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 34791
_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' . . . 34791 1
2 '2D 1H-1H NOESY' . . . 34791 1
3 '2D 1H-1H COSY' . . . 34791 1
4 '2D 1H-15N HSQC' . . . 34791 1
5 '2D 1H-13C HSQC' . . . 34791 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 4.172 0.000 . 1 . . . . B 1 ALA HA . 34791 1
2 . 1 . 1 1 1 ALA HB1 H 1 1.575 0.000 . 1 . . . . B 1 ALA HB1 . 34791 1
3 . 1 . 1 1 1 ALA HB2 H 1 1.575 0.000 . 1 . . . . B 1 ALA HB2 . 34791 1
4 . 1 . 1 1 1 ALA HB3 H 1 1.575 0.000 . 1 . . . . B 1 ALA HB3 . 34791 1
5 . 1 . 1 2 2 CYS H H 1 8.614 0.000 . 1 . . . . B 2 CYS H . 34791 1
6 . 1 . 1 2 2 CYS HA H 1 4.689 0.000 . 1 . . . . B 2 CYS HA . 34791 1
7 . 1 . 1 2 2 CYS HB2 H 1 3.161 0.000 . 1 . . . . B 2 CYS HB2 . 34791 1
8 . 1 . 1 2 2 CYS HB3 H 1 2.844 0.000 . 1 . . . . B 2 CYS HB3 . 34791 1
9 . 1 . 1 2 2 CYS N N 15 117.572 0.000 . 1 . . . . B 2 CYS N . 34791 1
10 . 1 . 1 3 3 ARG H H 1 9.208 0.000 . 1 . . . . B 3 ARG H . 34791 1
11 . 1 . 1 3 3 ARG HA H 1 4.454 0.000 . 1 . . . . B 3 ARG HA . 34791 1
12 . 1 . 1 3 3 ARG HB2 H 1 1.966 0.000 . 1 . . . . B 3 ARG HB2 . 34791 1
13 . 1 . 1 3 3 ARG HB3 H 1 1.665 0.000 . 1 . . . . B 3 ARG HB3 . 34791 1
14 . 1 . 1 3 3 ARG HG2 H 1 2.039 0.000 . 1 . . . . B 3 ARG HG2 . 34791 1
15 . 1 . 1 3 3 ARG HG3 H 1 1.783 0.000 . 1 . . . . B 3 ARG HG3 . 34791 1
16 . 1 . 1 3 3 ARG HD2 H 1 3.259 0.000 . 1 . . . . B 3 ARG HD2 . 34791 1
17 . 1 . 1 3 3 ARG HD3 H 1 3.259 0.000 . 1 . . . . B 3 ARG HD3 . 34791 1
18 . 1 . 1 3 3 ARG HE H 1 7.243 0.000 . 1 . . . . B 3 ARG HE . 34791 1
19 . 1 . 1 3 3 ARG N N 15 121.675 0.000 . 1 . . . . B 3 ARG N . 34791 1
20 . 1 . 1 4 4 GLU H H 1 8.318 0.000 . 1 . . . . B 4 GLU H . 34791 1
21 . 1 . 1 4 4 GLU HA H 1 4.094 0.000 . 1 . . . . B 4 GLU HA . 34791 1
22 . 1 . 1 4 4 GLU HB2 H 1 2.322 0.000 . 1 . . . . B 4 GLU HB2 . 34791 1
23 . 1 . 1 4 4 GLU HB3 H 1 1.890 0.000 . 1 . . . . B 4 GLU HB3 . 34791 1
24 . 1 . 1 4 4 GLU HG2 H 1 2.455 0.000 . 1 . . . . B 4 GLU HG2 . 34791 1
25 . 1 . 1 4 4 GLU HG3 H 1 2.326 0.000 . 1 . . . . B 4 GLU HG3 . 34791 1
26 . 1 . 1 4 4 GLU N N 15 121.407 0.000 . 1 . . . . B 4 GLU N . 34791 1
27 . 1 . 1 5 5 TRP H H 1 8.095 0.000 . 1 . . . . B 5 TRP H . 34791 1
28 . 1 . 1 5 5 TRP HA H 1 3.561 0.000 . 1 . . . . B 5 TRP HA . 34791 1
29 . 1 . 1 5 5 TRP HB2 H 1 2.623 0.000 . 1 . . . . B 5 TRP HB2 . 34791 1
30 . 1 . 1 5 5 TRP HB3 H 1 3.057 0.000 . 1 . . . . B 5 TRP HB3 . 34791 1
31 . 1 . 1 5 5 TRP HD1 H 1 6.479 0.000 . 1 . . . . B 5 TRP HD1 . 34791 1
