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 36115
_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 NOESY' 2 $sample_2 isotropic 36115 1
2 '3D 1H-15N TOCSY' 1 $sample_1 isotropic 36115 1
3 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36115 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.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 SER H H 1 8.133 0.00 . 1 . . . . A 8 SER H1 . 36115 1
2 . 1 1 1 1 SER HA H 1 4.490 0.00 . 1 . . . . A 8 SER HA . 36115 1
3 . 1 1 1 1 SER HB3 H 1 3.807 0.00 . 2 . . . . A 8 SER HB3 . 36115 1
4 . 1 1 1 1 SER N N 15 114.007 0.01 . 1 . . . . A 8 SER N . 36115 1
5 . 1 1 2 2 GLY H H 1 8.122 0.00 . 1 . . . . A 9 GLY H . 36115 1
6 . 1 1 2 2 GLY HA3 H 1 4.092 0.00 . 2 . . . . A 9 GLY HA3 . 36115 1
7 . 1 1 2 2 GLY N N 15 110.144 0.00 . 1 . . . . A 9 GLY N . 36115 1
8 . 1 1 3 3 PRO HA H 1 4.461 0.00 . 1 . . . . A 10 PRO HA . 36115 1
9 . 1 1 3 3 PRO HB2 H 1 2.265 0.00 . 2 . . . . A 10 PRO HB2 . 36115 1
10 . 1 1 3 3 PRO HB3 H 1 1.917 0.00 . 2 . . . . A 10 PRO HB3 . 36115 1
11 . 1 1 3 3 PRO HD2 H 1 3.571 0.00 . 2 . . . . A 10 PRO HD2 . 36115 1
12 . 1 1 3 3 PRO HD3 H 1 3.470 0.10 . 2 . . . . A 10 PRO HD3 . 36115 1
13 . 1 1 4 4 LEU H H 1 8.648 0.00 . 1 . . . . A 11 LEU H . 36115 1
14 . 1 1 4 4 LEU HA H 1 4.150 0.00 . 1 . . . . A 11 LEU HA . 36115 1
15 . 1 1 4 4 LEU HB2 H 1 1.786 0.01 . 2 . . . . A 11 LEU HB2 . 36115 1
16 . 1 1 4 4 LEU HB3 H 1 1.366 0.01 . 2 . . . . A 11 LEU HB3 . 36115 1
17 . 1 1 4 4 LEU HD11 H 1 0.766 0.01 . 2 . . . . A 11 LEU HD11 . 36115 1
18 . 1 1 4 4 LEU HD12 H 1 0.766 0.01 . 2 . . . . A 11 LEU HD12 . 36115 1
19 . 1 1 4 4 LEU HD13 H 1 0.766 0.01 . 2 . . . . A 11 LEU HD13 . 36115 1
20 . 1 1 4 4 LEU HD21 H 1 1.058 0.00 . 2 . . . . A 11 LEU HD21 . 36115 1
21 . 1 1 4 4 LEU HD22 H 1 1.058 0.00 . 2 . . . . A 11 LEU HD22 . 36115 1
22 . 1 1 4 4 LEU HD23 H 1 1.058 0.00 . 2 . . . . A 11 LEU HD23 . 36115 1
23 . 1 1 4 4 LEU N N 15 122.191 0.00 . 1 . . . . A 11 LEU N . 36115 1
24 . 1 1 5 5 PRO HA H 1 4.461 0.00 . 1 . . . . A 12 PRO HA . 36115 1
25 . 1 1 5 5 PRO HB2 H 1 2.417 0.01 . 2 . . . . A 12 PRO HB2 . 36115 1
26 . 1 1 5 5 PRO HB3 H 1 1.986 0.00 . 2 . . . . A 12 PRO HB3 . 36115 1
27 . 1 1 5 5 PRO HG2 H 1 1.543 0.00 . 2 . . . . A 12 PRO HG2 . 36115 1
28 . 1 1 5 5 PRO HD2 H 1 3.365 0.00 . 2 . . . . A 12 PRO HD2 . 36115 1
29 . 1 1 5 5 PRO HD3 H 1 2.901 0.00 . 2 . . . . A 12 PRO HD3 . 36115 1
30 . 1 1 6 6 ASP H H 1 8.378 0.00 . 1 . . . . A 13 ASP H . 36115 1
31 . 1 1 6 6 ASP HA H 1 4.416 0.00 . 1 . . . . A 13 ASP HA . 36115 1
32 . 1 1 6 6 ASP HB2 H 1 2.699 0.00 . 2 . . . . A 13 ASP HB2 . 36115 1
33 . 1 1 6 6 ASP HB3 H 1 2.589 0.00 . 2 . . . . A 13 ASP HB3 . 36115 1
34 . 1 1 6 6 ASP N N 15 119.879 0.01 . 1 . . . . A 13 ASP N . 36115 1
35 . 1 1 7 7 GLY H H 1 8.795 0.00 . 1 . . . . A 14 GLY H . 36115 1
36 . 1 1 7 7 GLY HA2 H 1 4.209 0.01 . 2 . . . . A 14 GLY HA2 . 36115 1
37 . 1 1 7 7 GLY HA3 H 1 3.779 0.00 . 2 . . . . A 14 GLY HA3 . 36115 1
38 . 1 1 7 7 GLY N N 15 112.773 0.01 . 1 . . . . A 14 GLY N . 36115 1
