Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 19683
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 19683 1
2 '2D 1H-13C HSQC' . . . 19683 1
3 '2D 1H-1H TOCSY' . . . 19683 1
4 '2D DQF-COSY' . . . 19683 1
5 '3D CBCA(CO)NH' . . . 19683 1
6 '3D HNCA' . . . 19683 1
7 '3D 1H-15N NOESY' . . . 19683 1
8 '3D 1H-15N TOCSY' . . . 19683 1
9 '2D 1H-15N HSQC' . . . 19683 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
3 $SPARKY . . 19683 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.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 H H 1 8.334 . . . . . . A 1 GLY H1 . 19683 1
2 . 1 1 1 1 GLY HA2 H 1 3.931 . . . . . . A 1 GLY HA2 . 19683 1
3 . 1 1 1 1 GLY HA3 H 1 3.868 . . . . . . A 1 GLY HA3 . 19683 1
4 . 1 1 1 1 GLY CA C 13 45.204 . . . . . . A 1 GLY CA . 19683 1
5 . 1 1 1 1 GLY N N 15 108.203 . . . . . . A 1 GLY N . 19683 1
6 . 1 1 2 2 LEU H H 1 8.344 . . . . . . A 2 LEU H . 19683 1
7 . 1 1 2 2 LEU HA H 1 4.416 . . . . . . A 2 LEU HA . 19683 1
8 . 1 1 2 2 LEU HB2 H 1 1.636 . . . . . . A 2 LEU HB2 . 19683 1
9 . 1 1 2 2 LEU HB3 H 1 1.636 . . . . . . A 2 LEU HB3 . 19683 1
10 . 1 1 2 2 LEU HG H 1 1.514 . . . . . . A 2 LEU HG . 19683 1
11 . 1 1 2 2 LEU HD11 H 1 0.714 . . . . . . A 2 LEU HD11 . 19683 1
12 . 1 1 2 2 LEU HD12 H 1 0.714 . . . . . . A 2 LEU HD12 . 19683 1
13 . 1 1 2 2 LEU HD13 H 1 0.714 . . . . . . A 2 LEU HD13 . 19683 1
14 . 1 1 2 2 LEU HD21 H 1 0.714 . . . . . . A 2 LEU HD21 . 19683 1
15 . 1 1 2 2 LEU HD22 H 1 0.714 . . . . . . A 2 LEU HD22 . 19683 1
16 . 1 1 2 2 LEU HD23 H 1 0.714 . . . . . . A 2 LEU HD23 . 19683 1
17 . 1 1 2 2 LEU CA C 13 55.001 . . . . . . A 2 LEU CA . 19683 1
18 . 1 1 2 2 LEU CB C 13 43.955 . . . . . . A 2 LEU CB . 19683 1
19 . 1 1 2 2 LEU N N 15 121.139 . . . . . . A 2 LEU N . 19683 1
20 . 1 1 3 3 GLY H H 1 8.344 . . . . . . A 3 GLY H . 19683 1
21 . 1 1 3 3 GLY HA2 H 1 4.200 . . . . . . A 3 GLY HA2 . 19683 1
22 . 1 1 3 3 GLY HA3 H 1 4.028 . . . . . . A 3 GLY HA3 . 19683 1
23 . 1 1 3 3 GLY CA C 13 44.497 . . . . . . A 3 GLY CA . 19683 1
24 . 1 1 3 3 GLY N N 15 108.320 . . . . . . A 3 GLY N . 19683 1
25 . 1 1 4 4 LYS H H 1 8.494 . . . . . . A 4 LYS H . 19683 1
26 . 1 1 4 4 LYS HA H 1 3.988 . . . . . . A 4 LYS HA . 19683 1
27 . 1 1 4 4 LYS HB2 H 1 1.890 . . . . . . A 4 LYS HB2 . 19683 1
28 . 1 1 4 4 LYS HB3 H 1 1.890 . . . . . . A 4 LYS HB3 . 19683 1
29 . 1 1 4 4 LYS HG2 H 1 1.585 . . . . . . A 4 LYS HG2 . 19683 1
