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 34792
_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 1H-1H TOCSY' . . . 34792 1
2 '2D 1H-1H NOESY' . . . 34792 1
3 '2D 1H-1H COSY' . . . 34792 1
4 '2D 1H-15N HSQC' . . . 34792 1
5 '2D 1H-13C HSQC' . . . 34792 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 ALA HA H 1 4.166 0.000 . 1 . . . . D 1 ALA HA . 34792 1
2 . 1 . 1 1 1 ALA HB1 H 1 1.570 0.000 . 1 . . . . D 1 ALA HB1 . 34792 1
3 . 1 . 1 1 1 ALA HB2 H 1 1.570 0.000 . 1 . . . . D 1 ALA HB2 . 34792 1
4 . 1 . 1 1 1 ALA HB3 H 1 1.570 0.000 . 1 . . . . D 1 ALA HB3 . 34792 1
5 . 1 . 1 2 2 CYS H H 1 8.604 0.000 . 1 . . . . D 2 CYS H . 34792 1
6 . 1 . 1 2 2 CYS HA H 1 4.673 0.000 . 1 . . . . D 2 CYS HA . 34792 1
7 . 1 . 1 2 2 CYS HB2 H 1 3.137 0.000 . 1 . . . . D 2 CYS HB2 . 34792 1
8 . 1 . 1 2 2 CYS HB3 H 1 2.812 0.000 . 1 . . . . D 2 CYS HB3 . 34792 1
9 . 1 . 1 2 2 CYS N N 15 117.520 0.000 . 1 . . . . D 2 CYS N . 34792 1
10 . 1 . 1 3 3 ARG H H 1 9.209 0.000 . 1 . . . . D 3 ARG H . 34792 1
11 . 1 . 1 3 3 ARG HA H 1 4.444 0.000 . 1 . . . . D 3 ARG HA . 34792 1
12 . 1 . 1 3 3 ARG HB2 H 1 1.656 0.000 . 1 . . . . D 3 ARG HB2 . 34792 1
13 . 1 . 1 3 3 ARG HB3 H 1 1.958 0.000 . 1 . . . . D 3 ARG HB3 . 34792 1
14 . 1 . 1 3 3 ARG HG2 H 1 1.772 0.000 . 1 . . . . D 3 ARG HG2 . 34792 1
15 . 1 . 1 3 3 ARG HG3 H 1 2.044 0.000 . 1 . . . . D 3 ARG HG3 . 34792 1
16 . 1 . 1 3 3 ARG HD2 H 1 3.254 0.000 . 1 . . . . D 3 ARG HD2 . 34792 1
17 . 1 . 1 3 3 ARG HD3 H 1 3.254 0.000 . 1 . . . . D 3 ARG HD3 . 34792 1
18 . 1 . 1 3 3 ARG HE H 1 7.250 0.000 . 1 . . . . D 3 ARG HE . 34792 1
19 . 1 . 1 3 3 ARG N N 15 121.671 0.000 . 1 . . . . D 3 ARG N . 34792 1
20 . 1 . 1 4 4 GLU H H 1 8.327 0.000 . 1 . . . . D 4 GLU H . 34792 1
21 . 1 . 1 4 4 GLU HA H 1 4.061 0.000 . 1 . . . . D 4 GLU HA . 34792 1
22 . 1 . 1 4 4 GLU HB2 H 1 2.310 0.000 . 1 . . . . D 4 GLU HB2 . 34792 1
23 . 1 . 1 4 4 GLU HB3 H 1 1.883 0.000 . 1 . . . . D 4 GLU HB3 . 34792 1
24 . 1 . 1 4 4 GLU HG2 H 1 2.440 0.000 . 1 . . . . D 4 GLU HG2 . 34792 1
25 . 1 . 1 4 4 GLU HG3 H 1 2.440 0.000 . 1 . . . . D 4 GLU HG3 . 34792 1
26 . 1 . 1 4 4 GLU N N 15 121.544 0.000 . 1 . . . . D 4 GLU N . 34792 1
27 . 1 . 1 5 5 TRP H H 1 8.116 0.000 . 1 . . . . D 5 TRP H . 34792 1
28 . 1 . 1 5 5 TRP HA H 1 3.523 0.000 . 1 . . . . D 5 TRP HA . 34792 1
29 . 1 . 1 5 5 TRP HB2 H 1 3.037 0.000 . 1 . . . . D 5 TRP HB2 . 34792 1
30 . 1 . 1 5 5 TRP HB3 H 1 2.558 0.000 . 1 . . . . D 5 TRP HB3 . 34792 1
31 . 1 . 1 5 5 TRP HD1 H 1 6.357 0.000 . 1 . . . . D 5 TRP HD1 . 34792 1