39 . 1 1 8 8 TRP H H 1 7.910 0.00 . 1 . . . . A 15 TRP H . 36115 1
40 . 1 1 8 8 TRP HA H 1 5.999 0.00 . 1 . . . . A 15 TRP HA . 36115 1
41 . 1 1 8 8 TRP HB2 H 1 3.283 0.00 . 2 . . . . A 15 TRP HB2 . 36115 1
42 . 1 1 8 8 TRP HB3 H 1 2.987 0.00 . 2 . . . . A 15 TRP HB3 . 36115 1
43 . 1 1 8 8 TRP HD1 H 1 7.025 0.00 . 1 . . . . A 15 TRP HD1 . 36115 1
44 . 1 1 8 8 TRP HE1 H 1 10.329 0.00 . 1 . . . . A 15 TRP HE1 . 36115 1
45 . 1 1 8 8 TRP HE3 H 1 7.414 0.00 . 1 . . . . A 15 TRP HE3 . 36115 1
46 . 1 1 8 8 TRP HZ2 H 1 7.475 0.00 . 1 . . . . A 15 TRP HZ2 . 36115 1
47 . 1 1 8 8 TRP HZ3 H 1 6.825 0.00 . 1 . . . . A 15 TRP HZ3 . 36115 1
48 . 1 1 8 8 TRP HH2 H 1 7.179 0.00 . 1 . . . . A 15 TRP HH2 . 36115 1
49 . 1 1 8 8 TRP N N 15 117.741 0.01 . 1 . . . . A 15 TRP N . 36115 1
50 . 1 1 8 8 TRP NE1 N 15 108.226 0.01 . 1 . . . . A 15 TRP NE1 . 36115 1
51 . 1 1 9 9 GLU H H 1 9.519 0.00 . 1 . . . . A 16 GLU H . 36115 1
52 . 1 1 9 9 GLU HA H 1 4.729 0.01 . 1 . . . . A 16 GLU HA . 36115 1
53 . 1 1 9 9 GLU HB2 H 1 2.068 0.01 . 2 . . . . A 16 GLU HB2 . 36115 1
54 . 1 1 9 9 GLU HB3 H 1 1.986 0.00 . 2 . . . . A 16 GLU HB3 . 36115 1
55 . 1 1 9 9 GLU HG2 H 1 2.353 0.00 . 2 . . . . A 16 GLU HG2 . 36115 1
56 . 1 1 9 9 GLU HG3 H 1 2.217 0.01 . 2 . . . . A 16 GLU HG3 . 36115 1
57 . 1 1 9 9 GLU N N 15 121.266 0.01 . 1 . . . . A 16 GLU N . 36115 1
58 . 1 1 10 10 GLN H H 1 8.956 0.00 . 1 . . . . A 17 GLN H . 36115 1
59 . 1 1 10 10 GLN HA H 1 4.499 0.00 . 1 . . . . A 17 GLN HA . 36115 1
60 . 1 1 10 10 GLN HB3 H 1 1.945 0.01 . 2 . . . . A 17 GLN HB3 . 36115 1
61 . 1 1 10 10 GLN HG3 H 1 2.125 0.01 . 2 . . . . A 17 GLN HG3 . 36115 1
62 . 1 1 10 10 GLN HE21 H 1 7.003 0.00 . 2 . . . . A 17 GLN HE21 . 36115 1
63 . 1 1 10 10 GLN HE22 H 1 7.266 0.00 . 2 . . . . A 17 GLN HE22 . 36115 1
64 . 1 1 10 10 GLN N N 15 125.626 0.00 . 1 . . . . A 17 GLN N . 36115 1
65 . 1 1 10 10 GLN NE2 N 15 112.651 0.00 . 1 . . . . A 17 GLN NE2 . 36115 1
66 . 1 1 11 11 ALA H H 1 8.694 0.00 . 1 . . . . A 18 ALA H . 36115 1
67 . 1 1 11 11 ALA HA H 1 4.410 0.00 . 1 . . . . A 18 ALA HA . 36115 1
68 . 1 1 11 11 ALA HB1 H 1 0.465 0.00 . 1 . . . . A 18 ALA HB1 . 36115 1
69 . 1 1 11 11 ALA HB2 H 1 0.465 0.00 . 1 . . . . A 18 ALA HB2 . 36115 1
70 . 1 1 11 11 ALA HB3 H 1 0.465 0.00 . 1 . . . . A 18 ALA HB3 . 36115 1
71 . 1 1 11 11 ALA N N 15 109.133 0.00 . 1 . . . . A 18 ALA N . 36115 1
72 . 1 1 12 12 MET H H 1 8.005 0.00 . 1 . . . . A 19 MET H . 36115 1
73 . 1 1 12 12 MET HA H 1 5.575 0.00 . 1 . . . . A 19 MET HA . 36115 1
74 . 1 1 12 12 MET HB2 H 1 1.922 0.00 . 2 . . . . A 19 MET HB2 . 36115 1
75 . 1 1 12 12 MET HB3 H 1 1.800 0.00 . 2 . . . . A 19 MET HB3 . 36115 1
76 . 1 1 12 12 MET HG2 H 1 2.616 0.00 . 2 . . . . A 19 MET HG2 . 36115 1
77 . 1 1 12 12 MET HG3 H 1 2.303 0.00 . 2 . . . . A 19 MET HG3 . 36115 1
78 . 1 1 12 12 MET N N 15 116.340 0.00 . 1 . . . . A 19 MET N . 36115 1
79 . 1 1 13 13 THR H H 1 9.652 0.00 . 1 . . . . A 20 THR H . 36115 1
80 . 1 1 13 13 THR HA H 1 4.658 0.01 . 1 . . . . A 20 THR HA . 36115 1
