 1 8 8 SER CB C 13 61.635 0.000 . 1 . . . . A 8 SER CB . 30961 1
55 . 1 . 1 8 8 SER N N 15 116.507 0.000 . 1 . . . . A 8 SER N . 30961 1
56 . 1 . 1 9 9 GLY H H 1 8.939 0.001 . 1 . . . . A 9 GLY H . 30961 1
57 . 1 . 1 9 9 GLY HA2 H 1 3.647 0.000 . 2 . . . . A 9 GLY HA2 . 30961 1
58 . 1 . 1 9 9 GLY HA3 H 1 4.168 0.001 . 2 . . . . A 9 GLY HA3 . 30961 1
59 . 1 . 1 9 9 GLY CA C 13 43.920 0.018 . 1 . . . . A 9 GLY CA . 30961 1
60 . 1 . 1 9 9 GLY N N 15 112.521 0.000 . 1 . . . . A 9 GLY N . 30961 1
61 . 1 . 1 10 10 CYS H H 1 8.005 0.002 . 1 . . . . A 10 CYS H . 30961 1
62 . 1 . 1 10 10 CYS HA H 1 4.830 0.000 . 1 . . . . A 10 CYS HA . 30961 1
63 . 1 . 1 10 10 CYS HB2 H 1 3.085 0.001 . 2 . . . . A 10 CYS HB2 . 30961 1
64 . 1 . 1 10 10 CYS HB3 H 1 3.024 0.004 . 2 . . . . A 10 CYS HB3 . 30961 1
65 . 1 . 1 10 10 CYS CB C 13 47.040 0.021 . 1 . . . . A 10 CYS CB . 30961 1
66 . 1 . 1 10 10 CYS N N 15 120.047 0.000 . 1 . . . . A 10 CYS N . 30961 1
67 . 1 . 1 11 11 ASP H H 1 8.837 0.003 . 1 . . . . A 11 ASP H . 30961 1
68 . 1 . 1 11 11 ASP HA H 1 4.896 0.002 . 1 . . . . A 11 ASP HA . 30961 1
69 . 1 . 1 11 11 ASP HB2 H 1 2.571 0.000 . 2 . . . . A 11 ASP HB2 . 30961 1
70 . 1 . 1 11 11 ASP HB3 H 1 2.913 0.000 . 2 . . . . A 11 ASP HB3 . 30961 1
71 . 1 . 1 12 12 PRO HA H 1 3.675 0.005 . 1 . . . . A 12 PRO HA . 30961 1
72 . 1 . 1 12 12 PRO HB2 H 1 0.622 0.002 . 2 . . . . A 12 PRO HB2 . 30961 1
73 . 1 . 1 12 12 PRO HB3 H 1 1.656 0.004 . 2 . . . . A 12 PRO HB3 . 30961 1
74 . 1 . 1 12 12 PRO HG2 H 1 1.131 0.001 . 2 . . . . A 12 PRO HG2 . 30961 1
75 . 1 . 1 12 12 PRO HG3 H 1 0.955 0.002 . 2 . . . . A 12 PRO HG3 . 30961 1
76 . 1 . 1 12 12 PRO HD2 H 1 3.104 0.003 . 2 . . . . A 12 PRO HD2 . 30961 1
77 . 1 . 1 12 12 PRO HD3 H 1 3.104 0.003 . 2 . . . . A 12 PRO HD3 . 30961 1
78 . 1 . 1 12 12 PRO CA C 13 61.560 0.000 . 1 . . . . A 12 PRO CA . 30961 1
79 . 1 . 1 12 12 PRO CB C 13 29.457 0.000 . 1 . . . . A 12 PRO CB . 30961 1
80 . 1 . 1 13 13 ASN H H 1 7.785 0.000 . 1 . . . . A 13 ASN H . 30961 1
81 . 1 . 1 13 13 ASN HA H 1 4.725 0.000 . 1 . . . . A 13 ASN HA . 30961 1
82 . 1 . 1 13 13 ASN HB2 H 1 2.791 0.000 . 2 . . . . A 13 ASN HB2 . 30961 1