32 . 1 . 1 5 5 TRP HE1 H 1 10.375 0.000 . 1 . . . . B 5 TRP HE1 . 34791 1
33 . 1 . 1 5 5 TRP HE3 H 1 7.488 0.000 . 1 . . . . B 5 TRP HE3 . 34791 1
34 . 1 . 1 5 5 TRP HZ2 H 1 7.584 0.000 . 1 . . . . B 5 TRP HZ2 . 34791 1
35 . 1 . 1 5 5 TRP HZ3 H 1 7.174 0.000 . 1 . . . . B 5 TRP HZ3 . 34791 1
36 . 1 . 1 5 5 TRP HH2 H 1 7.299 0.000 . 1 . . . . B 5 TRP HH2 . 34791 1
37 . 1 . 1 5 5 TRP N N 15 120.004 0.000 . 1 . . . . B 5 TRP N . 34791 1
38 . 1 . 1 6 6 LEU H H 1 8.452 0.000 . 1 . . . . B 6 LEU H . 34791 1
39 . 1 . 1 6 6 LEU HA H 1 2.993 0.000 . 1 . . . . B 6 LEU HA . 34791 1
40 . 1 . 1 6 6 LEU HB2 H 1 1.482 0.000 . 1 . . . . B 6 LEU HB2 . 34791 1
41 . 1 . 1 6 6 LEU HB3 H 1 0.914 0.000 . 1 . . . . B 6 LEU HB3 . 34791 1
42 . 1 . 1 6 6 LEU HG H 1 -0.107 0.000 . 1 . . . . B 6 LEU HG . 34791 1
43 . 1 . 1 6 6 LEU HD11 H 1 -0.529 0.000 . 1 . . . . B 6 LEU HD11 . 34791 1
44 . 1 . 1 6 6 LEU HD12 H 1 -0.529 0.000 . 1 . . . . B 6 LEU HD12 . 34791 1
45 . 1 . 1 6 6 LEU HD13 H 1 -0.529 0.000 . 1 . . . . B 6 LEU HD13 . 34791 1
46 . 1 . 1 6 6 LEU HD21 H 1 -0.111 0.000 . 1 . . . . B 6 LEU HD21 . 34791 1
47 . 1 . 1 6 6 LEU HD22 H 1 -0.111 0.000 . 1 . . . . B 6 LEU HD22 . 34791 1
48 . 1 . 1 6 6 LEU HD23 H 1 -0.111 0.000 . 1 . . . . B 6 LEU HD23 . 34791 1
49 . 1 . 1 6 6 LEU N N 15 121.572 0.000 . 1 . . . . B 6 LEU N . 34791 1
50 . 1 . 1 7 7 GLY H H 1 8.995 0.000 . 1 . . . . B 7 GLY H . 34791 1
51 . 1 . 1 7 7 GLY HA2 H 1 4.009 0.000 . 1 . . . . B 7 GLY HA2 . 34791 1
52 . 1 . 1 7 7 GLY HA3 H 1 3.411 0.000 . 1 . . . . B 7 GLY HA3 . 34791 1
53 . 1 . 1 7 7 GLY N N 15 110.109 0.000 . 1 . . . . B 7 GLY N . 34791 1
54 . 1 . 1 8 8 GLY H H 1 8.572 0.000 . 1 . . . . B 8 GLY H . 34791 1
55 . 1 . 1 8 8 GLY HA2 H 1 4.217 0.000 . 1 . . . . B 8 GLY HA2 . 34791 1
56 . 1 . 1 8 8 GLY HA3 H 1 3.734 0.000 . 1 . . . . B 8 GLY HA3 . 34791 1
57 . 1 . 1 8 8 GLY N N 15 109.481 0.000 . 1 . . . . B 8 GLY N . 34791 1
58 . 1 . 1 9 9 CYS H H 1 7.499 0.000 . 1 . . . . B 9 CYS H . 34791 1
59 . 1 . 1 9 9 CYS HA H 1 4.932 0.000 . 1 . . . . B 9 CYS HA . 34791 1
60 . 1 . 1 9 9 CYS HB2 H 1 3.214 0.000 . 1 . . . . B 9 CYS HB2 . 34791 1
61 . 1 . 1 9 9 CYS HB3 H 1 3.214 0.000 . 1 . . . . B 9 CYS HB3 . 34791 1
62 . 1 . 1 9 9 CYS N N 15 114.492 0.000 . 1 . . . . B 9 CYS N . 34791 1
63 . 1 . 1 10 10 SER H H 1 9.615 0.000 . 1 . . . . B 10 SER H . 34791 1
64 . 1 . 1 10 10 SER HA H 1 4.618 0.000 . 1 . . . . B 10 SER HA . 34791 1
65 . 1 . 1 10 10 SER HB2 H 1 3.851 0.000 . 1 . . . . B 10 SER HB2 . 34791 1
66 . 1 . 1 10 10 SER HB3 H 1 3.851 0.000 . 1 . . . . B 10 SER HB3 . 34791 1