30 . 1 1 4 4 LYS HG3 H 1 1.474 . . . . . . A 4 LYS HG3 . 19683 1
31 . 1 1 4 4 LYS HD2 H 1 1.722 . . . . . . A 4 LYS HD2 . 19683 1
32 . 1 1 4 4 LYS HD3 H 1 1.290 . . . . . . A 4 LYS HD3 . 19683 1
33 . 1 1 4 4 LYS HE2 H 1 3.030 . . . . . . A 4 LYS HE2 . 19683 1
34 . 1 1 4 4 LYS HE3 H 1 3.030 . . . . . . A 4 LYS HE3 . 19683 1
35 . 1 1 4 4 LYS HZ1 H 1 7.385 . . . . . . A 4 LYS HZ1 . 19683 1
36 . 1 1 4 4 LYS HZ2 H 1 7.385 . . . . . . A 4 LYS HZ2 . 19683 1
37 . 1 1 4 4 LYS HZ3 H 1 7.385 . . . . . . A 4 LYS HZ3 . 19683 1
38 . 1 1 4 4 LYS CA C 13 54.781 . . . . . . A 4 LYS CA . 19683 1
39 . 1 1 4 4 LYS CB C 13 41.1252 . . . . . . A 4 LYS CB . 19683 1
40 . 1 1 4 4 LYS N N 15 119.456 . . . . . . A 4 LYS N . 19683 1
41 . 1 1 5 5 ALA H H 1 8.748 . . . . . . A 5 ALA H . 19683 1
42 . 1 1 5 5 ALA HA H 1 4.264 . . . . . . A 5 ALA HA . 19683 1
43 . 1 1 5 5 ALA HB1 H 1 1.461 . . . . . . A 5 ALA HB1 . 19683 1
44 . 1 1 5 5 ALA HB2 H 1 1.461 . . . . . . A 5 ALA HB2 . 19683 1
45 . 1 1 5 5 ALA HB3 H 1 1.461 . . . . . . A 5 ALA HB3 . 19683 1
46 . 1 1 5 5 ALA CA C 13 55.360 . . . . . . A 5 ALA CA . 19683 1
47 . 1 1 5 5 ALA CB C 13 18.172 . . . . . . A 5 ALA CB . 19683 1
48 . 1 1 5 5 ALA N N 15 121.755 . . . . . . A 5 ALA N . 19683 1
49 . 1 1 6 6 GLN H H 1 8.148 . . . . . . A 6 GLN H . 19683 1
50 . 1 1 6 6 GLN HA H 1 4.217 . . . . . . A 6 GLN HA . 19683 1
51 . 1 1 6 6 GLN HB2 H 1 2.290 . . . . . . A 6 GLN HB2 . 19683 1
52 . 1 1 6 6 GLN HB3 H 1 2.012 . . . . . . A 6 GLN HB3 . 19683 1
53 . 1 1 6 6 GLN HG2 H 1 2.555 . . . . . . A 6 GLN HG2 . 19683 1
54 . 1 1 6 6 GLN HG3 H 1 2.456 . . . . . . A 6 GLN HG3 . 19683 1
55 . 1 1 6 6 GLN CA C 13 59.309 . . . . . . A 6 GLN CA . 19683 1
56 . 1 1 6 6 GLN CB C 13 28.519 . . . . . . A 6 GLN CB . 19683 1
57 . 1 1 6 6 GLN N N 15 119.671 . . . . . . A 6 GLN N . 19683 1
58 . 1 1 7 7 CYS H H 1 8.623 . . . . . . A 7 CYS H . 19683 1
59 . 1 1 7 7 CYS HA H 1 4.636 . . . . . . A 7 CYS HA . 19683 1
60 . 1 1 7 7 CYS HB2 H 1 3.173 . . . . . . A 7 CYS HB2 . 19683 1
61 . 1 1 7 7 CYS HB3 H 1 3.173 . . . . . . A 7 CYS HB3 . 19683 1
62 . 1 1 7 7 CYS CA C 13 60.891 . . . . . . A 7 CYS CA . 19683 1
63 . 1 1 7 7 CYS CB C 13 40.744 . . . . . . A 7 CYS CB . 19683 1
64 . 1 1 7 7 CYS N N 15 119.391 . . . . . . A 7 CYS N . 19683 1
65 . 1 1 8 8 ALA H H 1 8.498 . . . . . . A 8 ALA H . 19683 1
66 . 1 1 8 8 ALA HA H 1 4.404 . . . . . . A 8 ALA HA . 19683 1