83 . 1 . 1 13 13 ASN HB3 H 1 2.917 0.000 . 2 . . . . A 13 ASN HB3 . 30961 1
84 . 1 . 1 13 13 ASN HD21 H 1 7.407 0.003 . 2 . . . . A 13 ASN HD21 . 30961 1
85 . 1 . 1 13 13 ASN HD22 H 1 6.477 0.001 . 2 . . . . A 13 ASN HD22 . 30961 1
86 . 1 . 1 13 13 ASN N N 15 111.862 0.000 . 1 . . . . A 13 ASN N . 30961 1
87 . 1 . 1 13 13 ASN ND2 N 15 109.938 0.006 . 1 . . . . A 13 ASN ND2 . 30961 1
88 . 1 . 1 14 14 ASN H H 1 7.893 0.000 . 1 . . . . A 14 ASN H . 30961 1
89 . 1 . 1 14 14 ASN HA H 1 4.652 0.000 . 1 . . . . A 14 ASN HA . 30961 1
90 . 1 . 1 14 14 ASN HB2 H 1 2.646 0.000 . 2 . . . . A 14 ASN HB2 . 30961 1
91 . 1 . 1 14 14 ASN HB3 H 1 2.583 0.000 . 2 . . . . A 14 ASN HB3 . 30961 1
92 . 1 . 1 14 14 ASN HD21 H 1 7.646 0.001 . 2 . . . . A 14 ASN HD21 . 30961 1
93 . 1 . 1 14 14 ASN HD22 H 1 6.824 0.001 . 2 . . . . A 14 ASN HD22 . 30961 1
94 . 1 . 1 14 14 ASN N N 15 119.887 0.000 . 1 . . . . A 14 ASN N . 30961 1
95 . 1 . 1 14 14 ASN ND2 N 15 111.121 0.018 . 1 . . . . A 14 ASN ND2 . 30961 1
96 . 1 . 1 15 15 ASN H H 1 8.828 0.002 . 1 . . . . A 15 ASN H . 30961 1
97 . 1 . 1 15 15 ASN HA H 1 4.277 0.000 . 1 . . . . A 15 ASN HA . 30961 1
98 . 1 . 1 15 15 ASN HB2 H 1 2.794 0.000 . 2 . . . . A 15 ASN HB2 . 30961 1
99 . 1 . 1 15 15 ASN HB3 H 1 2.937 0.000 . 2 . . . . A 15 ASN HB3 . 30961 1
100 . 1 . 1 15 15 ASN HD21 H 1 7.994 0.000 . 2 . . . . A 15 ASN HD21 . 30961 1
101 . 1 . 1 15 15 ASN HD22 H 1 7.248 0.000 . 2 . . . . A 15 ASN HD22 . 30961 1
102 . 1 . 1 15 15 ASN ND2 N 15 114.273 0.000 . 1 . . . . A 15 ASN ND2 . 30961 1
103 . 1 . 1 16 16 LYS H H 1 8.153 0.002 . 1 . . . . A 16 LYS H . 30961 1
104 . 1 . 1 16 16 LYS HA H 1 4.634 0.000 . 1 . . . . A 16 LYS HA . 30961 1
105 . 1 . 1 16 16 LYS HB2 H 1 2.362 0.000 . 2 . . . . A 16 LYS HB2 . 30961 1
106 . 1 . 1 16 16 LYS HB3 H 1 1.604 0.000 . 2 . . . . A 16 LYS HB3 . 30961 1
107 . 1 . 1 16 16 LYS HG2 H 1 1.475 0.000 . 2 . . . . A 16 LYS HG2 . 30961 1
108 . 1 . 1 16 16 LYS HG3 H 1 1.383 0.000 . 2 . . . . A 16 LYS HG3 . 30961 1
109 . 1 . 1 16 16 LYS HD2 H 1 1.630 0.000 . 2 . . . . A 16 LYS HD2 . 30961 1
110 . 1 . 1 16 16 LYS HD3 H 1 1.630 0.000 . 2 . . . . A 16 LYS HD3 . 30961 1