32 . 1 . 1 5 5 TRP HE1 H 1 10.328 0.000 . 1 . . . . D 5 TRP HE1 . 34792 1
33 . 1 . 1 5 5 TRP HE3 H 1 7.507 0.000 . 1 . . . . D 5 TRP HE3 . 34792 1
34 . 1 . 1 5 5 TRP HZ2 H 1 7.562 0.000 . 1 . . . . D 5 TRP HZ2 . 34792 1
35 . 1 . 1 5 5 TRP HZ3 H 1 7.168 0.000 . 1 . . . . D 5 TRP HZ3 . 34792 1
36 . 1 . 1 5 5 TRP HH2 H 1 7.289 0.000 . 1 . . . . D 5 TRP HH2 . 34792 1
37 . 1 . 1 5 5 TRP N N 15 119.923 0.000 . 1 . . . . D 5 TRP N . 34792 1
38 . 1 . 1 6 6 LEU H H 1 8.450 0.000 . 1 . . . . D 6 LEU H . 34792 1
39 . 1 . 1 6 6 LEU HA H 1 2.974 0.000 . 1 . . . . D 6 LEU HA . 34792 1
40 . 1 . 1 6 6 LEU HB2 H 1 1.459 0.000 . 1 . . . . D 6 LEU HB2 . 34792 1
41 . 1 . 1 6 6 LEU HB3 H 1 0.889 0.000 . 1 . . . . D 6 LEU HB3 . 34792 1
42 . 1 . 1 6 6 LEU HG H 1 -0.148 0.000 . 1 . . . . D 6 LEU HG . 34792 1
43 . 1 . 1 6 6 LEU HD11 H 1 -0.519 0.000 . 1 . . . . D 6 LEU HD11 . 34792 1
44 . 1 . 1 6 6 LEU HD12 H 1 -0.519 0.000 . 1 . . . . D 6 LEU HD12 . 34792 1
45 . 1 . 1 6 6 LEU HD13 H 1 -0.519 0.000 . 1 . . . . D 6 LEU HD13 . 34792 1
46 . 1 . 1 6 6 LEU HD21 H 1 -0.150 0.000 . 1 . . . . D 6 LEU HD21 . 34792 1
47 . 1 . 1 6 6 LEU HD22 H 1 -0.150 0.000 . 1 . . . . D 6 LEU HD22 . 34792 1
48 . 1 . 1 6 6 LEU HD23 H 1 -0.150 0.000 . 1 . . . . D 6 LEU HD23 . 34792 1
49 . 1 . 1 6 6 LEU N N 15 121.814 0.000 . 1 . . . . D 6 LEU N . 34792 1
50 . 1 . 1 7 7 GLY H H 1 8.993 0.000 . 1 . . . . D 7 GLY H . 34792 1
51 . 1 . 1 7 7 GLY HA2 H 1 3.407 0.000 . 1 . . . . D 7 GLY HA2 . 34792 1
52 . 1 . 1 7 7 GLY HA3 H 1 4.009 0.000 . 1 . . . . D 7 GLY HA3 . 34792 1
53 . 1 . 1 7 7 GLY N N 15 110.057 0.000 . 1 . . . . D 7 GLY N . 34792 1
54 . 1 . 1 8 8 GLY H H 1 8.564 0.000 . 1 . . . . D 8 GLY H . 34792 1
55 . 1 . 1 8 8 GLY HA2 H 1 3.736 0.000 . 1 . . . . D 8 GLY HA2 . 34792 1
56 . 1 . 1 8 8 GLY HA3 H 1 4.214 0.000 . 1 . . . . D 8 GLY HA3 . 34792 1
57 . 1 . 1 8 8 GLY N N 15 109.367 0.000 . 1 . . . . D 8 GLY N . 34792 1
58 . 1 . 1 9 9 CYS H H 1 7.541 0.000 . 1 . . . . D 9 CYS H . 34792 1
59 . 1 . 1 9 9 CYS HA H 1 4.932 0.000 . 1 . . . . D 9 CYS HA . 34792 1
60 . 1 . 1 9 9 CYS HB2 H 1 3.214 0.000 . 1 . . . . D 9 CYS HB2 . 34792 1
61 . 1 . 1 9 9 CYS HB3 H 1 3.214 0.000 . 1 . . . . D 9 CYS HB3 . 34792 1
62 . 1 . 1 9 9 CYS N N 15 114.619 0.000 . 1 . . . . D 9 CYS N . 34792 1
63 . 1 . 1 10 10 SER H H 1 9.614 0.000 . 1 . . . . D 10 SER H . 34792 1
64 . 1 . 1 10 10 SER HA H 1 4.610 0.000 . 1 . . . . D 10 SER HA . 34792 1
65 . 1 . 1 10 10 SER HB2 H 1 3.856 0.000 . 1 . . . . D 10 SER HB2 . 34792 1
66 . 1 . 1 10 10 SER HB3 H 1 3.812 0.000 . 1 . . . . D 10 SER HB3 . 34792 1