67 . 1 1 8 8 ALA HB1 H 1 1.602 . . . . . . A 8 ALA HB1 . 19683 1
68 . 1 1 8 8 ALA HB2 H 1 1.602 . . . . . . A 8 ALA HB2 . 19683 1
69 . 1 1 8 8 ALA HB3 H 1 1.602 . . . . . . A 8 ALA HB3 . 19683 1
70 . 1 1 8 8 ALA CA C 13 55.588 . . . . . . A 8 ALA CA . 19683 1
71 . 1 1 8 8 ALA CB C 13 17.749 . . . . . . A 8 ALA CB . 19683 1
72 . 1 1 8 8 ALA N N 15 124.035 . . . . . . A 8 ALA N . 19683 1
73 . 1 1 9 9 ALA H H 1 7.724 . . . . . . A 9 ALA H . 19683 1
74 . 1 1 9 9 ALA HA H 1 4.277 . . . . . . A 9 ALA HA . 19683 1
75 . 1 1 9 9 ALA HB1 H 1 1.583 . . . . . . A 9 ALA HB1 . 19683 1
76 . 1 1 9 9 ALA HB2 H 1 1.583 . . . . . . A 9 ALA HB2 . 19683 1
77 . 1 1 9 9 ALA HB3 H 1 1.583 . . . . . . A 9 ALA HB3 . 19683 1
78 . 1 1 9 9 ALA CA C 13 55.352 . . . . . . A 9 ALA CA . 19683 1
79 . 1 1 9 9 ALA CB C 13 18.019 . . . . . . A 9 ALA CB . 19683 1
80 . 1 1 9 9 ALA N N 15 120.921 . . . . . . A 9 ALA N . 19683 1
81 . 1 1 10 10 LEU H H 1 8.184 . . . . . . A 10 LEU H . 19683 1
82 . 1 1 10 10 LEU HA H 1 4.244 . . . . . . A 10 LEU HA . 19683 1
83 . 1 1 10 10 LEU HB2 H 1 2.395 . . . . . . A 10 LEU HB2 . 19683 1
84 . 1 1 10 10 LEU HB3 H 1 2.020 . . . . . . A 10 LEU HB3 . 19683 1
85 . 1 1 10 10 LEU HG H 1 1.850 . . . . . . A 10 LEU HG . 19683 1
86 . 1 1 10 10 LEU HD11 H 1 1.126 . . . . . . A 10 LEU HD11 . 19683 1
87 . 1 1 10 10 LEU HD12 H 1 1.126 . . . . . . A 10 LEU HD12 . 19683 1
88 . 1 1 10 10 LEU HD13 H 1 1.126 . . . . . . A 10 LEU HD13 . 19683 1
89 . 1 1 10 10 LEU HD21 H 1 1.041 . . . . . . A 10 LEU HD21 . 19683 1
90 . 1 1 10 10 LEU HD22 H 1 1.041 . . . . . . A 10 LEU HD22 . 19683 1
91 . 1 1 10 10 LEU HD23 H 1 1.041 . . . . . . A 10 LEU HD23 . 19683 1
92 . 1 1 10 10 LEU CA C 13 57.752 . . . . . . A 10 LEU CA . 19683 1
93 . 1 1 10 10 LEU CB C 13 43.619 . . . . . . A 10 LEU CB . 19683 1
94 . 1 1 10 10 LEU N N 15 119.961 . . . . . . A 10 LEU N . 19683 1
95 . 1 1 11 11 TRP H H 1 8.788 . . . . . . A 11 TRP H . 19683 1
96 . 1 1 11 11 TRP HA H 1 3.701 . . . . . . A 11 TRP HA . 19683 1
97 . 1 1 11 11 TRP HB2 H 1 3.697 . . . . . . A 11 TRP HB2 . 19683 1
98 . 1 1 11 11 TRP HB3 H 1 3.280 . . . . . . A 11 TRP HB3 . 19683 1
99 . 1 1 11 11 TRP HD1 H 1 6.902 . . . . . . A 11 TRP HD1 . 19683 1
100 . 1 1 11 11 TRP HE1 H 1 9.976 . . . . . . A 11 TRP HE1 . 19683 1
101 . 1 1 11 11 TRP HE3 H 1 6.270 . . . . . . A 11 TRP HE3 . 19683 1
102 . 1 1 11 11 TRP HZ2 H 1 7.352 . . . . . . A 11 TRP HZ2 . 19683 1
103 . 1 1 11 11 TRP CA C 13 60.555 . . . . . . A 11 TRP CA . 19683 1