111 . 1 . 1 16 16 LYS HE2 H 1 2.950 0.000 . 2 . . . . A 16 LYS HE2 . 30961 1
112 . 1 . 1 16 16 LYS HE3 H 1 2.950 0.000 . 2 . . . . A 16 LYS HE3 . 30961 1
113 . 1 . 1 16 16 LYS HZ1 H 1 7.536 0.000 . 1 . . . . A 16 LYS HZ1 . 30961 1
114 . 1 . 1 16 16 LYS HZ2 H 1 7.536 0.000 . 1 . . . . A 16 LYS HZ2 . 30961 1
115 . 1 . 1 16 16 LYS HZ3 H 1 7.536 0.000 . 1 . . . . A 16 LYS HZ3 . 30961 1
116 . 1 . 1 16 16 LYS N N 15 127.913 0.000 . 1 . . . . A 16 LYS N . 30961 1
117 . 1 . 1 17 17 CYS H H 1 8.733 0.000 . 1 . . . . A 17 CYS H . 30961 1
118 . 1 . 1 17 17 CYS HA H 1 5.018 0.000 . 1 . . . . A 17 CYS HA . 30961 1
119 . 1 . 1 17 17 CYS HB2 H 1 3.087 0.003 . 2 . . . . A 17 CYS HB2 . 30961 1
120 . 1 . 1 17 17 CYS HB3 H 1 3.087 0.003 . 2 . . . . A 17 CYS HB3 . 30961 1
121 . 1 . 1 17 17 CYS CB C 13 47.860 0.000 . 1 . . . . A 17 CYS CB . 30961 1
122 . 1 . 1 17 17 CYS N N 15 120.208 0.000 . 1 . . . . A 17 CYS N . 30961 1
123 . 1 . 1 18 18 CYS H H 1 9.717 0.001 . 1 . . . . A 18 CYS H . 30961 1
124 . 1 . 1 18 18 CYS HA H 1 4.542 0.002 . 1 . . . . A 18 CYS HA . 30961 1
125 . 1 . 1 18 18 CYS HB2 H 1 3.472 0.000 . 2 . . . . A 18 CYS HB2 . 30961 1
126 . 1 . 1 18 18 CYS HB3 H 1 2.610 0.000 . 2 . . . . A 18 CYS HB3 . 30961 1
127 . 1 . 1 18 18 CYS CA C 13 52.774 0.000 . 1 . . . . A 18 CYS CA . 30961 1
128 . 1 . 1 18 18 CYS N N 15 121.992 0.000 . 1 . . . . A 18 CYS N . 30961 1
129 . 1 . 1 19 19 GLU H H 1 8.521 0.000 . 1 . . . . A 19 GLU H . 30961 1
130 . 1 . 1 19 19 GLU HA H 1 4.068 0.002 . 1 . . . . A 19 GLU HA . 30961 1
131 . 1 . 1 19 19 GLU HB2 H 1 2.064 0.004 . 2 . . . . A 19 GLU HB2 . 30961 1
132 . 1 . 1 19 19 GLU HB3 H 1 1.996 0.003 . 2 . . . . A 19 GLU HB3 . 30961 1
133 . 1 . 1 19 19 GLU HG2 H 1 2.491 0.000 . 2 . . . . A 19 GLU HG2 . 30961 1
134 . 1 . 1 19 19 GLU HG3 H 1 2.491 0.000 . 2 . . . . A 19 GLU HG3 . 30961 1
135 . 1 . 1 19 19 GLU CA C 13 55.731 0.000 . 1 . . . . A 19 GLU CA . 30961 1
136 . 1 . 1 19 19 GLU CB C 13 25.588 0.003 . 1 . . . . A 19 GLU CB . 30961 1
137 . 1 . 1 19 19 GLU CG C 13 30.411 0.000 . 1 . . . . A 19 GLU CG . 30961 1
138 . 1 . 1 19 19 GLU N N 15 119.876 0.000 . 1 . . . . A 19 GLU N . 30961 1