67 . 1 . 1 10 10 SER N N 15 112.703 0.000 . 1 . . . . D 10 SER N . 34792 1
68 . 1 . 1 11 11 LYS H H 1 7.982 0.000 . 1 . . . . D 11 LYS H . 34792 1
69 . 1 . 1 11 11 LYS HA H 1 4.647 0.000 . 1 . . . . D 11 LYS HA . 34792 1
70 . 1 . 1 11 11 LYS HB2 H 1 1.981 0.000 . 1 . . . . D 11 LYS HB2 . 34792 1
71 . 1 . 1 11 11 LYS HB3 H 1 1.859 0.000 . 1 . . . . D 11 LYS HB3 . 34792 1
72 . 1 . 1 11 11 LYS HG2 H 1 1.037 0.000 . 1 . . . . D 11 LYS HG2 . 34792 1
73 . 1 . 1 11 11 LYS HG3 H 1 1.451 0.000 . 1 . . . . D 11 LYS HG3 . 34792 1
74 . 1 . 1 11 11 LYS HD2 H 1 1.681 0.000 . 1 . . . . D 11 LYS HD2 . 34792 1
75 . 1 . 1 11 11 LYS HD3 H 1 1.588 0.000 . 1 . . . . D 11 LYS HD3 . 34792 1
76 . 1 . 1 11 11 LYS HE2 H 1 2.850 0.000 . 1 . . . . D 11 LYS HE2 . 34792 1
77 . 1 . 1 11 11 LYS HE3 H 1 2.974 0.000 . 1 . . . . D 11 LYS HE3 . 34792 1
78 . 1 . 1 11 11 LYS N N 15 119.320 0.000 . 1 . . . . D 11 LYS N . 34792 1
79 . 1 . 1 12 12 ASP H H 1 8.992 0.000 . 1 . . . . D 12 ASP H . 34792 1
80 . 1 . 1 12 12 ASP HA H 1 4.110 0.000 . 1 . . . . D 12 ASP HA . 34792 1
81 . 1 . 1 12 12 ASP HB2 H 1 2.623 0.000 . 1 . . . . D 12 ASP HB2 . 34792 1
82 . 1 . 1 12 12 ASP HB3 H 1 2.890 0.000 . 1 . . . . D 12 ASP HB3 . 34792 1
83 . 1 . 1 12 12 ASP N N 15 124.075 0.000 . 1 . . . . D 12 ASP N . 34792 1
84 . 1 . 1 13 13 ALA H H 1 8.290 0.000 . 1 . . . . D 13 ALA H . 34792 1
85 . 1 . 1 13 13 ALA HA H 1 4.222 0.000 . 1 . . . . D 13 ALA HA . 34792 1
86 . 1 . 1 13 13 ALA HB1 H 1 1.375 0.000 . 1 . . . . D 13 ALA HB1 . 34792 1
87 . 1 . 1 13 13 ALA HB2 H 1 1.375 0.000 . 1 . . . . D 13 ALA HB2 . 34792 1
88 . 1 . 1 13 13 ALA HB3 H 1 1.375 0.000 . 1 . . . . D 13 ALA HB3 . 34792 1
89 . 1 . 1 13 13 ALA N N 15 117.552 0.000 . 1 . . . . D 13 ALA N . 34792 1
90 . 1 . 1 14 14 ASP H H 1 8.035 0.000 . 1 . . . . D 14 ASP H . 34792 1
91 . 1 . 1 14 14 ASP HA H 1 5.053 0.000 . 1 . . . . D 14 ASP HA . 34792 1
92 . 1 . 1 14 14 ASP HB2 H 1 3.181 0.000 . 1 . . . . D 14 ASP HB2 . 34792 1
93 . 1 . 1 14 14 ASP HB3 H 1 2.813 0.000 . 1 . . . . D 14 ASP HB3 . 34792 1
94 . 1 . 1 14 14 ASP N N 15 118.013 0.000 . 1 . . . . D 14 ASP N . 34792 1
95 . 1 . 1 15 15 CYS H H 1 7.679 0.000 . 1 . . . . D 15 CYS H . 34792 1
96 . 1 . 1 15 15 CYS HA H 1 4.447 0.000 . 1 . . . . D 15 CYS HA . 34792 1
97 . 1 . 1 15 15 CYS HB2 H 1 2.826 0.000 . 1 . . . . D 15 CYS HB2 . 34792 1
98 . 1 . 1 15 15 CYS HB3 H 1 3.004 0.000 . 1 . . . . D 15 CYS HB3 . 34792 1
99 . 1 . 1 15 15 CYS N N 15 116.151 0.000 . 1 . . . . D 15 CYS N . 34792 1