104 . 1 1 11 11 TRP CB C 13 28.132 . . . . . . A 11 TRP CB . 19683 1
105 . 1 1 11 11 TRP N N 15 120.212 . . . . . . A 11 TRP N . 19683 1
106 . 1 1 11 11 TRP NE1 N 15 128.588 . . . . . . A 11 TRP NE1 . 19683 1
107 . 1 1 12 12 LEU H H 1 7.733 . . . . . . A 12 LEU H . 19683 1
108 . 1 1 12 12 LEU HA H 1 3.803 . . . . . . A 12 LEU HA . 19683 1
109 . 1 1 12 12 LEU HB2 H 1 1.864 . . . . . . A 12 LEU HB2 . 19683 1
110 . 1 1 12 12 LEU HB3 H 1 1.685 . . . . . . A 12 LEU HB3 . 19683 1
111 . 1 1 12 12 LEU HG H 1 1.849 . . . . . . A 12 LEU HG . 19683 1
112 . 1 1 12 12 LEU HD11 H 1 0.959 . . . . . . A 12 LEU HD11 . 19683 1
113 . 1 1 12 12 LEU HD12 H 1 0.959 . . . . . . A 12 LEU HD12 . 19683 1
114 . 1 1 12 12 LEU HD13 H 1 0.959 . . . . . . A 12 LEU HD13 . 19683 1
115 . 1 1 12 12 LEU HD21 H 1 0.959 . . . . . . A 12 LEU HD21 . 19683 1
116 . 1 1 12 12 LEU HD22 H 1 0.959 . . . . . . A 12 LEU HD22 . 19683 1
117 . 1 1 12 12 LEU HD23 H 1 0.959 . . . . . . A 12 LEU HD23 . 19683 1
118 . 1 1 12 12 LEU CA C 13 58.041 . . . . . . A 12 LEU CA . 19683 1
119 . 1 1 12 12 LEU CB C 13 41.819 . . . . . . A 12 LEU CB . 19683 1
120 . 1 1 12 12 LEU N N 15 117.556 . . . . . . A 12 LEU N . 19683 1
121 . 1 1 13 13 GLN H H 1 7.738 . . . . . . A 13 GLN H . 19683 1
122 . 1 1 13 13 GLN HA H 1 3.947 . . . . . . A 13 GLN HA . 19683 1
123 . 1 1 13 13 GLN HB2 H 1 2.153 . . . . . . A 13 GLN HB2 . 19683 1
124 . 1 1 13 13 GLN HB3 H 1 1.990 . . . . . . A 13 GLN HB3 . 19683 1
125 . 1 1 13 13 GLN HG2 H 1 2.517 . . . . . . A 13 GLN HG2 . 19683 1
126 . 1 1 13 13 GLN HG3 H 1 2.303 . . . . . . A 13 GLN HG3 . 19683 1
127 . 1 1 13 13 GLN HE21 H 1 7.597 . . . . . . A 13 GLN HE21 . 19683 1
128 . 1 1 13 13 GLN HE22 H 1 6.943 . . . . . . A 13 GLN HE22 . 19683 1
129 . 1 1 13 13 GLN CA C 13 58.688 . . . . . . A 13 GLN CA . 19683 1
130 . 1 1 13 13 GLN CB C 13 29.016 . . . . . . A 13 GLN CB . 19683 1
131 . 1 1 13 13 GLN N N 15 118.567 . . . . . . A 13 GLN N . 19683 1
132 . 1 1 13 13 GLN NE2 N 15 112.561 . . . . . . A 13 GLN NE2 . 19683 1
133 . 1 1 14 14 CYS H H 1 8.213 . . . . . . A 14 CYS H . 19683 1
134 . 1 1 14 14 CYS HA H 1 4.335 . . . . . . A 14 CYS HA . 19683 1
135 . 1 1 14 14 CYS HB2 H 1 2.564 . . . . . . A 14 CYS HB2 . 19683 1
136 . 1 1 14 14 CYS HB3 H 1 2.564 . . . . . . A 14 CYS HB3 . 19683 1
137 . 1 1 14 14 CYS CA C 13 57.758 . . . . . . A 14 CYS CA . 19683 1