81 . 1 1 13 13 THR HB H 1 4.876 0.00 . 1 . . . . A 20 THR HB . 36115 1
82 . 1 1 13 13 THR HG21 H 1 1.470 0.00 . 1 . . . . A 20 THR HG21 . 36115 1
83 . 1 1 13 13 THR HG22 H 1 1.470 0.00 . 1 . . . . A 20 THR HG22 . 36115 1
84 . 1 1 13 13 THR HG23 H 1 1.470 0.00 . 1 . . . . A 20 THR HG23 . 36115 1
85 . 1 1 13 13 THR N N 15 116.387 0.01 . 1 . . . . A 20 THR N . 36115 1
86 . 1 1 14 14 GLN H H 1 7.709 0.00 . 1 . . . . A 21 GLN H . 36115 1
87 . 1 1 14 14 GLN HB3 H 1 2.146 0.00 . 2 . . . . A 21 GLN HB3 . 36115 1
88 . 1 1 14 14 GLN HE21 H 1 6.887 0.00 . 2 . . . . A 21 GLN HE21 . 36115 1
89 . 1 1 14 14 GLN HE22 H 1 7.577 0.00 . 2 . . . . A 21 GLN HE22 . 36115 1
90 . 1 1 14 14 GLN N N 15 119.386 0.00 . 1 . . . . A 21 GLN N . 36115 1
91 . 1 1 14 14 GLN NE2 N 15 112.698 0.00 . 1 . . . . A 21 GLN NE2 . 36115 1
92 . 1 1 15 15 ASP H H 1 7.708 0.00 . 1 . . . . A 22 ASP H . 36115 1
93 . 1 1 15 15 ASP HA H 1 4.784 0.00 . 1 . . . . A 22 ASP HA . 36115 1
94 . 1 1 15 15 ASP HB2 H 1 2.842 0.00 . 2 . . . . A 22 ASP HB2 . 36115 1
95 . 1 1 15 15 ASP HB3 H 1 2.560 0.00 . 2 . . . . A 22 ASP HB3 . 36115 1
96 . 1 1 15 15 ASP N N 15 115.009 0.01 . 1 . . . . A 22 ASP N . 36115 1
97 . 1 1 16 16 GLY H H 1 7.980 0.00 . 1 . . . . A 23 GLY H . 36115 1
98 . 1 1 16 16 GLY HA2 H 1 4.168 0.00 . 2 . . . . A 23 GLY HA2 . 36115 1
99 . 1 1 16 16 GLY HA3 H 1 3.787 0.00 . 2 . . . . A 23 GLY HA3 . 36115 1
100 . 1 1 16 16 GLY N N 15 108.139 0.01 . 1 . . . . A 23 GLY N . 36115 1
101 . 1 1 17 17 GLU H H 1 7.709 0.00 . 1 . . . . A 24 GLU H . 36115 1
102 . 1 1 17 17 GLU HA H 1 4.527 0.00 . 1 . . . . A 24 GLU HA . 36115 1
103 . 1 1 17 17 GLU HB3 H 1 2.222 0.00 . 2 . . . . A 24 GLU HB3 . 36115 1
104 . 1 1 17 17 GLU HG3 H 1 2.117 0.01 . 2 . . . . A 24 GLU HG3 . 36115 1
105 . 1 1 17 17 GLU N N 15 119.385 0.00 . 1 . . . . A 24 GLU N . 36115 1
106 . 1 1 18 18 ILE H H 1 8.678 0.01 . 1 . . . . A 25 ILE H . 36115 1
107 . 1 1 18 18 ILE HA H 1 4.708 0.00 . 1 . . . . A 25 ILE HA . 36115 1
108 . 1 1 18 18 ILE HB H 1 1.795 0.00 . 1 . . . . A 25 ILE HB . 36115 1
109 . 1 1 18 18 ILE HG12 H 1 1.691 0.00 . 2 . . . . A 25 ILE HG12 . 36115 1
110 . 1 1 18 18 ILE HG13 H 1 1.163 0.01 . 2 . . . . A 25 ILE HG13 . 36115 1
111 . 1 1 18 18 ILE HG21 H 1 0.853 0.00 . 1 . . . . A 25 ILE HG21 . 36115 1
112 . 1 1 18 18 ILE HG22 H 1 0.853 0.00 . 1 . . . . A 25 ILE HG22 . 36115 1
113 . 1 1 18 18 ILE HG23 H 1 0.853 0.00 . 1 . . . . A 25 ILE HG23 . 36115 1
114 . 1 1 18 18 ILE HD11 H 1 0.735 0.00 . 1 . . . . A 25 ILE HD11 . 36115 1
115 . 1 1 18 18 ILE HD12 H 1 0.735 0.00 . 1 . . . . A 25 ILE HD12 . 36115 1
116 . 1 1 18 18 ILE HD13 H 1 0.735 0.00 . 1 . . . . A 25 ILE HD13 . 36115 1
117 . 1 1 18 18 ILE N N 15 126.271 0.00 . 1 . . . . A 25 ILE N . 36115 1
118 . 1 1 19 19 TYR H H 1 8.632 0.00 . 1 . . . . A 26 TYR H . 36115 1
119 . 1 1 19 19 TYR HA H 1 4.838 0.01 . 1 . . . . A 26 TYR HA . 36115 1
120 . 1 1 19 19 TYR HB2 H 1 3.066 0.00 . 2 . . . . A 26 TYR HB2 . 36115 1
121 . 1 1 19 19 TYR HB3 H 1 2.518 0.00 . 2 . . . . A 26 TYR HB3 . 36115 1