67 . 1 . 1 11 11 LYS H H 1 7.992 0.000 . 1 . . . . B 11 LYS H . 34791 1
68 . 1 . 1 11 11 LYS HA H 1 4.646 0.000 . 1 . . . . B 11 LYS HA . 34791 1
69 . 1 . 1 11 11 LYS HB2 H 1 1.984 0.000 . 1 . . . . B 11 LYS HB2 . 34791 1
70 . 1 . 1 11 11 LYS HB3 H 1 1.867 0.000 . 1 . . . . B 11 LYS HB3 . 34791 1
71 . 1 . 1 11 11 LYS HG2 H 1 1.039 0.000 . 1 . . . . B 11 LYS HG2 . 34791 1
72 . 1 . 1 11 11 LYS HG3 H 1 1.457 0.000 . 1 . . . . B 11 LYS HG3 . 34791 1
73 . 1 . 1 11 11 LYS HD2 H 1 1.685 0.000 . 1 . . . . B 11 LYS HD2 . 34791 1
74 . 1 . 1 11 11 LYS HD3 H 1 1.597 0.000 . 1 . . . . B 11 LYS HD3 . 34791 1
75 . 1 . 1 11 11 LYS HE2 H 1 2.983 0.000 . 1 . . . . B 11 LYS HE2 . 34791 1
76 . 1 . 1 11 11 LYS HE3 H 1 2.861 0.000 . 1 . . . . B 11 LYS HE3 . 34791 1
77 . 1 . 1 11 11 LYS HZ1 H 1 7.602 0.000 . 1 . . . . B 11 LYS HZ1 . 34791 1
78 . 1 . 1 11 11 LYS HZ2 H 1 7.602 0.000 . 1 . . . . B 11 LYS HZ2 . 34791 1
79 . 1 . 1 11 11 LYS HZ3 H 1 7.602 0.000 . 1 . . . . B 11 LYS HZ3 . 34791 1
80 . 1 . 1 11 11 LYS N N 15 119.265 0.000 . 1 . . . . B 11 LYS N . 34791 1
81 . 1 . 1 12 12 ASP H H 1 9.001 0.000 . 1 . . . . B 12 ASP H . 34791 1
82 . 1 . 1 12 12 ASP HA H 1 4.117 0.000 . 1 . . . . B 12 ASP HA . 34791 1
83 . 1 . 1 12 12 ASP HB2 H 1 2.899 0.000 . 1 . . . . B 12 ASP HB2 . 34791 1
84 . 1 . 1 12 12 ASP HB3 H 1 2.631 0.000 . 1 . . . . B 12 ASP HB3 . 34791 1
85 . 1 . 1 12 12 ASP N N 15 123.997 0.000 . 1 . . . . B 12 ASP N . 34791 1
86 . 1 . 1 13 13 ALA H H 1 8.315 0.000 . 1 . . . . B 13 ALA H . 34791 1
87 . 1 . 1 13 13 ALA HA H 1 4.238 0.000 . 1 . . . . B 13 ALA HA . 34791 1
88 . 1 . 1 13 13 ALA HB1 H 1 1.382 0.000 . 1 . . . . B 13 ALA HB1 . 34791 1
89 . 1 . 1 13 13 ALA HB2 H 1 1.382 0.000 . 1 . . . . B 13 ALA HB2 . 34791 1
90 . 1 . 1 13 13 ALA HB3 H 1 1.382 0.000 . 1 . . . . B 13 ALA HB3 . 34791 1
91 . 1 . 1 13 13 ALA N N 15 117.833 0.000 . 1 . . . . B 13 ALA N . 34791 1
92 . 1 . 1 14 14 ASP H H 1 8.008 0.000 . 1 . . . . B 14 ASP H . 34791 1
93 . 1 . 1 14 14 ASP HA H 1 5.061 0.000 . 1 . . . . B 14 ASP HA . 34791 1
94 . 1 . 1 14 14 ASP HB2 H 1 2.774 0.000 . 1 . . . . B 14 ASP HB2 . 34791 1
95 . 1 . 1 14 14 ASP HB3 H 1 3.134 0.000 . 1 . . . . B 14 ASP HB3 . 34791 1
96 . 1 . 1 14 14 ASP N N 15 117.902 0.000 . 1 . . . . B 14 ASP N . 34791 1
97 . 1 . 1 15 15 CYS H H 1 7.685 0.000 . 1 . . . . B 15 CYS H . 34791 1
98 . 1 . 1 15 15 CYS HA H 1 4.453 0.000 . 1 . . . . B 15 CYS HA . 34791 1
99 . 1 . 1 15 15 CYS HB2 H 1 2.833 0.000 . 1 . . . . B 15 CYS HB2 . 34791 1
100 . 1 . 1 15 15 CYS HB3 H 1 3.009 0.000 . 1 . . . . B 15 CYS HB3 . 34791 1