100 . 1 . 1 16 16 CYS H H 1 9.013 0.000 . 1 . . . . D 16 CYS H . 34792 1
101 . 1 . 1 16 16 CYS HA H 1 4.637 0.000 . 1 . . . . D 16 CYS HA . 34792 1
102 . 1 . 1 16 16 CYS HB2 H 1 3.524 0.000 . 1 . . . . D 16 CYS HB2 . 34792 1
103 . 1 . 1 16 16 CYS HB3 H 1 2.549 0.000 . 1 . . . . D 16 CYS HB3 . 34792 1
104 . 1 . 1 16 16 CYS N N 15 119.226 0.000 . 1 . . . . D 16 CYS N . 34792 1
105 . 1 . 1 17 17 ALA H H 1 7.812 0.000 . 1 . . . . D 17 ALA H . 34792 1
106 . 1 . 1 17 17 ALA HA H 1 4.018 0.000 . 1 . . . . D 17 ALA HA . 34792 1
107 . 1 . 1 17 17 ALA HB1 H 1 1.159 0.000 . 1 . . . . D 17 ALA HB1 . 34792 1
108 . 1 . 1 17 17 ALA HB2 H 1 1.159 0.000 . 1 . . . . D 17 ALA HB2 . 34792 1
109 . 1 . 1 17 17 ALA HB3 H 1 1.159 0.000 . 1 . . . . D 17 ALA HB3 . 34792 1
110 . 1 . 1 17 17 ALA N N 15 118.864 0.000 . 1 . . . . D 17 ALA N . 34792 1
111 . 1 . 1 18 18 HIS H H 1 8.596 0.000 . 1 . . . . D 18 HIS H . 34792 1
112 . 1 . 1 18 18 HIS HA H 1 4.321 0.000 . 1 . . . . D 18 HIS HA . 34792 1
113 . 1 . 1 18 18 HIS HB2 H 1 3.604 0.000 . 1 . . . . D 18 HIS HB2 . 34792 1
114 . 1 . 1 18 18 HIS HB3 H 1 3.949 0.000 . 1 . . . . D 18 HIS HB3 . 34792 1
115 . 1 . 1 18 18 HIS HD2 H 1 7.253 0.000 . 1 . . . . D 18 HIS HD2 . 34792 1
116 . 1 . 1 18 18 HIS HE1 H 1 8.658 0.000 . 1 . . . . D 18 HIS HE1 . 34792 1
117 . 1 . 1 18 18 HIS N N 15 109.754 0.000 . 1 . . . . D 18 HIS N . 34792 1
118 . 1 . 1 19 19 LEU H H 1 7.720 0.000 . 1 . . . . D 19 LEU H . 34792 1
119 . 1 . 1 19 19 LEU HA H 1 5.136 0.000 . 1 . . . . D 19 LEU HA . 34792 1
120 . 1 . 1 19 19 LEU HB2 H 1 2.233 0.000 . 1 . . . . D 19 LEU HB2 . 34792 1
121 . 1 . 1 19 19 LEU HB3 H 1 0.991 0.000 . 1 . . . . D 19 LEU HB3 . 34792 1
122 . 1 . 1 19 19 LEU HG H 1 1.296 0.000 . 1 . . . . D 19 LEU HG . 34792 1
123 . 1 . 1 19 19 LEU HD11 H 1 0.616 0.000 . 1 . . . . D 19 LEU HD11 . 34792 1
124 . 1 . 1 19 19 LEU HD12 H 1 0.616 0.000 . 1 . . . . D 19 LEU HD12 . 34792 1
125 . 1 . 1 19 19 LEU HD13 H 1 0.616 0.000 . 1 . . . . D 19 LEU HD13 . 34792 1
126 . 1 . 1 19 19 LEU HD21 H 1 -0.275 0.000 . 1 . . . . D 19 LEU HD21 . 34792 1
127 . 1 . 1 19 19 LEU HD22 H 1 -0.275 0.000 . 1 . . . . D 19 LEU HD22 . 34792 1
128 . 1 . 1 19 19 LEU HD23 H 1 -0.275 0.000 . 1 . . . . D 19 LEU HD23 . 34792 1
129 . 1 . 1 19 19 LEU N N 15 118.164 0.000 . 1 . . . . D 19 LEU N . 34792 1
130 . 1 . 1 20 20 ALA H H 1 9.345 0.000 . 1 . . . . D 20 ALA H . 34792 1
131 . 1 . 1 20 20 ALA HA H 1 4.387 0.000 . 1 . . . . D 20 ALA HA . 34792 1
132 . 1 . 1 20 20 ALA HB1 H 1 1.226 0.000 . 1 . . . . D 20 ALA HB1 . 34792 1
133 . 1 . 1 20 20 ALA HB2 H 1 1.226 0.000 . 1 . . . . D 20 ALA HB2 . 34792 1