139 . 1 . 1 20 20 GLY H H 1 8.818 0.000 . 1 . . . . A 20 GLY H . 30961 1
140 . 1 . 1 20 20 GLY HA2 H 1 4.207 0.007 . 2 . . . . A 20 GLY HA2 . 30961 1
141 . 1 . 1 20 20 GLY HA3 H 1 3.522 0.004 . 2 . . . . A 20 GLY HA3 . 30961 1
142 . 1 . 1 20 20 GLY CA C 13 42.217 0.035 . 1 . . . . A 20 GLY CA . 30961 1
143 . 1 . 1 20 20 GLY N N 15 113.934 0.000 . 1 . . . . A 20 GLY N . 30961 1
144 . 1 . 1 21 21 TYR H H 1 7.758 0.000 . 1 . . . . A 21 TYR H . 30961 1
145 . 1 . 1 21 21 TYR HA H 1 5.119 0.000 . 1 . . . . A 21 TYR HA . 30961 1
146 . 1 . 1 21 21 TYR HB2 H 1 3.113 0.000 . 2 . . . . A 21 TYR HB2 . 30961 1
147 . 1 . 1 21 21 TYR HB3 H 1 2.888 0.000 . 2 . . . . A 21 TYR HB3 . 30961 1
148 . 1 . 1 21 21 TYR HD1 H 1 6.688 0.000 . 1 . . . . A 21 TYR HD1 . 30961 1
149 . 1 . 1 21 21 TYR HD2 H 1 6.688 0.000 . 1 . . . . A 21 TYR HD2 . 30961 1
150 . 1 . 1 21 21 TYR HE1 H 1 6.494 0.000 . 1 . . . . A 21 TYR HE1 . 30961 1
151 . 1 . 1 21 21 TYR HE2 H 1 6.494 0.000 . 1 . . . . A 21 TYR HE2 . 30961 1
152 . 1 . 1 21 21 TYR N N 15 117.649 0.000 . 1 . . . . A 21 TYR N . 30961 1
153 . 1 . 1 22 22 VAL H H 1 9.335 0.000 . 1 . . . . A 22 VAL H . 30961 1
154 . 1 . 1 22 22 VAL HA H 1 4.400 0.000 . 1 . . . . A 22 VAL HA . 30961 1
155 . 1 . 1 22 22 VAL HB H 1 1.591 0.000 . 1 . . . . A 22 VAL HB . 30961 1
156 . 1 . 1 22 22 VAL HG11 H 1 0.838 0.001 . 2 . . . . A 22 VAL HG11 . 30961 1
157 . 1 . 1 22 22 VAL HG12 H 1 0.838 0.001 . 2 . . . . A 22 VAL HG12 . 30961 1
158 . 1 . 1 22 22 VAL HG13 H 1 0.838 0.001 . 2 . . . . A 22 VAL HG13 . 30961 1
159 . 1 . 1 22 22 VAL HG21 H 1 0.571 0.001 . 2 . . . . A 22 VAL HG21 . 30961 1
160 . 1 . 1 22 22 VAL HG22 H 1 0.571 0.001 . 2 . . . . A 22 VAL HG22 . 30961 1
161 . 1 . 1 22 22 VAL HG23 H 1 0.571 0.001 . 2 . . . . A 22 VAL HG23 . 30961 1
162 . 1 . 1 22 22 VAL CG1 C 13 18.767 0.000 . 1 . . . . A 22 VAL CG1 . 30961 1
163 . 1 . 1 22 22 VAL CG2 C 13 15.365 0.000 . 1 . . . . A 22 VAL CG2 . 30961 1
164 . 1 . 1 22 22 VAL N N 15 114.877 0.000 . 1 . . . . A 22 VAL N . 30961 1
165 . 1 . 1 23 23 CYS H H 1 8.537 0.000 . 1 . . . . A 23 CYS H . 30961 1
166 . 1 . 1 23 23 CYS HA H 1 4.577 0.000 . 1 . . . . A 23 CYS HA . 30961 1