101 . 1 . 1 15 15 CYS N N 15 116.127 0.000 . 1 . . . . B 15 CYS N . 34791 1
102 . 1 . 1 16 16 CYS H H 1 9.097 0.000 . 1 . . . . B 16 CYS H . 34791 1
103 . 1 . 1 16 16 CYS HA H 1 4.613 0.000 . 1 . . . . B 16 CYS HA . 34791 1
104 . 1 . 1 16 16 CYS HB2 H 1 2.547 0.000 . 1 . . . . B 16 CYS HB2 . 34791 1
105 . 1 . 1 16 16 CYS HB3 H 1 3.494 0.000 . 1 . . . . B 16 CYS HB3 . 34791 1
106 . 1 . 1 16 16 CYS N N 15 119.917 0.000 . 1 . . . . B 16 CYS N . 34791 1
107 . 1 . 1 17 17 ALA H H 1 7.942 0.000 . 1 . . . . B 17 ALA H . 34791 1
108 . 1 . 1 17 17 ALA HA H 1 4.114 0.000 . 1 . . . . B 17 ALA HA . 34791 1
109 . 1 . 1 17 17 ALA HB1 H 1 1.441 0.000 . 1 . . . . B 17 ALA HB1 . 34791 1
110 . 1 . 1 17 17 ALA HB2 H 1 1.441 0.000 . 1 . . . . B 17 ALA HB2 . 34791 1
111 . 1 . 1 17 17 ALA HB3 H 1 1.441 0.000 . 1 . . . . B 17 ALA HB3 . 34791 1
112 . 1 . 1 17 17 ALA N N 15 119.924 0.000 . 1 . . . . B 17 ALA N . 34791 1
113 . 1 . 1 18 18 ALA H H 1 8.469 0.000 . 1 . . . . B 18 ALA H . 34791 1
114 . 1 . 1 18 18 ALA HA H 1 4.122 0.000 . 1 . . . . B 18 ALA HA . 34791 1
115 . 1 . 1 18 18 ALA HB1 H 1 1.858 0.000 . 1 . . . . B 18 ALA HB1 . 34791 1
116 . 1 . 1 18 18 ALA HB2 H 1 1.858 0.000 . 1 . . . . B 18 ALA HB2 . 34791 1
117 . 1 . 1 18 18 ALA HB3 H 1 1.858 0.000 . 1 . . . . B 18 ALA HB3 . 34791 1
118 . 1 . 1 18 18 ALA N N 15 117.427 0.000 . 1 . . . . B 18 ALA N . 34791 1
119 . 1 . 1 19 19 LEU H H 1 7.764 0.000 . 1 . . . . B 19 LEU H . 34791 1
120 . 1 . 1 19 19 LEU HA H 1 4.941 0.000 . 1 . . . . B 19 LEU HA . 34791 1
121 . 1 . 1 19 19 LEU HB2 H 1 1.008 0.000 . 1 . . . . B 19 LEU HB2 . 34791 1
122 . 1 . 1 19 19 LEU HB3 H 1 2.159 0.000 . 1 . . . . B 19 LEU HB3 . 34791 1
123 . 1 . 1 19 19 LEU HG H 1 1.234 0.000 . 1 . . . . B 19 LEU HG . 34791 1
124 . 1 . 1 19 19 LEU HD11 H 1 -0.340 0.000 . 1 . . . . B 19 LEU HD11 . 34791 1
125 . 1 . 1 19 19 LEU HD12 H 1 -0.340 0.000 . 1 . . . . B 19 LEU HD12 . 34791 1
126 . 1 . 1 19 19 LEU HD13 H 1 -0.340 0.000 . 1 . . . . B 19 LEU HD13 . 34791 1
127 . 1 . 1 19 19 LEU HD21 H 1 0.610 0.000 . 1 . . . . B 19 LEU HD21 . 34791 1
128 . 1 . 1 19 19 LEU HD22 H 1 0.610 0.000 . 1 . . . . B 19 LEU HD22 . 34791 1
129 . 1 . 1 19 19 LEU HD23 H 1 0.610 0.000 . 1 . . . . B 19 LEU HD23 . 34791 1
130 . 1 . 1 19 19 LEU N N 15 118.435 0.000 . 1 . . . . B 19 LEU N . 34791 1
131 . 1 . 1 20 20 GLU H H 1 9.174 0.000 . 1 . . . . B 20 GLU H . 34791 1
132 . 1 . 1 20 20 GLU HA H 1 4.460 0.000 . 1 . . . . B 20 GLU HA . 34791 1
133 . 1 . 1 20 20 GLU HB2 H 1 1.843 0.000 . 1 . . . . B 20 GLU HB2 . 34791 1