134 . 1 . 1 20 20 ALA HB3 H 1 1.226 0.000 . 1 . . . . D 20 ALA HB3 . 34792 1
135 . 1 . 1 20 20 ALA N N 15 122.545 0.000 . 1 . . . . D 20 ALA N . 34792 1
136 . 1 . 1 21 21 CYS H H 1 9.439 0.000 . 1 . . . . D 21 CYS H . 34792 1
137 . 1 . 1 21 21 CYS HA H 1 4.662 0.000 . 1 . . . . D 21 CYS HA . 34792 1
138 . 1 . 1 21 21 CYS HB2 H 1 2.543 0.000 . 1 . . . . D 21 CYS HB2 . 34792 1
139 . 1 . 1 21 21 CYS HB3 H 1 2.648 0.000 . 1 . . . . D 21 CYS HB3 . 34792 1
140 . 1 . 1 21 21 CYS N N 15 120.931 0.000 . 1 . . . . D 21 CYS N . 34792 1
141 . 1 . 1 22 22 ARG H H 1 8.007 0.000 . 1 . . . . D 22 ARG H . 34792 1
142 . 1 . 1 22 22 ARG HA H 1 3.999 0.000 . 1 . . . . D 22 ARG HA . 34792 1
143 . 1 . 1 22 22 ARG HB2 H 1 1.781 0.000 . 1 . . . . D 22 ARG HB2 . 34792 1
144 . 1 . 1 22 22 ARG HB3 H 1 1.965 0.000 . 1 . . . . D 22 ARG HB3 . 34792 1
145 . 1 . 1 22 22 ARG HG2 H 1 1.672 0.000 . 1 . . . . D 22 ARG HG2 . 34792 1
146 . 1 . 1 22 22 ARG HG3 H 1 1.671 0.000 . 1 . . . . D 22 ARG HG3 . 34792 1
147 . 1 . 1 22 22 ARG HD2 H 1 3.128 0.000 . 1 . . . . D 22 ARG HD2 . 34792 1
148 . 1 . 1 22 22 ARG HD3 H 1 3.128 0.000 . 1 . . . . D 22 ARG HD3 . 34792 1
149 . 1 . 1 22 22 ARG HE H 1 6.985 0.000 . 1 . . . . D 22 ARG HE . 34792 1
150 . 1 . 1 22 22 ARG N N 15 130.186 0.000 . 1 . . . . D 22 ARG N . 34792 1
151 . 1 . 1 23 23 LYS H H 1 8.439 0.000 . 1 . . . . D 23 LYS H . 34792 1
152 . 1 . 1 23 23 LYS HA H 1 3.971 0.000 . 1 . . . . D 23 LYS HA . 34792 1
153 . 1 . 1 23 23 LYS HB2 H 1 1.840 0.000 . 1 . . . . D 23 LYS HB2 . 34792 1
154 . 1 . 1 23 23 LYS HB3 H 1 1.621 0.000 . 1 . . . . D 23 LYS HB3 . 34792 1
155 . 1 . 1 23 23 LYS HG2 H 1 1.227 0.000 . 1 . . . . D 23 LYS HG2 . 34792 1
156 . 1 . 1 23 23 LYS HG3 H 1 1.227 0.000 . 1 . . . . D 23 LYS HG3 . 34792 1
157 . 1 . 1 23 23 LYS HD2 H 1 1.516 0.000 . 1 . . . . D 23 LYS HD2 . 34792 1
158 . 1 . 1 23 23 LYS HD3 H 1 1.465 0.000 . 1 . . . . D 23 LYS HD3 . 34792 1
159 . 1 . 1 23 23 LYS HE2 H 1 2.934 0.000 . 1 . . . . D 23 LYS HE2 . 34792 1
160 . 1 . 1 23 23 LYS HE3 H 1 2.934 0.000 . 1 . . . . D 23 LYS HE3 . 34792 1
161 . 1 . 1 23 23 LYS N N 15 122.291 0.000 . 1 . . . . D 23 LYS N . 34792 1
162 . 1 . 1 24 24 LYS H H 1 7.242 0.000 . 1 . . . . D 24 LYS H . 34792 1
163 . 1 . 1 24 24 LYS HA H 1 4.551 0.000 . 1 . . . . D 24 LYS HA . 34792 1
164 . 1 . 1 24 24 LYS HB2 H 1 1.549 0.000 . 1 . . . . D 24 LYS HB2 . 34792 1
165 . 1 . 1 24 24 LYS HB3 H 1 1.687 0.000 . 1 . . . . D 24 LYS HB3 . 34792 1
166 . 1 . 1 24 24 LYS HG2 H 1 1.370 0.000 . 1 . . . . D 24 LYS HG2 . 34792 1