167 . 1 . 1 23 23 CYS HB2 H 1 2.915 0.000 . 2 . . . . A 23 CYS HB2 . 30961 1
168 . 1 . 1 23 23 CYS HB3 H 1 2.746 0.000 . 2 . . . . A 23 CYS HB3 . 30961 1
169 . 1 . 1 23 23 CYS N N 15 123.246 0.000 . 1 . . . . A 23 CYS N . 30961 1
170 . 1 . 1 24 24 HIS H H 1 8.690 0.000 . 1 . . . . A 24 HIS H . 30961 1
171 . 1 . 1 24 24 HIS HA H 1 5.022 0.000 . 1 . . . . A 24 HIS HA . 30961 1
172 . 1 . 1 24 24 HIS HB2 H 1 3.457 0.000 . 2 . . . . A 24 HIS HB2 . 30961 1
173 . 1 . 1 24 24 HIS HB3 H 1 2.927 0.000 . 2 . . . . A 24 HIS HB3 . 30961 1
174 . 1 . 1 24 24 HIS HD2 H 1 7.248 0.000 . 1 . . . . A 24 HIS HD2 . 30961 1
175 . 1 . 1 24 24 HIS HE1 H 1 8.715 0.000 . 1 . . . . A 24 HIS HE1 . 30961 1
176 . 1 . 1 24 24 HIS CB C 13 28.494 0.021 . 1 . . . . A 24 HIS CB . 30961 1
177 . 1 . 1 24 24 HIS N N 15 123.905 0.000 . 1 . . . . A 24 HIS N . 30961 1
178 . 1 . 1 25 25 TRP H H 1 8.223 0.001 . 1 . . . . A 25 TRP H . 30961 1
179 . 1 . 1 25 25 TRP HA H 1 4.039 0.002 . 1 . . . . A 25 TRP HA . 30961 1
180 . 1 . 1 25 25 TRP HB2 H 1 3.270 0.002 . 2 . . . . A 25 TRP HB2 . 30961 1
181 . 1 . 1 25 25 TRP HB3 H 1 3.147 0.003 . 2 . . . . A 25 TRP HB3 . 30961 1
182 . 1 . 1 25 25 TRP HD1 H 1 7.379 0.000 . 1 . . . . A 25 TRP HD1 . 30961 1
183 . 1 . 1 25 25 TRP HE1 H 1 10.143 0.001 . 1 . . . . A 25 TRP HE1 . 30961 1
184 . 1 . 1 25 25 TRP HE3 H 1 7.594 0.002 . 1 . . . . A 25 TRP HE3 . 30961 1
185 . 1 . 1 25 25 TRP HZ2 H 1 7.460 0.002 . 1 . . . . A 25 TRP HZ2 . 30961 1
186 . 1 . 1 25 25 TRP HZ3 H 1 7.174 0.004 . 1 . . . . A 25 TRP HZ3 . 30961 1
187 . 1 . 1 25 25 TRP HH2 H 1 7.246 0.001 . 1 . . . . A 25 TRP HH2 . 30961 1
188 . 1 . 1 25 25 TRP CA C 13 57.737 0.000 . 1 . . . . A 25 TRP CA . 30961 1
189 . 1 . 1 25 25 TRP CB C 13 26.608 0.000 . 1 . . . . A 25 TRP CB . 30961 1
190 . 1 . 1 25 25 TRP N N 15 120.609 0.000 . 1 . . . . A 25 TRP N . 30961 1
191 . 1 . 1 25 25 TRP NE1 N 15 129.282 0.000 . 1 . . . . A 25 TRP NE1 . 30961 1
192 . 1 . 1 26 26 LYS H H 1 8.165 0.003 . 1 . . . . A 26 LYS H . 30961 1
193 . 1 . 1 26 26 LYS HA H 1 3.759 0.003 . 1 . . . . A 26 LYS HA . 30961 1
194 . 1 . 1 26 26 LYS HB2 H 1 1.393 0.000 . 2 . . . . A 26 LYS HB2 . 30961 1