122 . 1 1 19 19 TYR HD1 H 1 6.780 0.00 . 3 . . . . A 26 TYR HD1 . 36115 1
123 . 1 1 19 19 TYR HE1 H 1 6.184 0.00 . 3 . . . . A 26 TYR HE1 . 36115 1
124 . 1 1 19 19 TYR N N 15 123.911 0.01 . 1 . . . . A 26 TYR N . 36115 1
125 . 1 1 20 20 TYR H H 1 9.037 0.00 . 1 . . . . A 27 TYR H . 36115 1
126 . 1 1 20 20 TYR HA H 1 5.164 0.00 . 1 . . . . A 27 TYR HA . 36115 1
127 . 1 1 20 20 TYR HB2 H 1 3.176 0.00 . 2 . . . . A 27 TYR HB2 . 36115 1
128 . 1 1 20 20 TYR HB3 H 1 2.864 0.00 . 2 . . . . A 27 TYR HB3 . 36115 1
129 . 1 1 20 20 TYR HD1 H 1 6.785 0.00 . 3 . . . . A 27 TYR HD1 . 36115 1
130 . 1 1 20 20 TYR HE1 H 1 6.719 0.00 . 3 . . . . A 27 TYR HE1 . 36115 1
131 . 1 1 20 20 TYR N N 15 115.739 0.01 . 1 . . . . A 27 TYR N . 36115 1
132 . 1 1 21 21 ILE H H 1 9.448 0.00 . 1 . . . . A 28 ILE H . 36115 1
133 . 1 1 21 21 ILE HA H 1 4.289 0.00 . 1 . . . . A 28 ILE HA . 36115 1
134 . 1 1 21 21 ILE HB H 1 1.382 0.00 . 1 . . . . A 28 ILE HB . 36115 1
135 . 1 1 21 21 ILE HG12 H 1 0.287 0.00 . 1 . . . . A 28 ILE HG12 . 36115 1
136 . 1 1 21 21 ILE HG13 H 1 0.472 0.00 . 1 . . . . A 28 ILE HG13 . 36115 1
137 . 1 1 21 21 ILE HG21 H 1 0.287 0.00 . 1 . . . . A 28 ILE HG21 . 36115 1
138 . 1 1 21 21 ILE HG22 H 1 0.287 0.00 . 1 . . . . A 28 ILE HG22 . 36115 1
139 . 1 1 21 21 ILE HG23 H 1 0.287 0.00 . 1 . . . . A 28 ILE HG23 . 36115 1
140 . 1 1 21 21 ILE HD11 H 1 0.598 0.00 . 1 . . . . A 28 ILE HD11 . 36115 1
141 . 1 1 21 21 ILE HD12 H 1 0.598 0.00 . 1 . . . . A 28 ILE HD12 . 36115 1
142 . 1 1 21 21 ILE HD13 H 1 0.598 0.00 . 1 . . . . A 28 ILE HD13 . 36115 1
143 . 1 1 21 21 ILE N N 15 122.587 0.01 . 1 . . . . A 28 ILE N . 36115 1
144 . 1 1 22 22 ASN H H 1 8.622 0.00 . 1 . . . . A 29 ASN H . 36115 1
145 . 1 1 22 22 ASN HA H 1 3.999 0.01 . 1 . . . . A 29 ASN HA . 36115 1
146 . 1 1 22 22 ASN HB2 H 1 2.470 0.01 . 2 . . . . A 29 ASN HB2 . 36115 1
147 . 1 1 22 22 ASN HB3 H 1 -0.123 0.00 . 2 . . . . A 29 ASN HB3 . 36115 1
148 . 1 1 22 22 ASN HD21 H 1 6.625 0.00 . 2 . . . . A 29 ASN HD21 . 36115 1
149 . 1 1 22 22 ASN HD22 H 1 5.816 0.00 . 2 . . . . A 29 ASN HD22 . 36115 1
150 . 1 1 22 22 ASN N N 15 124.398 0.01 . 1 . . . . A 29 ASN N . 36115 1
151 . 1 1 22 22 ASN ND2 N 15 109.943 0.01 . 1 . . . . A 29 ASN ND2 . 36115 1
152 . 1 1 23 23 HIS H H 1 8.827 0.00 . 1 . . . . A 30 HIS H . 36115 1
153 . 1 1 23 23 HIS HA H 1 4.406 0.00 . 1 . . . . A 30 HIS HA . 36115 1
154 . 1 1 23 23 HIS HB2 H 1 3.137 0.01 . 2 . . . . A 30 HIS HB2 . 36115 1
155 . 1 1 23 23 HIS HB3 H 1 3.059 0.00 . 2 . . . . A 30 HIS HB3 . 36115 1
156 . 1 1 23 23 HIS HD2 H 1 6.892 0.01 . 1 . . . . A 30 HIS HD2 . 36115 1
157 . 1 1 23 23 HIS HE1 H 1 7.651 0.00 . 1 . . . . A 30 HIS HE1 . 36115 1
158 . 1 1 23 23 HIS N N 15 121.800 0.01 . 1 . . . . A 30 HIS N . 36115 1
159 . 1 1 24 24 LYS H H 1 8.092 0.00 . 1 . . . . A 31 LYS H . 36115 1
160 . 1 1 24 24 LYS HA H 1 4.072 0.00 . 1 . . . . A 31 LYS HA . 36115 1
161 . 1 1 24 24 LYS HB2 H 1 1.843 0.00 . 2 . . . . A 31 LYS HB2 . 36115 1
162 . 1 1 24 24 LYS HB3 H 1 1.689 0.00 . 2 . . . . A 31 LYS HB3 . 36115 1