138 . 1 1 14 14 CYS CB C 13 38.714 . . . . . . A 14 CYS CB . 19683 1
139 . 1 1 14 14 CYS N N 15 118.351 . . . . . . A 14 CYS N . 19683 1
140 . 1 1 15 15 ALA H H 1 8.173 . . . . . . A 15 ALA H . 19683 1
141 . 1 1 15 15 ALA HA H 1 3.766 . . . . . . A 15 ALA HA . 19683 1
142 . 1 1 15 15 ALA HB1 H 1 0.717 . . . . . . A 15 ALA HB1 . 19683 1
143 . 1 1 15 15 ALA HB2 H 1 0.717 . . . . . . A 15 ALA HB2 . 19683 1
144 . 1 1 15 15 ALA HB3 H 1 0.717 . . . . . . A 15 ALA HB3 . 19683 1
145 . 1 1 15 15 ALA CA C 13 54.049 . . . . . . A 15 ALA CA . 19683 1
146 . 1 1 15 15 ALA CB C 13 17.783 . . . . . . A 15 ALA CB . 19683 1
147 . 1 1 15 15 ALA N N 15 121.693 . . . . . . A 15 ALA N . 19683 1
148 . 1 1 16 16 SER H H 1 7.607 . . . . . . A 16 SER H . 19683 1
149 . 1 1 16 16 SER HA H 1 4.337 . . . . . . A 16 SER HA . 19683 1
150 . 1 1 16 16 SER HB2 H 1 3.918 . . . . . . A 16 SER HB2 . 19683 1
151 . 1 1 16 16 SER HB3 H 1 3.918 . . . . . . A 16 SER HB3 . 19683 1
152 . 1 1 16 16 SER CA C 13 59.453 . . . . . . A 16 SER CA . 19683 1
153 . 1 1 16 16 SER CB C 13 63.733 . . . . . . A 16 SER CB . 19683 1
154 . 1 1 16 16 SER N N 15 111.866 . . . . . . A 16 SER N . 19683 1
155 . 1 1 17 17 GLY H H 1 7.841 . . . . . . A 17 GLY H . 19683 1
156 . 1 1 17 17 GLY HA2 H 1 3.997 . . . . . . A 17 GLY HA2 . 19683 1
157 . 1 1 17 17 GLY HA3 H 1 3.997 . . . . . . A 17 GLY HA3 . 19683 1
158 . 1 1 17 17 GLY CA C 13 45.606 . . . . . . A 17 GLY CA . 19683 1
159 . 1 1 17 17 GLY N N 15 109.738 . . . . . . A 17 GLY N . 19683 1
160 . 1 1 18 18 GLY H H 1 8.158 . . . . . . A 18 GLY H . 19683 1
161 . 1 1 18 18 GLY HA2 H 1 4.054 . . . . . . A 18 GLY HA2 . 19683 1
162 . 1 1 18 18 GLY HA3 H 1 3.944 . . . . . . A 18 GLY HA3 . 19683 1
163 . 1 1 18 18 GLY CA C 13 45.800 . . . . . . A 18 GLY CA . 19683 1
164 . 1 1 18 18 GLY N N 15 108.279 . . . . . . A 18 GLY N . 19683 1
165 . 1 1 19 19 THR H H 1 8.064 . . . . . . A 19 THR H . 19683 1
166 . 1 1 19 19 THR HA H 1 4.359 . . . . . . A 19 THR HA . 19683 1
167 . 1 1 19 19 THR HB H 1 4.261 . . . . . . A 19 THR HB . 19683 1
168 . 1 1 19 19 THR HG21 H 1 1.221 . . . . . . A 19 THR HG21 . 19683 1
169 . 1 1 19 19 THR HG22 H 1 1.221 . . . . . . A 19 THR HG22 . 19683 1
170 . 1 1 19 19 THR HG23 H 1 1.221 . . . . . . A 19 THR HG23 . 19683 1
171 . 1 1 19 19 THR CA C 13 62.334 . . . . . . A 19 THR CA . 19683 1
172 . 1 1 19 19 THR CB C 13 69.872 . . . . . . A 19 THR CB . 19683 1
173 . 1 1 19 19 THR N N 15 113.347 . . . . . . A 19 THR N . 19683 1