167 . 1 . 1 24 24 LYS HG3 H 1 1.370 0.000 . 1 . . . . D 24 LYS HG3 . 34792 1
168 . 1 . 1 24 24 LYS HD2 H 1 1.679 0.000 . 1 . . . . D 24 LYS HD2 . 34792 1
169 . 1 . 1 24 24 LYS HD3 H 1 1.679 0.000 . 1 . . . . D 24 LYS HD3 . 34792 1
170 . 1 . 1 24 24 LYS HE2 H 1 3.004 0.000 . 1 . . . . D 24 LYS HE2 . 34792 1
171 . 1 . 1 24 24 LYS HE3 H 1 2.989 0.000 . 1 . . . . D 24 LYS HE3 . 34792 1
172 . 1 . 1 24 24 LYS N N 15 120.155 0.000 . 1 . . . . D 24 LYS N . 34792 1
173 . 1 . 1 25 25 TRP H H 1 8.603 0.000 . 1 . . . . D 25 TRP H . 34792 1
174 . 1 . 1 25 25 TRP HA H 1 3.440 0.000 . 1 . . . . D 25 TRP HA . 34792 1
175 . 1 . 1 25 25 TRP HB2 H 1 3.049 0.000 . 1 . . . . D 25 TRP HB2 . 34792 1
176 . 1 . 1 25 25 TRP HB3 H 1 3.049 0.000 . 1 . . . . D 25 TRP HB3 . 34792 1
177 . 1 . 1 25 25 TRP HD1 H 1 7.114 0.000 . 1 . . . . D 25 TRP HD1 . 34792 1
178 . 1 . 1 25 25 TRP HE1 H 1 10.174 0.000 . 1 . . . . D 25 TRP HE1 . 34792 1
179 . 1 . 1 25 25 TRP HE3 H 1 7.157 0.000 . 1 . . . . D 25 TRP HE3 . 34792 1
180 . 1 . 1 25 25 TRP HZ2 H 1 7.464 0.000 . 1 . . . . D 25 TRP HZ2 . 34792 1
181 . 1 . 1 25 25 TRP HZ3 H 1 7.060 0.000 . 1 . . . . D 25 TRP HZ3 . 34792 1
182 . 1 . 1 25 25 TRP HH2 H 1 7.200 0.000 . 1 . . . . D 25 TRP HH2 . 34792 1
183 . 1 . 1 25 25 TRP N N 15 124.945 0.000 . 1 . . . . D 25 TRP N . 34792 1
184 . 1 . 1 26 26 PRO HA H 1 2.790 0.000 . 1 . . . . D 26 PRO HA . 34792 1
185 . 1 . 1 26 26 PRO HB2 H 1 0.785 0.000 . 1 . . . . D 26 PRO HB2 . 34792 1
186 . 1 . 1 26 26 PRO HB3 H 1 1.220 0.000 . 1 . . . . D 26 PRO HB3 . 34792 1
187 . 1 . 1 26 26 PRO HG2 H 1 1.104 0.000 . 1 . . . . D 26 PRO HG2 . 34792 1
188 . 1 . 1 26 26 PRO HG3 H 1 1.362 0.000 . 1 . . . . D 26 PRO HG3 . 34792 1
189 . 1 . 1 26 26 PRO HD2 H 1 3.210 0.000 . 1 . . . . D 26 PRO HD2 . 34792 1
190 . 1 . 1 26 26 PRO HD3 H 1 2.965 0.000 . 1 . . . . D 26 PRO HD3 . 34792 1
191 . 1 . 1 27 27 TYR H H 1 7.668 0.000 . 1 . . . . D 27 TYR H . 34792 1
192 . 1 . 1 27 27 TYR HA H 1 4.364 0.000 . 1 . . . . D 27 TYR HA . 34792 1
193 . 1 . 1 27 27 TYR HB2 H 1 3.133 0.000 . 1 . . . . D 27 TYR HB2 . 34792 1
194 . 1 . 1 27 27 TYR HB3 H 1 3.197 0.000 . 1 . . . . D 27 TYR HB3 . 34792 1
195 . 1 . 1 27 27 TYR HD1 H 1 7.139 0.000 . 1 . . . . D 27 TYR HD1 . 34792 1
196 . 1 . 1 27 27 TYR HD2 H 1 7.139 0.000 . 1 . . . . D 27 TYR HD2 . 34792 1
197 . 1 . 1 27 27 TYR HE1 H 1 6.845 0.000 . 1 . . . . D 27 TYR HE1 . 34792 1
198 . 1 . 1 27 27 TYR HE2 H 1 6.845 0.000 . 1 . . . . D 27 TYR HE2 . 34792 1
199 . 1 . 1 27 27 TYR N N 15 123.641 0.000 . 1 . . . . D 27 TYR N . 34792 1