163 . 1 1 24 24 LYS HG2 H 1 1.450 0.00 . 2 . . . . A 31 LYS HG2 . 36115 1
164 . 1 1 24 24 LYS HG3 H 1 1.348 0.01 . 2 . . . . A 31 LYS HG3 . 36115 1
165 . 1 1 24 24 LYS N N 15 118.428 0.00 . 1 . . . . A 31 LYS N . 36115 1
166 . 1 1 25 25 ASN H H 1 6.704 0.00 . 1 . . . . A 32 ASN H . 36115 1
167 . 1 1 25 25 ASN HA H 1 4.583 0.00 . 1 . . . . A 32 ASN HA . 36115 1
168 . 1 1 25 25 ASN HB2 H 1 2.633 0.00 . 2 . . . . A 32 ASN HB2 . 36115 1
169 . 1 1 25 25 ASN HB3 H 1 2.556 0.00 . 2 . . . . A 32 ASN HB3 . 36115 1
170 . 1 1 25 25 ASN HD21 H 1 6.651 0.00 . 2 . . . . A 32 ASN HD21 . 36115 1
171 . 1 1 25 25 ASN HD22 H 1 7.331 0.00 . 2 . . . . A 32 ASN HD22 . 36115 1
172 . 1 1 25 25 ASN N N 15 113.174 0.01 . 1 . . . . A 32 ASN N . 36115 1
173 . 1 1 25 25 ASN ND2 N 15 109.460 0.00 . 1 . . . . A 32 ASN ND2 . 36115 1
174 . 1 1 26 26 LYS H H 1 7.287 0.00 . 1 . . . . A 33 LYS H . 36115 1
175 . 1 1 26 26 LYS HA H 1 2.587 0.00 . 1 . . . . A 33 LYS HA . 36115 1
176 . 1 1 26 26 LYS HB2 H 1 1.704 0.00 . 2 . . . . A 33 LYS HB2 . 36115 1
177 . 1 1 26 26 LYS HB3 H 1 0.613 0.01 . 2 . . . . A 33 LYS HB3 . 36115 1
178 . 1 1 26 26 LYS HG2 H 1 1.325 0.00 . 2 . . . . A 33 LYS HG2 . 36115 1
179 . 1 1 26 26 LYS HG3 H 1 0.926 0.01 . 2 . . . . A 33 LYS HG3 . 36115 1
180 . 1 1 26 26 LYS N N 15 115.725 0.01 . 1 . . . . A 33 LYS N . 36115 1
181 . 1 1 27 27 THR H H 1 7.567 0.00 . 1 . . . . A 34 THR H . 36115 1
182 . 1 1 27 27 THR HA H 1 4.824 0.00 . 1 . . . . A 34 THR HA . 36115 1
183 . 1 1 27 27 THR HB H 1 4.181 0.00 . 1 . . . . A 34 THR HB . 36115 1
184 . 1 1 27 27 THR HG21 H 1 0.961 0.01 . 1 . . . . A 34 THR HG21 . 36115 1
185 . 1 1 27 27 THR HG22 H 1 0.961 0.01 . 1 . . . . A 34 THR HG22 . 36115 1
186 . 1 1 27 27 THR HG23 H 1 0.961 0.01 . 1 . . . . A 34 THR HG23 . 36115 1
187 . 1 1 27 27 THR N N 15 108.360 0.00 . 1 . . . . A 34 THR N . 36115 1
188 . 1 1 28 28 THR H H 1 8.062 0.00 . 1 . . . . A 35 THR H . 36115 1
189 . 1 1 28 28 THR HA H 1 5.466 0.00 . 1 . . . . A 35 THR HA . 36115 1
190 . 1 1 28 28 THR HB H 1 5.237 0.02 . 1 . . . . A 35 THR HB . 36115 1
191 . 1 1 28 28 THR HG21 H 1 1.180 0.00 . 1 . . . . A 35 THR HG21 . 36115 1
192 . 1 1 28 28 THR HG22 H 1 1.180 0.00 . 1 . . . . A 35 THR HG22 . 36115 1
193 . 1 1 28 28 THR HG23 H 1 1.180 0.00 . 1 . . . . A 35 THR HG23 . 36115 1
194 . 1 1 28 28 THR N N 15 108.855 0.01 . 1 . . . . A 35 THR N . 36115 1
195 . 1 1 29 29 SER H H 1 9.363 0.00 . 1 . . . . A 36 SER H . 36115 1
196 . 1 1 29 29 SER HA H 1 4.704 0.00 . 1 . . . . A 36 SER HA . 36115 1
197 . 1 1 29 29 SER HB2 H 1 4.172 0.01 . 2 . . . . A 36 SER HB2 . 36115 1
198 . 1 1 29 29 SER HB3 H 1 3.759 0.01 . 2 . . . . A 36 SER HB3 . 36115 1
199 . 1 1 29 29 SER N N 15 111.761 0.01 . 1 . . . . A 36 SER N . 36115 1
200 . 1 1 30 30 TRP H H 1 9.182 0.01 . 1 . . . . A 37 TRP H . 36115 1
201 . 1 1 30 30 TRP HA H 1 5.267 0.00 . 1 . . . . A 37 TRP HA . 36115 1
202 . 1 1 30 30 TRP HB2 H 1 3.677 0.00 . 2 . . . . A 37 TRP HB2 . 36115 1
203 . 1 1 30 30 TRP HB3 H 1 3.082 0.01 . 2 . . . . A 37 TRP HB3 . 36115 1