174 . 1 1 20 20 ILE H H 1 8.061 . . . . . . A 20 ILE H . 19683 1
175 . 1 1 20 20 ILE HA H 1 4.145 . . . . . . A 20 ILE HA . 19683 1
176 . 1 1 20 20 ILE HB H 1 1.883 . . . . . . A 20 ILE HB . 19683 1
177 . 1 1 20 20 ILE HG12 H 1 1.512 . . . . . . A 20 ILE HG12 . 19683 1
178 . 1 1 20 20 ILE HG13 H 1 1.512 . . . . . . A 20 ILE HG13 . 19683 1
179 . 1 1 20 20 ILE HG21 H 1 1.206 . . . . . . A 20 ILE HG21 . 19683 1
180 . 1 1 20 20 ILE HG22 H 1 1.206 . . . . . . A 20 ILE HG22 . 19683 1
181 . 1 1 20 20 ILE HG23 H 1 1.206 . . . . . . A 20 ILE HG23 . 19683 1
182 . 1 1 20 20 ILE HD11 H 1 0.919 . . . . . . A 20 ILE HD11 . 19683 1
183 . 1 1 20 20 ILE HD12 H 1 0.919 . . . . . . A 20 ILE HD12 . 19683 1
184 . 1 1 20 20 ILE HD13 H 1 0.919 . . . . . . A 20 ILE HD13 . 19683 1
185 . 1 1 20 20 ILE CA C 13 61.909 . . . . . . A 20 ILE CA . 19683 1
186 . 1 1 20 20 ILE CB C 13 38.328 . . . . . . A 20 ILE CB . 19683 1
187 . 1 1 20 20 ILE N N 15 122.333 . . . . . . A 20 ILE N . 19683 1
188 . 1 1 21 21 GLY H H 1 8.423 . . . . . . A 21 GLY H . 19683 1
189 . 1 1 21 21 GLY HA2 H 1 4.061 . . . . . . A 21 GLY HA2 . 19683 1
190 . 1 1 21 21 GLY HA3 H 1 3.899 . . . . . . A 21 GLY HA3 . 19683 1
191 . 1 1 21 21 GLY CA C 13 45.302 . . . . . . A 21 GLY CA . 19683 1
192 . 1 1 21 21 GLY N N 15 112.495 . . . . . . A 21 GLY N . 19683 1
193 . 1 1 22 22 CYS H H 1 8.284 . . . . . . A 22 CYS H . 19683 1
194 . 1 1 22 22 CYS HA H 1 4.673 . . . . . . A 22 CYS HA . 19683 1
195 . 1 1 22 22 CYS HB2 H 1 3.274 . . . . . . A 22 CYS HB2 . 19683 1
196 . 1 1 22 22 CYS HB3 H 1 3.035 . . . . . . A 22 CYS HB3 . 19683 1
197 . 1 1 22 22 CYS CA C 13 61.077 . . . . . . A 22 CYS CA . 19683 1
198 . 1 1 22 22 CYS CB C 13 33.832 . . . . . . A 22 CYS CB . 19683 1
199 . 1 1 22 22 CYS N N 15 120.376 . . . . . . A 22 CYS N . 19683 1
200 . 1 1 23 23 GLY H H 1 8.656 . . . . . . A 23 GLY H . 19683 1
201 . 1 1 23 23 GLY HA2 H 1 4.075 . . . . . . A 23 GLY HA2 . 19683 1
202 . 1 1 23 23 GLY HA3 H 1 3.957 . . . . . . A 23 GLY HA3 . 19683 1
203 . 1 1 23 23 GLY CA C 13 45.985 . . . . . . A 23 GLY CA . 19683 1
204 . 1 1 23 23 GLY N N 15 112.782 . . . . . . A 23 GLY N . 19683 1
205 . 1 1 24 24 GLY H H 1 8.371 . . . . . . A 24 GLY H . 19683 1
206 . 1 1 24 24 GLY HA2 H 1 3.986 . . . . . . A 24 GLY HA2 . 19683 1
207 . 1 1 24 24 GLY HA3 H 1 3.986 . . . . . . A 24 GLY HA3 . 19683 1
208 . 1 1 24 24 GLY CA C 13 45.478 . . . . . . A 24 GLY CA . 19683 1