134 . 1 . 1 20 20 GLU HB3 H 1 1.982 0.000 . 1 . . . . B 20 GLU HB3 . 34791 1
135 . 1 . 1 20 20 GLU HG2 H 1 1.980 0.000 . 1 . . . . B 20 GLU HG2 . 34791 1
136 . 1 . 1 20 20 GLU HG3 H 1 2.170 0.000 . 1 . . . . B 20 GLU HG3 . 34791 1
137 . 1 . 1 20 20 GLU N N 15 116.693 0.000 . 1 . . . . B 20 GLU N . 34791 1
138 . 1 . 1 21 21 CYS H H 1 9.481 0.000 . 1 . . . . B 21 CYS H . 34791 1
139 . 1 . 1 21 21 CYS HA H 1 4.653 0.000 . 1 . . . . B 21 CYS HA . 34791 1
140 . 1 . 1 21 21 CYS HB2 H 1 2.648 0.000 . 1 . . . . B 21 CYS HB2 . 34791 1
141 . 1 . 1 21 21 CYS HB3 H 1 2.563 0.000 . 1 . . . . B 21 CYS HB3 . 34791 1
142 . 1 . 1 21 21 CYS N N 15 122.127 0.000 . 1 . . . . B 21 CYS N . 34791 1
143 . 1 . 1 22 22 ARG H H 1 7.998 0.000 . 1 . . . . B 22 ARG H . 34791 1
144 . 1 . 1 22 22 ARG HA H 1 4.021 0.000 . 1 . . . . B 22 ARG HA . 34791 1
145 . 1 . 1 22 22 ARG HB2 H 1 1.790 0.000 . 1 . . . . B 22 ARG HB2 . 34791 1
146 . 1 . 1 22 22 ARG HB3 H 1 1.925 0.000 . 1 . . . . B 22 ARG HB3 . 34791 1
147 . 1 . 1 22 22 ARG HG2 H 1 1.693 0.000 . 1 . . . . B 22 ARG HG2 . 34791 1
148 . 1 . 1 22 22 ARG HG3 H 1 1.693 0.000 . 1 . . . . B 22 ARG HG3 . 34791 1
149 . 1 . 1 22 22 ARG HD2 H 1 3.144 0.000 . 1 . . . . B 22 ARG HD2 . 34791 1
150 . 1 . 1 22 22 ARG HD3 H 1 2.893 0.000 . 1 . . . . B 22 ARG HD3 . 34791 1
151 . 1 . 1 22 22 ARG HE H 1 7.034 0.000 . 1 . . . . B 22 ARG HE . 34791 1
152 . 1 . 1 22 22 ARG N N 15 130.120 0.000 . 1 . . . . B 22 ARG N . 34791 1
153 . 1 . 1 23 23 LYS H H 1 8.313 0.000 . 1 . . . . B 23 LYS H . 34791 1
154 . 1 . 1 23 23 LYS HA H 1 3.906 0.000 . 1 . . . . B 23 LYS HA . 34791 1
155 . 1 . 1 23 23 LYS HB2 H 1 1.599 0.000 . 1 . . . . B 23 LYS HB2 . 34791 1
156 . 1 . 1 23 23 LYS HB3 H 1 1.780 0.000 . 1 . . . . B 23 LYS HB3 . 34791 1
157 . 1 . 1 23 23 LYS HG2 H 1 1.159 0.000 . 1 . . . . B 23 LYS HG2 . 34791 1
158 . 1 . 1 23 23 LYS HG3 H 1 1.159 0.000 . 1 . . . . B 23 LYS HG3 . 34791 1
159 . 1 . 1 23 23 LYS HD2 H 1 1.408 0.000 . 1 . . . . B 23 LYS HD2 . 34791 1
160 . 1 . 1 23 23 LYS HD3 H 1 1.408 0.000 . 1 . . . . B 23 LYS HD3 . 34791 1
161 . 1 . 1 23 23 LYS HE2 H 1 2.889 0.000 . 1 . . . . B 23 LYS HE2 . 34791 1
162 . 1 . 1 23 23 LYS HE3 H 1 2.889 0.000 . 1 . . . . B 23 LYS HE3 . 34791 1
163 . 1 . 1 23 23 LYS N N 15 123.486 0.000 . 1 . . . . B 23 LYS N . 34791 1
164 . 1 . 1 24 24 LYS H H 1 7.270 0.000 . 1 . . . . B 24 LYS H . 34791 1
165 . 1 . 1 24 24 LYS HA H 1 4.562 0.000 . 1 . . . . B 24 LYS HA . 34791 1
166 . 1 . 1 24 24 LYS HB2 H 1 1.695 0.000 . 1 . . . . B 24 LYS HB2 . 34791 1
167 . 1 . 1 24 24 LYS HB3 H 1 1.560 0.000 . 1 . . . . B 24 LYS HB3 . 34791 1