204 . 1 1 30 30 TRP HD1 H 1 7.313 0.00 . 1 . . . . A 37 TRP HD1 . 36115 1
205 . 1 1 30 30 TRP HE1 H 1 10.259 0.00 . 1 . . . . A 37 TRP HE1 . 36115 1
206 . 1 1 30 30 TRP HE3 H 1 8.233 0.01 . 1 . . . . A 37 TRP HE3 . 36115 1
207 . 1 1 30 30 TRP HZ2 H 1 7.191 0.01 . 1 . . . . A 37 TRP HZ2 . 36115 1
208 . 1 1 30 30 TRP HZ3 H 1 6.830 0.02 . 1 . . . . A 37 TRP HZ3 . 36115 1
209 . 1 1 30 30 TRP HH2 H 1 7.030 0.01 . 1 . . . . A 37 TRP HH2 . 36115 1
210 . 1 1 30 30 TRP N N 15 124.947 0.01 . 1 . . . . A 37 TRP N . 36115 1
211 . 1 1 30 30 TRP NE1 N 15 107.631 0.01 . 1 . . . . A 37 TRP NE1 . 36115 1
212 . 1 1 31 31 LEU H H 1 8.532 0.00 . 1 . . . . A 38 LEU H . 36115 1
213 . 1 1 31 31 LEU HA H 1 4.365 0.00 . 1 . . . . A 38 LEU HA . 36115 1
214 . 1 1 31 31 LEU HB2 H 1 1.589 0.02 . 2 . . . . A 38 LEU HB2 . 36115 1
215 . 1 1 31 31 LEU HB3 H 1 1.390 0.00 . 2 . . . . A 38 LEU HB3 . 36115 1
216 . 1 1 31 31 LEU HD11 H 1 0.829 0.01 . 2 . . . . A 38 LEU HD11 . 36115 1
217 . 1 1 31 31 LEU HD12 H 1 0.829 0.01 . 2 . . . . A 38 LEU HD12 . 36115 1
218 . 1 1 31 31 LEU HD13 H 1 0.829 0.01 . 2 . . . . A 38 LEU HD13 . 36115 1
219 . 1 1 31 31 LEU HD21 H 1 0.879 0.00 . 2 . . . . A 38 LEU HD21 . 36115 1
220 . 1 1 31 31 LEU HD22 H 1 0.879 0.00 . 2 . . . . A 38 LEU HD22 . 36115 1
221 . 1 1 31 31 LEU HD23 H 1 0.879 0.00 . 2 . . . . A 38 LEU HD23 . 36115 1
222 . 1 1 31 31 LEU N N 15 119.449 0.00 . 1 . . . . A 38 LEU N . 36115 1
223 . 1 1 32 32 ASP H H 1 8.078 0.00 . 1 . . . . A 39 ASP H . 36115 1
224 . 1 1 32 32 ASP HA H 1 2.778 0.00 . 1 . . . . A 39 ASP HA . 36115 1
225 . 1 1 32 32 ASP HB2 H 1 2.486 0.00 . 2 . . . . A 39 ASP HB2 . 36115 1
226 . 1 1 32 32 ASP HB3 H 1 2.360 0.00 . 2 . . . . A 39 ASP HB3 . 36115 1
227 . 1 1 32 32 ASP N N 15 125.499 0.00 . 1 . . . . A 39 ASP N . 36115 1
228 . 1 1 33 33 PRO HB2 H 1 0.820 0.05 . 2 . . . . A 40 PRO HB2 . 36115 1
229 . 1 1 33 33 PRO HB3 H 1 0.406 0.01 . 2 . . . . A 40 PRO HB3 . 36115 1
230 . 1 1 33 33 PRO HG2 H 1 0.583 0.00 . 2 . . . . A 40 PRO HG2 . 36115 1
231 . 1 1 33 33 PRO HG3 H 1 0.225 0.01 . 2 . . . . A 40 PRO HG3 . 36115 1
232 . 1 1 33 33 PRO HD2 H 1 2.713 0.00 . 2 . . . . A 40 PRO HD2 . 36115 1
233 . 1 1 33 33 PRO HD3 H 1 2.450 0.03 . 2 . . . . A 40 PRO HD3 . 36115 1
234 . 1 1 34 34 ARG H H 1 8.383 0.00 . 1 . . . . A 41 ARG H . 36115 1
235 . 1 1 34 34 ARG HA H 1 3.863 0.00 . 1 . . . . A 41 ARG HA . 36115 1
236 . 1 1 34 34 ARG HB2 H 1 1.154 0.01 . 2 . . . . A 41 ARG HB2 . 36115 1
237 . 1 1 34 34 ARG HB3 H 1 1.474 0.00 . 2 . . . . A 41 ARG HB3 . 36115 1
238 . 1 1 34 34 ARG HG2 H 1 1.832 0.00 . 2 . . . . A 41 ARG HG2 . 36115 1
239 . 1 1 34 34 ARG HG3 H 1 1.731 0.00 . 2 . . . . A 41 ARG HG3 . 36115 1
240 . 1 1 34 34 ARG HD2 H 1 2.895 0.01 . 2 . . . . A 41 ARG HD2 . 36115 1
241 . 1 1 34 34 ARG HD3 H 1 2.794 0.01 . 2 . . . . A 41 ARG HD3 . 36115 1
242 . 1 1 34 34 ARG HE H 1 8.661 0.00 . 1 . . . . A 41 ARG HE . 36115 1
243 . 1 1 34 34 ARG N N 15 118.759 0.01 . 1 . . . . A 41 ARG N . 36115 1
244 . 1 1 34 34 ARG NE N 15 106.968 0.00 . 1 . . . . A 41 ARG NE . 36115 1