209 . 1 1 24 24 GLY N N 15 108.819 . . . . . . A 24 GLY N . 19683 1
210 . 1 1 25 25 GLY H H 1 8.397 . . . . . . A 25 GLY H . 19683 1
211 . 1 1 25 25 GLY HA2 H 1 3.907 . . . . . . A 25 GLY HA2 . 19683 1
212 . 1 1 25 25 GLY HA3 H 1 3.907 . . . . . . A 25 GLY HA3 . 19683 1
213 . 1 1 25 25 GLY CA C 13 46.140 . . . . . . A 25 GLY CA . 19683 1
214 . 1 1 25 25 GLY N N 15 109.405 . . . . . . A 25 GLY N . 19683 1
215 . 1 1 26 26 ALA H H 1 8.064 . . . . . . A 26 ALA H . 19683 1
216 . 1 1 26 26 ALA HA H 1 4.161 . . . . . . A 26 ALA HA . 19683 1
217 . 1 1 26 26 ALA HB1 H 1 1.478 . . . . . . A 26 ALA HB1 . 19683 1
218 . 1 1 26 26 ALA HB2 H 1 1.478 . . . . . . A 26 ALA HB2 . 19683 1
219 . 1 1 26 26 ALA HB3 H 1 1.478 . . . . . . A 26 ALA HB3 . 19683 1
220 . 1 1 26 26 ALA CA C 13 54.815 . . . . . . A 26 ALA CA . 19683 1
221 . 1 1 26 26 ALA CB C 13 18.820 . . . . . . A 26 ALA CB . 19683 1
222 . 1 1 26 26 ALA N N 15 123.138 . . . . . . A 26 ALA N . 19683 1
223 . 1 1 27 27 VAL H H 1 8.102 . . . . . . A 27 VAL H . 19683 1
224 . 1 1 27 27 VAL HA H 1 3.775 . . . . . . A 27 VAL HA . 19683 1
225 . 1 1 27 27 VAL HB H 1 2.059 . . . . . . A 27 VAL HB . 19683 1
226 . 1 1 27 27 VAL HG11 H 1 1.070 . . . . . . A 27 VAL HG11 . 19683 1
227 . 1 1 27 27 VAL HG12 H 1 1.070 . . . . . . A 27 VAL HG12 . 19683 1
228 . 1 1 27 27 VAL HG13 H 1 1.070 . . . . . . A 27 VAL HG13 . 19683 1
229 . 1 1 27 27 VAL HG21 H 1 0.965 . . . . . . A 27 VAL HG21 . 19683 1
230 . 1 1 27 27 VAL HG22 H 1 0.965 . . . . . . A 27 VAL HG22 . 19683 1
231 . 1 1 27 27 VAL HG23 H 1 0.965 . . . . . . A 27 VAL HG23 . 19683 1
232 . 1 1 27 27 VAL CA C 13 65.836 . . . . . . A 27 VAL CA . 19683 1
233 . 1 1 27 27 VAL CB C 13 31.908 . . . . . . A 27 VAL CB . 19683 1
234 . 1 1 27 27 VAL N N 15 119.932 . . . . . . A 27 VAL N . 19683 1
235 . 1 1 28 28 ALA H H 1 8.032 . . . . . . A 28 ALA H . 19683 1
236 . 1 1 28 28 ALA HA H 1 4.249 . . . . . . A 28 ALA HA . 19683 1
237 . 1 1 28 28 ALA HB1 H 1 1.517 . . . . . . A 28 ALA HB1 . 19683 1
238 . 1 1 28 28 ALA HB2 H 1 1.517 . . . . . . A 28 ALA HB2 . 19683 1
239 . 1 1 28 28 ALA HB3 H 1 1.517 . . . . . . A 28 ALA HB3 . 19683 1
240 . 1 1 28 28 ALA CA C 13 55.751 . . . . . . A 28 ALA CA . 19683 1
241 . 1 1 28 28 ALA CB C 13 18.360 . . . . . . A 28 ALA CB . 19683 1
242 . 1 1 28 28 ALA N N 15 122.939 . . . . . . A 28 ALA N . 19683 1
243 . 1 1 29 29 CYS H H 1 8.278 . . . . . . A 29 CYS H . 19683 1