195 . 1 . 1 26 26 LYS HB3 H 1 1.393 0.000 . 2 . . . . A 26 LYS HB3 . 30961 1
196 . 1 . 1 26 26 LYS HG2 H 1 0.967 0.000 . 2 . . . . A 26 LYS HG2 . 30961 1
197 . 1 . 1 26 26 LYS HG3 H 1 0.812 0.000 . 2 . . . . A 26 LYS HG3 . 30961 1
198 . 1 . 1 26 26 LYS HD2 H 1 1.493 0.000 . 2 . . . . A 26 LYS HD2 . 30961 1
199 . 1 . 1 26 26 LYS HD3 H 1 1.493 0.000 . 2 . . . . A 26 LYS HD3 . 30961 1
200 . 1 . 1 26 26 LYS HE2 H 1 2.875 0.000 . 2 . . . . A 26 LYS HE2 . 30961 1
201 . 1 . 1 26 26 LYS HE3 H 1 2.875 0.000 . 2 . . . . A 26 LYS HE3 . 30961 1
202 . 1 . 1 26 26 LYS HZ1 H 1 7.538 0.000 . 1 . . . . A 26 LYS HZ1 . 30961 1
203 . 1 . 1 26 26 LYS HZ2 H 1 7.538 0.000 . 1 . . . . A 26 LYS HZ2 . 30961 1
204 . 1 . 1 26 26 LYS HZ3 H 1 7.538 0.000 . 1 . . . . A 26 LYS HZ3 . 30961 1
205 . 1 . 1 26 26 LYS CA C 13 55.731 0.000 . 1 . . . . A 26 LYS CA . 30961 1
206 . 1 . 1 26 26 LYS N N 15 116.109 0.000 . 1 . . . . A 26 LYS N . 30961 1
207 . 1 . 1 27 27 TYR H H 1 7.047 0.001 . 1 . . . . A 27 TYR H . 30961 1
208 . 1 . 1 27 27 TYR HA H 1 4.441 0.001 . 1 . . . . A 27 TYR HA . 30961 1
209 . 1 . 1 27 27 TYR HB2 H 1 2.276 0.000 . 2 . . . . A 27 TYR HB2 . 30961 1
210 . 1 . 1 27 27 TYR HB3 H 1 2.517 0.000 . 2 . . . . A 27 TYR HB3 . 30961 1
211 . 1 . 1 27 27 TYR HD1 H 1 7.198 0.000 . 1 . . . . A 27 TYR HD1 . 30961 1
212 . 1 . 1 27 27 TYR HD2 H 1 7.198 0.000 . 1 . . . . A 27 TYR HD2 . 30961 1
213 . 1 . 1 27 27 TYR HE1 H 1 6.777 0.000 . 1 . . . . A 27 TYR HE1 . 30961 1
214 . 1 . 1 27 27 TYR HE2 H 1 6.777 0.000 . 1 . . . . A 27 TYR HE2 . 30961 1
215 . 1 . 1 27 27 TYR N N 15 114.691 0.000 . 1 . . . . A 27 TYR N . 30961 1
216 . 1 . 1 28 28 PRO HA H 1 4.520 0.002 . 1 . . . . A 28 PRO HA . 30961 1
217 . 1 . 1 28 28 PRO HB2 H 1 2.448 0.001 . 2 . . . . A 28 PRO HB2 . 30961 1
218 . 1 . 1 28 28 PRO HB3 H 1 1.378 0.002 . 2 . . . . A 28 PRO HB3 . 30961 1
219 . 1 . 1 28 28 PRO HG2 H 1 1.897 0.002 . 2 . . . . A 28 PRO HG2 . 30961 1
220 . 1 . 1 28 28 PRO HD2 H 1 3.250 0.002 . 2 . . . . A 28 PRO HD2 . 30961 1
221 . 1 . 1 28 28 PRO HD3 H 1 3.180 0.003 . 2 . . . . A 28 PRO HD3 . 30961 1
222 . 1 . 1 28 28 PRO CG C 13 24.634 0.000 . 1 . . . . A 28 PRO CG . 30961 1
223 . 1 . 1 28 28 PRO CD C 13 46.995 0.008 . 1 . . . . A 28 PRO CD . 30961 1