245 . 1 1 35 35 LEU H H 1 7.240 0.00 . 1 . . . . A 42 LEU H . 36115 1
246 . 1 1 35 35 LEU HA H 1 4.360 0.00 . 1 . . . . A 42 LEU HA . 36115 1
247 . 1 1 35 35 LEU HB2 H 1 1.619 0.00 . 2 . . . . A 42 LEU HB2 . 36115 1
248 . 1 1 35 35 LEU HB3 H 1 1.449 0.00 . 2 . . . . A 42 LEU HB3 . 36115 1
249 . 1 1 35 35 LEU HD11 H 1 0.719 0.01 . 2 . . . . A 42 LEU HD11 . 36115 1
250 . 1 1 35 35 LEU HD12 H 1 0.719 0.01 . 2 . . . . A 42 LEU HD12 . 36115 1
251 . 1 1 35 35 LEU HD13 H 1 0.719 0.01 . 2 . . . . A 42 LEU HD13 . 36115 1
252 . 1 1 35 35 LEU HD21 H 1 0.880 0.00 . 2 . . . . A 42 LEU HD21 . 36115 1
253 . 1 1 35 35 LEU HD22 H 1 0.880 0.00 . 2 . . . . A 42 LEU HD22 . 36115 1
254 . 1 1 35 35 LEU HD23 H 1 0.880 0.00 . 2 . . . . A 42 LEU HD23 . 36115 1
255 . 1 1 35 35 LEU N N 15 117.915 0.01 . 1 . . . . A 42 LEU N . 36115 1
256 . 1 1 36 36 ASP H H 1 8.084 0.00 . 1 . . . . A 43 ASP H . 36115 1
257 . 1 1 36 36 ASP HA H 1 4.692 0.00 . 1 . . . . A 43 ASP HA . 36115 1
258 . 1 1 36 36 ASP HB2 H 1 2.686 0.01 . 2 . . . . A 43 ASP HB2 . 36115 1
259 . 1 1 36 36 ASP HB3 H 1 2.495 0.00 . 2 . . . . A 43 ASP HB3 . 36115 1
260 . 1 1 36 36 ASP N N 15 121.088 0.00 . 1 . . . . A 43 ASP N . 36115 1
261 . 1 1 37 37 PRO HA H 1 4.354 0.00 . 1 . . . . A 44 PRO HA . 36115 1
262 . 1 1 37 37 PRO HB2 H 1 2.175 0.00 . 2 . . . . A 44 PRO HB2 . 36115 1
263 . 1 1 37 37 PRO HB3 H 1 1.978 0.00 . 2 . . . . A 44 PRO HB3 . 36115 1
264 . 1 1 38 38 ARG H H 1 8.366 0.00 . 1 . . . . A 45 ARG H . 36115 1
265 . 1 1 38 38 ARG HA H 1 4.257 0.00 . 1 . . . . A 45 ARG HA . 36115 1
266 . 1 1 38 38 ARG HB2 H 1 1.784 0.00 . 2 . . . . A 45 ARG HB2 . 36115 1
267 . 1 1 38 38 ARG HB3 H 1 1.617 0.00 . 2 . . . . A 45 ARG HB3 . 36115 1
268 . 1 1 38 38 ARG HG3 H 1 1.878 0.00 . 2 . . . . A 45 ARG HG3 . 36115 1
269 . 1 1 38 38 ARG N N 15 120.556 0.00 . 1 . . . . A 45 ARG N . 36115 1
270 . 1 1 43 43 ASN HA H 1 4.647 0.00 . 1 . . . . A 50 ASN HA . 36115 1
271 . 1 1 43 43 ASN HD21 H 1 6.659 0.00 . 2 . . . . A 50 ASN HD21 . 36115 1
272 . 1 1 43 43 ASN HD22 H 1 7.096 0.00 . 2 . . . . A 50 ASN HD22 . 36115 1
273 . 1 1 43 43 ASN ND2 N 15 112.168 0.00 . 1 . . . . A 50 ASN ND2 . 36115 1
274 . 1 1 44 44 ARG H H 1 8.167 0.00 . 1 . . . . A 51 ARG H . 36115 1
275 . 1 1 44 44 ARG HA H 1 4.347 0.00 . 1 . . . . A 51 ARG HA . 36115 1
276 . 1 1 44 44 ARG HB2 H 1 1.724 0.00 . 2 . . . . A 51 ARG HB2 . 36115 1
277 . 1 1 44 44 ARG HB3 H 1 1.574 0.00 . 2 . . . . A 51 ARG HB3 . 36115 1
278 . 1 1 44 44 ARG HG3 H 1 1.838 0.00 . 2 . . . . A 51 ARG HG3 . 36115 1
279 . 1 1 44 44 ARG N N 15 121.405 0.01 . 1 . . . . A 51 ARG N . 36115 1
280 . 1 1 45 45 GLN H H 1 8.482 0.00 . 1 . . . . A 52 GLN H . 36115 1
281 . 1 1 45 45 GLN HA H 1 4.594 0.00 . 1 . . . . A 52 GLN HA . 36115 1
282 . 1 1 45 45 GLN HB2 H 1 2.208 0.00 . 2 . . . . A 52 GLN HB2 . 36115 1
283 . 1 1 45 45 GLN HB3 H 1 2.067 0.00 . 2 . . . . A 52 GLN HB3 . 36115 1
284 . 1 1 45 45 GLN HG3 H 1 2.505 0.01 . 2 . . . . A 52 GLN HG3 . 36115 1
285 . 1 1 45 45 GLN HE22 H 1 7.611 0.00 . 2 . . . . A 52 GLN HE22 . 36115 1