200 . 1 . 1 28 28 HIS H H 1 6.998 0.000 . 1 . . . . D 28 HIS H . 34792 1
201 . 1 . 1 28 28 HIS HA H 1 5.448 0.000 . 1 . . . . D 28 HIS HA . 34792 1
202 . 1 . 1 28 28 HIS HB2 H 1 2.518 0.000 . 1 . . . . D 28 HIS HB2 . 34792 1
203 . 1 . 1 28 28 HIS HB3 H 1 2.820 0.000 . 1 . . . . D 28 HIS HB3 . 34792 1
204 . 1 . 1 28 28 HIS HD2 H 1 6.545 0.000 . 1 . . . . D 28 HIS HD2 . 34792 1
205 . 1 . 1 28 28 HIS HE1 H 1 8.136 0.000 . 1 . . . . D 28 HIS HE1 . 34792 1
206 . 1 . 1 28 28 HIS N N 15 117.754 0.000 . 1 . . . . D 28 HIS N . 34792 1
207 . 1 . 1 29 29 CYS H H 1 9.006 0.000 . 1 . . . . D 29 CYS H . 34792 1
208 . 1 . 1 29 29 CYS HA H 1 5.052 0.000 . 1 . . . . D 29 CYS HA . 34792 1
209 . 1 . 1 29 29 CYS HB2 H 1 2.672 0.000 . 1 . . . . D 29 CYS HB2 . 34792 1
210 . 1 . 1 29 29 CYS HB3 H 1 2.910 0.000 . 1 . . . . D 29 CYS HB3 . 34792 1
211 . 1 . 1 29 29 CYS N N 15 120.524 0.000 . 1 . . . . D 29 CYS N . 34792 1
212 . 1 . 1 30 30 VAL H H 1 9.685 0.000 . 1 . . . . D 30 VAL H . 34792 1
213 . 1 . 1 30 30 VAL HA H 1 4.676 0.000 . 1 . . . . D 30 VAL HA . 34792 1
214 . 1 . 1 30 30 VAL HB H 1 2.330 0.000 . 1 . . . . D 30 VAL HB . 34792 1
215 . 1 . 1 30 30 VAL HG11 H 1 0.914 0.000 . 1 . . . . D 30 VAL HG11 . 34792 1
216 . 1 . 1 30 30 VAL HG12 H 1 0.914 0.000 . 1 . . . . D 30 VAL HG12 . 34792 1
217 . 1 . 1 30 30 VAL HG13 H 1 0.914 0.000 . 1 . . . . D 30 VAL HG13 . 34792 1
218 . 1 . 1 30 30 VAL HG21 H 1 0.734 0.000 . 1 . . . . D 30 VAL HG21 . 34792 1
219 . 1 . 1 30 30 VAL HG22 H 1 0.734 0.000 . 1 . . . . D 30 VAL HG22 . 34792 1
220 . 1 . 1 30 30 VAL HG23 H 1 0.734 0.000 . 1 . . . . D 30 VAL HG23 . 34792 1
221 . 1 . 1 30 30 VAL N N 15 118.082 0.000 . 1 . . . . D 30 VAL N . 34792 1
222 . 1 . 1 31 31 TRP H H 1 7.399 0.000 . 1 . . . . D 31 TRP H . 34792 1
223 . 1 . 1 31 31 TRP HA H 1 4.701 0.000 . 1 . . . . D 31 TRP HA . 34792 1
224 . 1 . 1 31 31 TRP HB2 H 1 1.971 0.000 . 1 . . . . D 31 TRP HB2 . 34792 1
225 . 1 . 1 31 31 TRP HB3 H 1 2.232 0.000 . 1 . . . . D 31 TRP HB3 . 34792 1
226 . 1 . 1 31 31 TRP HD1 H 1 6.840 0.000 . 1 . . . . D 31 TRP HD1 . 34792 1
227 . 1 . 1 31 31 TRP HE1 H 1 8.334 0.000 . 1 . . . . D 31 TRP HE1 . 34792 1
228 . 1 . 1 31 31 TRP HE3 H 1 7.608 0.000 . 1 . . . . D 31 TRP HE3 . 34792 1
229 . 1 . 1 31 31 TRP HZ2 H 1 6.970 0.000 . 1 . . . . D 31 TRP HZ2 . 34792 1
230 . 1 . 1 31 31 TRP HZ3 H 1 7.103 0.000 . 1 . . . . D 31 TRP HZ3 . 34792 1
231 . 1 . 1 31 31 TRP HH2 H 1 7.160 0.000 . 1 . . . . D 31 TRP HH2 . 34792 1
232 . 1 . 1 31 31 TRP N N 15 121.235 0.000 . 1 . . . . D 31 TRP N . 34792 1