224 . 1 . 1 29 29 TRP H H 1 9.341 0.001 . 1 . . . . A 29 TRP H . 30961 1
225 . 1 . 1 29 29 TRP HA H 1 5.050 0.000 . 1 . . . . A 29 TRP HA . 30961 1
226 . 1 . 1 29 29 TRP HB2 H 1 2.760 0.000 . 2 . . . . A 29 TRP HB2 . 30961 1
227 . 1 . 1 29 29 TRP HB3 H 1 2.249 0.000 . 2 . . . . A 29 TRP HB3 . 30961 1
228 . 1 . 1 29 29 TRP HD1 H 1 6.236 0.000 . 1 . . . . A 29 TRP HD1 . 30961 1
229 . 1 . 1 29 29 TRP HE1 H 1 9.772 0.001 . 1 . . . . A 29 TRP HE1 . 30961 1
230 . 1 . 1 29 29 TRP HE3 H 1 7.082 0.000 . 1 . . . . A 29 TRP HE3 . 30961 1
231 . 1 . 1 29 29 TRP HZ2 H 1 7.398 0.001 . 1 . . . . A 29 TRP HZ2 . 30961 1
232 . 1 . 1 29 29 TRP HZ3 H 1 6.849 0.000 . 1 . . . . A 29 TRP HZ3 . 30961 1
233 . 1 . 1 29 29 TRP HH2 H 1 7.271 0.000 . 1 . . . . A 29 TRP HH2 . 30961 1
234 . 1 . 1 29 29 TRP N N 15 125.805 0.000 . 1 . . . . A 29 TRP N . 30961 1
235 . 1 . 1 29 29 TRP NE1 N 15 128.462 0.000 . 1 . . . . A 29 TRP NE1 . 30961 1
236 . 1 . 1 30 30 CYS H H 1 8.416 0.001 . 1 . . . . A 30 CYS H . 30961 1
237 . 1 . 1 30 30 CYS HA H 1 4.565 0.000 . 1 . . . . A 30 CYS HA . 30961 1
238 . 1 . 1 30 30 CYS HB2 H 1 2.870 0.000 . 2 . . . . A 30 CYS HB2 . 30961 1
239 . 1 . 1 30 30 CYS HB3 H 1 2.389 0.000 . 2 . . . . A 30 CYS HB3 . 30961 1
240 . 1 . 1 31 31 ARG H H 1 8.362 0.002 . 1 . . . . A 31 ARG H . 30961 1
241 . 1 . 1 31 31 ARG HA H 1 4.528 0.000 . 1 . . . . A 31 ARG HA . 30961 1
242 . 1 . 1 31 31 ARG HB2 H 1 1.675 0.000 . 2 . . . . A 31 ARG HB2 . 30961 1
243 . 1 . 1 31 31 ARG HB3 H 1 1.769 0.001 . 2 . . . . A 31 ARG HB3 . 30961 1
244 . 1 . 1 31 31 ARG HG2 H 1 1.483 0.000 . 2 . . . . A 31 ARG HG2 . 30961 1
245 . 1 . 1 31 31 ARG HG3 H 1 1.483 0.000 . 2 . . . . A 31 ARG HG3 . 30961 1
246 . 1 . 1 31 31 ARG HD2 H 1 2.716 0.000 . 2 . . . . A 31 ARG HD2 . 30961 1
247 . 1 . 1 31 31 ARG HD3 H 1 2.984 0.000 . 2 . . . . A 31 ARG HD3 . 30961 1
248 . 1 . 1 31 31 ARG HE H 1 7.167 0.001 . 1 . . . . A 31 ARG HE . 30961 1
249 . 1 . 1 31 31 ARG CB C 13 30.436 0.000 . 1 . . . . A 31 ARG CB . 30961 1
250 . 1 . 1 31 31 ARG N N 15 122.789 0.000 . 1 . . . . A 31 ARG N . 30961 1
251 . 1 . 1 31 31 ARG NE N 15 125.170 0.000 . 1 . . . . A 31 ARG NE . 30961 1