168 . 1 . 1 24 24 LYS HG2 H 1 1.378 0.000 . 1 . . . . B 24 LYS HG2 . 34791 1
169 . 1 . 1 24 24 LYS HG3 H 1 1.378 0.000 . 1 . . . . B 24 LYS HG3 . 34791 1
170 . 1 . 1 24 24 LYS HD2 H 1 1.702 0.000 . 1 . . . . B 24 LYS HD2 . 34791 1
171 . 1 . 1 24 24 LYS HD3 H 1 1.701 0.000 . 1 . . . . B 24 LYS HD3 . 34791 1
172 . 1 . 1 24 24 LYS HE2 H 1 3.007 0.000 . 1 . . . . B 24 LYS HE2 . 34791 1
173 . 1 . 1 24 24 LYS HE3 H 1 3.007 0.000 . 1 . . . . B 24 LYS HE3 . 34791 1
174 . 1 . 1 24 24 LYS N N 15 120.750 0.000 . 1 . . . . B 24 LYS N . 34791 1
175 . 1 . 1 25 25 TRP H H 1 8.689 0.000 . 1 . . . . B 25 TRP H . 34791 1
176 . 1 . 1 25 25 TRP HA H 1 3.541 0.000 . 1 . . . . B 25 TRP HA . 34791 1
177 . 1 . 1 25 25 TRP HB2 H 1 3.068 0.000 . 1 . . . . B 25 TRP HB2 . 34791 1
178 . 1 . 1 25 25 TRP HB3 H 1 3.068 0.000 . 1 . . . . B 25 TRP HB3 . 34791 1
179 . 1 . 1 25 25 TRP HD1 H 1 7.108 0.000 . 1 . . . . B 25 TRP HD1 . 34791 1
180 . 1 . 1 25 25 TRP HE1 H 1 10.171 0.000 . 1 . . . . B 25 TRP HE1 . 34791 1
181 . 1 . 1 25 25 TRP HE3 H 1 7.147 0.000 . 1 . . . . B 25 TRP HE3 . 34791 1
182 . 1 . 1 25 25 TRP HZ2 H 1 7.465 0.000 . 1 . . . . B 25 TRP HZ2 . 34791 1
183 . 1 . 1 25 25 TRP HZ3 H 1 7.046 0.000 . 1 . . . . B 25 TRP HZ3 . 34791 1
184 . 1 . 1 25 25 TRP HH2 H 1 7.192 0.000 . 1 . . . . B 25 TRP HH2 . 34791 1
185 . 1 . 1 25 25 TRP N N 15 125.326 0.000 . 1 . . . . B 25 TRP N . 34791 1
186 . 1 . 1 26 26 PRO HA H 1 2.814 0.000 . 1 . . . . B 26 PRO HA . 34791 1
187 . 1 . 1 26 26 PRO HB2 H 1 1.227 0.000 . 1 . . . . B 26 PRO HB2 . 34791 1
188 . 1 . 1 26 26 PRO HB3 H 1 0.817 0.000 . 1 . . . . B 26 PRO HB3 . 34791 1
189 . 1 . 1 26 26 PRO HG2 H 1 1.382 0.000 . 1 . . . . B 26 PRO HG2 . 34791 1
190 . 1 . 1 26 26 PRO HG3 H 1 1.128 0.000 . 1 . . . . B 26 PRO HG3 . 34791 1
191 . 1 . 1 26 26 PRO HD2 H 1 2.998 0.000 . 1 . . . . B 26 PRO HD2 . 34791 1
192 . 1 . 1 26 26 PRO HD3 H 1 3.242 0.000 . 1 . . . . B 26 PRO HD3 . 34791 1
193 . 1 . 1 27 27 TYR H H 1 7.678 0.000 . 1 . . . . B 27 TYR H . 34791 1
194 . 1 . 1 27 27 TYR HA H 1 4.409 0.000 . 1 . . . . B 27 TYR HA . 34791 1
195 . 1 . 1 27 27 TYR HB2 H 1 3.165 0.000 . 1 . . . . B 27 TYR HB2 . 34791 1
196 . 1 . 1 27 27 TYR HB3 H 1 3.162 0.000 . 1 . . . . B 27 TYR HB3 . 34791 1
197 . 1 . 1 27 27 TYR HD1 H 1 7.129 0.000 . 1 . . . . B 27 TYR HD1 . 34791 1
198 . 1 . 1 27 27 TYR HD2 H 1 7.129 0.000 . 1 . . . . B 27 TYR HD2 . 34791 1
199 . 1 . 1 27 27 TYR HE1 H 1 6.846 0.000 . 1 . . . . B 27 TYR HE1 . 34791 1
200 . 1 . 1 27 27 TYR HE2 H 1 6.846 0.000 . 1 . . . . B 27 TYR HE2 . 34791 1