286 . 1 1 45 45 GLN N N 15 122.604 0.01 . 1 . . . . A 52 GLN N . 36115 1
287 . 1 1 45 45 GLN NE2 N 15 112.625 0.00 . 1 . . . . A 52 GLN NE2 . 36115 1
288 . 1 1 46 46 PRO HA H 1 4.791 0.00 . 1 . . . . A 53 PRO HA . 36115 1
289 . 1 1 47 47 PRO HA H 1 3.837 0.00 . 1 . . . . A 54 PRO HA . 36115 1
290 . 1 1 47 47 PRO HB2 H 1 0.993 0.01 . 2 . . . . A 54 PRO HB2 . 36115 1
291 . 1 1 47 47 PRO HB3 H 1 0.201 0.00 . 2 . . . . A 54 PRO HB3 . 36115 1
292 . 1 1 47 47 PRO HD2 H 1 3.362 0.00 . 2 . . . . A 54 PRO HD2 . 36115 1
293 . 1 1 47 47 PRO HD3 H 1 2.720 0.01 . 2 . . . . A 54 PRO HD3 . 36115 1
294 . 1 1 49 49 PRO HA H 1 4.274 0.00 . 1 . . . . A 56 PRO HA . 36115 1
295 . 1 1 49 49 PRO HB2 H 1 2.183 0.00 . 2 . . . . A 56 PRO HB2 . 36115 1
296 . 1 1 50 50 TYR H H 1 8.614 0.00 . 1 . . . . A 57 TYR H . 36115 1
297 . 1 1 50 50 TYR HA H 1 3.873 0.00 . 1 . . . . A 57 TYR HA . 36115 1
298 . 1 1 50 50 TYR HB2 H 1 2.508 0.00 . 2 . . . . A 57 TYR HB2 . 36115 1
299 . 1 1 50 50 TYR HB3 H 1 2.702 0.00 . 2 . . . . A 57 TYR HB3 . 36115 1
300 . 1 1 50 50 TYR HD1 H 1 6.787 0.00 . 3 . . . . A 57 TYR HD1 . 36115 1
301 . 1 1 50 50 TYR HE1 H 1 6.528 0.00 . 3 . . . . A 57 TYR HE1 . 36115 1
302 . 1 1 50 50 TYR N N 15 123.733 0.01 . 1 . . . . A 57 TYR N . 36115 1
303 . 1 1 51 51 PRO HA H 1 4.210 0.00 . 1 . . . . A 58 PRO HA . 36115 1
304 . 1 1 51 51 PRO HB2 H 1 1.958 0.00 . 2 . . . . A 58 PRO HB2 . 36115 1
305 . 1 1 51 51 PRO HB3 H 1 1.765 0.00 . 2 . . . . A 58 PRO HB3 . 36115 1
306 . 1 1 51 51 PRO HD3 H 1 3.230 0.00 . 2 . . . . A 58 PRO HD3 . 36115 1
307 . 1 1 52 52 LEU H H 1 7.644 0.00 . 1 . . . . A 59 LEU H . 36115 1
308 . 1 1 52 52 LEU HA H 1 4.404 0.01 . 1 . . . . A 59 LEU HA . 36115 1
309 . 1 1 52 52 LEU HB3 H 1 1.653 0.00 . 2 . . . . A 59 LEU HB3 . 36115 1
310 . 1 1 52 52 LEU HD11 H 1 0.940 0.01 . 2 . . . . A 59 LEU HD11 . 36115 1
311 . 1 1 52 52 LEU HD12 H 1 0.940 0.01 . 2 . . . . A 59 LEU HD12 . 36115 1
312 . 1 1 52 52 LEU HD13 H 1 0.940 0.01 . 2 . . . . A 59 LEU HD13 . 36115 1
313 . 1 1 52 52 LEU N N 15 122.856 0.01 . 1 . . . . A 59 LEU N . 36115 1
314 . 1 1 53 53 THR H H 1 8.041 0.00 . 1 . . . . A 60 THR H . 36115 1
315 . 1 1 53 53 THR HA H 1 4.325 0.00 . 1 . . . . A 60 THR HA . 36115 1
316 . 1 1 53 53 THR HB H 1 4.223 0.00 . 1 . . . . A 60 THR HB . 36115 1
317 . 1 1 53 53 THR HG21 H 1 1.180 0.00 . 1 . . . . A 60 THR HG21 . 36115 1
318 . 1 1 53 53 THR HG22 H 1 1.180 0.00 . 1 . . . . A 60 THR HG22 . 36115 1
319 . 1 1 53 53 THR HG23 H 1 1.180 0.00 . 1 . . . . A 60 THR HG23 . 36115 1
320 . 1 1 53 53 THR N N 15 114.871 0.02 . 1 . . . . A 60 THR N . 36115 1
321 . 1 1 54 54 ALA H H 1 7.916 0.00 . 1 . . . . A 61 ALA H . 36115 1
322 . 1 1 54 54 ALA HB1 H 1 1.300 0.00 . 1 . . . . A 61 ALA HB1 . 36115 1
323 . 1 1 54 54 ALA HB2 H 1 1.300 0.00 . 1 . . . . A 61 ALA HB2 . 36115 1
324 . 1 1 54 54 ALA HB3 H 1 1.300 0.00 . 1 . . . . A 61 ALA HB3 . 36115 1
325 . 1 1 54 54 ALA N N 15 110.015 0.01 . 1 . . . . A 61 ALA N . 36115 1
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