252 . 1 . 1 32 32 TYR H H 1 7.935 0.001 . 1 . . . . A 32 TYR H . 30961 1
253 . 1 . 1 32 32 TYR HA H 1 4.816 0.000 . 1 . . . . A 32 TYR HA . 30961 1
254 . 1 . 1 32 32 TYR HB2 H 1 3.160 0.000 . 2 . . . . A 32 TYR HB2 . 30961 1
255 . 1 . 1 32 32 TYR HB3 H 1 2.791 0.000 . 2 . . . . A 32 TYR HB3 . 30961 1
256 . 1 . 1 32 32 TYR HD1 H 1 7.103 0.000 . 1 . . . . A 32 TYR HD1 . 30961 1
257 . 1 . 1 32 32 TYR HD2 H 1 7.103 0.000 . 1 . . . . A 32 TYR HD2 . 30961 1
258 . 1 . 1 32 32 TYR HE1 H 1 6.605 0.000 . 1 . . . . A 32 TYR HE1 . 30961 1
259 . 1 . 1 32 32 TYR HE2 H 1 6.605 0.000 . 1 . . . . A 32 TYR HE2 . 30961 1
260 . 1 . 1 32 32 TYR N N 15 120.389 0.000 . 1 . . . . A 32 TYR N . 30961 1
261 . 1 . 1 33 33 ASP H H 1 8.803 0.002 . 1 . . . . A 33 ASP H . 30961 1
262 . 1 . 1 33 33 ASP HA H 1 4.653 0.000 . 1 . . . . A 33 ASP HA . 30961 1
263 . 1 . 1 33 33 ASP HB2 H 1 2.796 0.000 . 2 . . . . A 33 ASP HB2 . 30961 1
264 . 1 . 1 33 33 ASP HB3 H 1 2.639 0.000 . 2 . . . . A 33 ASP HB3 . 30961 1
265 . 1 . 1 33 33 ASP N N 15 122.129 0.000 . 1 . . . . A 33 ASP N . 30961 1
266 . 1 . 1 34 34 LEU H H 1 7.715 0.001 . 1 . . . . A 34 LEU H . 30961 1
267 . 1 . 1 34 34 LEU HA H 1 4.289 0.002 . 1 . . . . A 34 LEU HA . 30961 1
268 . 1 . 1 34 34 LEU HB2 H 1 1.569 0.001 . 2 . . . . A 34 LEU HB2 . 30961 1
269 . 1 . 1 34 34 LEU HB3 H 1 1.569 0.001 . 2 . . . . A 34 LEU HB3 . 30961 1
270 . 1 . 1 34 34 LEU HD11 H 1 0.888 0.000 . 2 . . . . A 34 LEU HD11 . 30961 1
271 . 1 . 1 34 34 LEU HD12 H 1 0.888 0.000 . 2 . . . . A 34 LEU HD12 . 30961 1
272 . 1 . 1 34 34 LEU HD13 H 1 0.888 0.000 . 2 . . . . A 34 LEU HD13 . 30961 1
273 . 1 . 1 34 34 LEU HD21 H 1 0.888 0.000 . 2 . . . . A 34 LEU HD21 . 30961 1
274 . 1 . 1 34 34 LEU HD22 H 1 0.888 0.000 . 2 . . . . A 34 LEU HD22 . 30961 1
275 . 1 . 1 34 34 LEU HD23 H 1 0.888 0.000 . 2 . . . . A 34 LEU HD23 . 30961 1
276 . 1 . 1 34 34 LEU CA C 13 52.778 0.000 . 1 . . . . A 34 LEU CA . 30961 1
277 . 1 . 1 34 34 LEU CB C 13 40.193 0.000 . 1 . . . . A 34 LEU CB . 30961 1
278 . 1 . 1 34 34 LEU N N 15 125.146 0.000 . 1 . . . . A 34 LEU N . 30961 1
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