201 . 1 . 1 27 27 TYR N N 15 124.013 0.000 . 1 . . . . B 27 TYR N . 34791 1
202 . 1 . 1 28 28 HIS H H 1 7.103 0.000 . 1 . . . . B 28 HIS H . 34791 1
203 . 1 . 1 28 28 HIS HA H 1 5.464 0.000 . 1 . . . . B 28 HIS HA . 34791 1
204 . 1 . 1 28 28 HIS HB2 H 1 2.536 0.000 . 1 . . . . B 28 HIS HB2 . 34791 1
205 . 1 . 1 28 28 HIS HB3 H 1 2.869 0.000 . 1 . . . . B 28 HIS HB3 . 34791 1
206 . 1 . 1 28 28 HIS HD2 H 1 6.607 0.000 . 1 . . . . B 28 HIS HD2 . 34791 1
207 . 1 . 1 28 28 HIS HE1 H 1 8.320 0.000 . 1 . . . . B 28 HIS HE1 . 34791 1
208 . 1 . 1 28 28 HIS N N 15 117.486 0.000 . 1 . . . . B 28 HIS N . 34791 1
209 . 1 . 1 29 29 CYS H H 1 8.999 0.000 . 1 . . . . B 29 CYS H . 34791 1
210 . 1 . 1 29 29 CYS HA H 1 5.062 0.000 . 1 . . . . B 29 CYS HA . 34791 1
211 . 1 . 1 29 29 CYS HB2 H 1 2.661 0.000 . 1 . . . . B 29 CYS HB2 . 34791 1
212 . 1 . 1 29 29 CYS HB3 H 1 2.905 0.000 . 1 . . . . B 29 CYS HB3 . 34791 1
213 . 1 . 1 29 29 CYS N N 15 120.786 0.000 . 1 . . . . B 29 CYS N . 34791 1
214 . 1 . 1 30 30 VAL H H 1 9.666 0.000 . 1 . . . . B 30 VAL H . 34791 1
215 . 1 . 1 30 30 VAL HA H 1 4.725 0.000 . 1 . . . . B 30 VAL HA . 34791 1
216 . 1 . 1 30 30 VAL HB H 1 2.416 0.000 . 1 . . . . B 30 VAL HB . 34791 1
217 . 1 . 1 30 30 VAL HG11 H 1 0.807 0.000 . 1 . . . . B 30 VAL HG11 . 34791 1
218 . 1 . 1 30 30 VAL HG12 H 1 0.807 0.000 . 1 . . . . B 30 VAL HG12 . 34791 1
219 . 1 . 1 30 30 VAL HG13 H 1 0.807 0.000 . 1 . . . . B 30 VAL HG13 . 34791 1
220 . 1 . 1 30 30 VAL HG21 H 1 0.921 0.000 . 1 . . . . B 30 VAL HG21 . 34791 1
221 . 1 . 1 30 30 VAL HG22 H 1 0.921 0.000 . 1 . . . . B 30 VAL HG22 . 34791 1
222 . 1 . 1 30 30 VAL HG23 H 1 0.921 0.000 . 1 . . . . B 30 VAL HG23 . 34791 1
223 . 1 . 1 31 31 TRP H H 1 7.296 0.000 . 1 . . . . B 31 TRP H . 34791 1
224 . 1 . 1 31 31 TRP HA H 1 4.775 0.000 . 1 . . . . B 31 TRP HA . 34791 1
225 . 1 . 1 31 31 TRP HB2 H 1 2.315 0.000 . 1 . . . . B 31 TRP HB2 . 34791 1
226 . 1 . 1 31 31 TRP HB3 H 1 2.315 0.000 . 1 . . . . B 31 TRP HB3 . 34791 1
227 . 1 . 1 31 31 TRP HD1 H 1 6.758 0.000 . 1 . . . . B 31 TRP HD1 . 34791 1
228 . 1 . 1 31 31 TRP HE1 H 1 8.453 0.000 . 1 . . . . B 31 TRP HE1 . 34791 1
229 . 1 . 1 31 31 TRP HE3 H 1 7.593 0.000 . 1 . . . . B 31 TRP HE3 . 34791 1
230 . 1 . 1 31 31 TRP HZ2 H 1 7.055 0.000 . 1 . . . . B 31 TRP HZ2 . 34791 1
231 . 1 . 1 31 31 TRP HZ3 H 1 7.132 0.000 . 1 . . . . B 31 TRP HZ3 . 34791 1
232 . 1 . 1 31 31 TRP HH2 H 1 7.300 0.000 . 1 . . . . B 31 TRP HH2 . 34791 1
233 . 1 . 1 31 31 TRP N N 15 120.443 0.000 . 1 . . . . B 31 TRP N . 34791 1