233 . 1 . 1 32 32 ASP H H 1 9.104 0.000 . 1 . . . . D 32 ASP H . 34792 1
234 . 1 . 1 32 32 ASP HA H 1 4.178 0.000 . 1 . . . . D 32 ASP HA . 34792 1
235 . 1 . 1 32 32 ASP HB2 H 1 2.802 0.000 . 1 . . . . D 32 ASP HB2 . 34792 1
236 . 1 . 1 32 32 ASP HB3 H 1 2.353 0.000 . 1 . . . . D 32 ASP HB3 . 34792 1
237 . 1 . 1 32 32 ASP N N 15 124.111 0.000 . 1 . . . . D 32 ASP N . 34792 1
238 . 1 . 1 33 33 TRP H H 1 7.620 0.000 . 1 . . . . D 33 TRP H . 34792 1
239 . 1 . 1 33 33 TRP HA H 1 4.890 0.000 . 1 . . . . D 33 TRP HA . 34792 1
240 . 1 . 1 33 33 TRP HB2 H 1 3.381 0.000 . 1 . . . . D 33 TRP HB2 . 34792 1
241 . 1 . 1 33 33 TRP HB3 H 1 3.479 0.000 . 1 . . . . D 33 TRP HB3 . 34792 1
242 . 1 . 1 33 33 TRP HD1 H 1 7.223 0.000 . 1 . . . . D 33 TRP HD1 . 34792 1
243 . 1 . 1 33 33 TRP HE1 H 1 9.984 0.000 . 1 . . . . D 33 TRP HE1 . 34792 1
244 . 1 . 1 33 33 TRP HE3 H 1 7.771 0.000 . 1 . . . . D 33 TRP HE3 . 34792 1
245 . 1 . 1 33 33 TRP HZ2 H 1 6.837 0.000 . 1 . . . . D 33 TRP HZ2 . 34792 1
246 . 1 . 1 33 33 TRP HZ3 H 1 7.000 0.000 . 1 . . . . D 33 TRP HZ3 . 34792 1
247 . 1 . 1 33 33 TRP HH2 H 1 6.630 0.000 . 1 . . . . D 33 TRP HH2 . 34792 1
248 . 1 . 1 33 33 TRP N N 15 118.294 0.000 . 1 . . . . D 33 TRP N . 34792 1
249 . 1 . 1 34 34 THR H H 1 8.072 0.000 . 1 . . . . D 34 THR H . 34792 1
250 . 1 . 1 34 34 THR HA H 1 4.473 0.000 . 1 . . . . D 34 THR HA . 34792 1
251 . 1 . 1 34 34 THR HB H 1 4.302 0.000 . 1 . . . . D 34 THR HB . 34792 1
252 . 1 . 1 34 34 THR HG21 H 1 0.951 0.000 . 1 . . . . D 34 THR HG21 . 34792 1
253 . 1 . 1 34 34 THR HG22 H 1 0.951 0.000 . 1 . . . . D 34 THR HG22 . 34792 1
254 . 1 . 1 34 34 THR HG23 H 1 0.951 0.000 . 1 . . . . D 34 THR HG23 . 34792 1
255 . 1 . 1 34 34 THR N N 15 113.636 0.000 . 1 . . . . D 34 THR N . 34792 1
256 . 1 . 1 35 35 VAL H H 1 7.213 0.000 . 1 . . . . D 35 VAL H . 34792 1
257 . 1 . 1 35 35 VAL HA H 1 4.024 0.000 . 1 . . . . D 35 VAL HA . 34792 1
258 . 1 . 1 35 35 VAL HB H 1 2.065 0.000 . 1 . . . . D 35 VAL HB . 34792 1
259 . 1 . 1 35 35 VAL HG11 H 1 0.834 0.000 . 1 . . . . D 35 VAL HG11 . 34792 1
260 . 1 . 1 35 35 VAL HG12 H 1 0.834 0.000 . 1 . . . . D 35 VAL HG12 . 34792 1
261 . 1 . 1 35 35 VAL HG13 H 1 0.834 0.000 . 1 . . . . D 35 VAL HG13 . 34792 1
262 . 1 . 1 35 35 VAL HG21 H 1 0.834 0.000 . 1 . . . . D 35 VAL HG21 . 34792 1
263 . 1 . 1 35 35 VAL HG22 H 1 0.834 0.000 . 1 . . . . D 35 VAL HG22 . 34792 1
264 . 1 . 1 35 35 VAL HG23 H 1 0.834 0.000 . 1 . . . . D 35 VAL HG23 . 34792 1
265 . 1 . 1 35 35 VAL N N 15 124.423 0.000 . 1 . . . . D 35 VAL N . 34792 1
stop_
save_