234 . 1 . 1 32 32 ASP H H 1 8.857 0.000 . 1 . . . . B 32 ASP H . 34791 1
235 . 1 . 1 32 32 ASP HA H 1 4.372 0.000 . 1 . . . . B 32 ASP HA . 34791 1
236 . 1 . 1 32 32 ASP HB2 H 1 2.562 0.000 . 1 . . . . B 32 ASP HB2 . 34791 1
237 . 1 . 1 32 32 ASP HB3 H 1 2.789 0.000 . 1 . . . . B 32 ASP HB3 . 34791 1
238 . 1 . 1 32 32 ASP N N 15 121.432 0.000 . 1 . . . . B 32 ASP N . 34791 1
239 . 1 . 1 33 33 TRP H H 1 7.419 0.000 . 1 . . . . B 33 TRP H . 34791 1
240 . 1 . 1 33 33 TRP HA H 1 4.800 0.000 . 1 . . . . B 33 TRP HA . 34791 1
241 . 1 . 1 33 33 TRP HB2 H 1 3.276 0.000 . 1 . . . . B 33 TRP HB2 . 34791 1
242 . 1 . 1 33 33 TRP HB3 H 1 3.496 0.000 . 1 . . . . B 33 TRP HB3 . 34791 1
243 . 1 . 1 33 33 TRP HD1 H 1 7.250 0.000 . 1 . . . . B 33 TRP HD1 . 34791 1
244 . 1 . 1 33 33 TRP HE1 H 1 9.924 0.000 . 1 . . . . B 33 TRP HE1 . 34791 1
245 . 1 . 1 33 33 TRP HE3 H 1 7.640 0.000 . 1 . . . . B 33 TRP HE3 . 34791 1
246 . 1 . 1 33 33 TRP HZ2 H 1 6.876 0.000 . 1 . . . . B 33 TRP HZ2 . 34791 1
247 . 1 . 1 33 33 TRP HZ3 H 1 7.142 0.000 . 1 . . . . B 33 TRP HZ3 . 34791 1
248 . 1 . 1 33 33 TRP HH2 H 1 7.141 0.000 . 1 . . . . B 33 TRP HH2 . 34791 1
249 . 1 . 1 33 33 TRP N N 15 116.542 0.000 . 1 . . . . B 33 TRP N . 34791 1
250 . 1 . 1 34 34 THR H H 1 7.830 0.000 . 1 . . . . B 34 THR H . 34791 1
251 . 1 . 1 34 34 THR HA H 1 4.293 0.000 . 1 . . . . B 34 THR HA . 34791 1
252 . 1 . 1 34 34 THR HB H 1 4.165 0.000 . 1 . . . . B 34 THR HB . 34791 1
253 . 1 . 1 34 34 THR HG21 H 1 1.003 0.000 . 1 . . . . B 34 THR HG21 . 34791 1
254 . 1 . 1 34 34 THR HG22 H 1 1.003 0.000 . 1 . . . . B 34 THR HG22 . 34791 1
255 . 1 . 1 34 34 THR HG23 H 1 1.003 0.000 . 1 . . . . B 34 THR HG23 . 34791 1
256 . 1 . 1 34 34 THR N N 15 115.948 0.000 . 1 . . . . B 34 THR N . 34791 1
257 . 1 . 1 35 35 VAL H H 1 7.641 0.000 . 1 . . . . B 35 VAL H . 34791 1
258 . 1 . 1 35 35 VAL HA H 1 3.994 0.000 . 1 . . . . B 35 VAL HA . 34791 1
259 . 1 . 1 35 35 VAL HB H 1 2.074 0.000 . 1 . . . . B 35 VAL HB . 34791 1
260 . 1 . 1 35 35 VAL HG11 H 1 0.903 0.000 . 1 . . . . B 35 VAL HG11 . 34791 1
261 . 1 . 1 35 35 VAL HG12 H 1 0.903 0.000 . 1 . . . . B 35 VAL HG12 . 34791 1
262 . 1 . 1 35 35 VAL HG13 H 1 0.903 0.000 . 1 . . . . B 35 VAL HG13 . 34791 1
263 . 1 . 1 35 35 VAL HG21 H 1 0.903 0.000 . 1 . . . . B 35 VAL HG21 . 34791 1
264 . 1 . 1 35 35 VAL HG22 H 1 0.903 0.000 . 1 . . . . B 35 VAL HG22 . 34791 1
265 . 1 . 1 35 35 VAL HG23 H 1 0.903 0.000 . 1 . . . . B 35 VAL HG23 . 34791 1
266 . 1 . 1 35 35 VAL N N 15 126.716 0.000 . 1 . . . . B 35 VAL N . 34791 1
stop_
save_