244 . 1 1 29 29 CYS HA H 1 4.452 . . . . . . A 29 CYS HA . 19683 1
245 . 1 1 29 29 CYS HB2 H 1 3.211 . . . . . . A 29 CYS HB2 . 19683 1
246 . 1 1 29 29 CYS HB3 H 1 3.082 . . . . . . A 29 CYS HB3 . 19683 1
247 . 1 1 29 29 CYS CA C 13 56.997 . . . . . . A 29 CYS CA . 19683 1
248 . 1 1 29 29 CYS CB C 13 38.880 . . . . . . A 29 CYS CB . 19683 1
249 . 1 1 29 29 CYS N N 15 114.339 . . . . . . A 29 CYS N . 19683 1
250 . 1 1 30 30 GLN H H 1 8.118 . . . . . . A 30 GLN H . 19683 1
251 . 1 1 30 30 GLN HA H 1 4.086 . . . . . . A 30 GLN HA . 19683 1
252 . 1 1 30 30 GLN HB2 H 1 2.208 . . . . . . A 30 GLN HB2 . 19683 1
253 . 1 1 30 30 GLN HB3 H 1 2.208 . . . . . . A 30 GLN HB3 . 19683 1
254 . 1 1 30 30 GLN HG2 H 1 2.417 . . . . . . A 30 GLN HG2 . 19683 1
255 . 1 1 30 30 GLN HG3 H 1 2.417 . . . . . . A 30 GLN HG3 . 19683 1
256 . 1 1 30 30 GLN HE21 H 1 7.416 . . . . . . A 30 GLN HE21 . 19683 1
257 . 1 1 30 30 GLN HE22 H 1 6.851 . . . . . . A 30 GLN HE22 . 19683 1
258 . 1 1 30 30 GLN CA C 13 59.203 . . . . . . A 30 GLN CA . 19683 1
259 . 1 1 30 30 GLN CB C 13 28.233 . . . . . . A 30 GLN CB . 19683 1
260 . 1 1 30 30 GLN N N 15 121.500 . . . . . . A 30 GLN N . 19683 1
261 . 1 1 30 30 GLN NE2 N 15 111.492 . . . . . . A 30 GLN NE2 . 19683 1
262 . 1 1 31 31 ASN H H 1 8.724 . . . . . . A 31 ASN H . 19683 1
263 . 1 1 31 31 ASN HA H 1 4.532 . . . . . . A 31 ASN HA . 19683 1
264 . 1 1 31 31 ASN HB2 H 1 3.008 . . . . . . A 31 ASN HB2 . 19683 1
265 . 1 1 31 31 ASN HB3 H 1 2.874 . . . . . . A 31 ASN HB3 . 19683 1
266 . 1 1 31 31 ASN HD21 H 1 7.417 . . . . . . A 31 ASN HD21 . 19683 1
267 . 1 1 31 31 ASN HD22 H 1 7.088 . . . . . . A 31 ASN HD22 . 19683 1
268 . 1 1 31 31 ASN CA C 13 59.417 . . . . . . A 31 ASN CA . 19683 1
269 . 1 1 31 31 ASN CB C 13 38.533 . . . . . . A 31 ASN CB . 19683 1
270 . 1 1 31 31 ASN N N 15 119.134 . . . . . . A 31 ASN N . 19683 1
271 . 1 1 31 31 ASN ND2 N 15 111.448 . . . . . . A 31 ASN ND2 . 19683 1
272 . 1 1 32 32 TYR H H 1 8.869 . . . . . . A 32 TYR H . 19683 1
273 . 1 1 32 32 TYR HA H 1 3.895 . . . . . . A 32 TYR HA . 19683 1
274 . 1 1 32 32 TYR HB2 H 1 3.362 . . . . . . A 32 TYR HB2 . 19683 1
275 . 1 1 32 32 TYR HB3 H 1 3.203 . . . . . . A 32 TYR HB3 . 19683 1
276 . 1 1 32 32 TYR HD1 H 1 7.270 . . . . . . A 32 TYR HD1 . 19683 1
277 . 1 1 32 32 TYR HD2 H 1 7.270 . . . . . . A 32 TYR HD2 . 19683 1
278 . 1 1 32 32 TYR HE1 H 1 6.886 . . . . . . A 32 TYR HE1 . 19683 1
279 . 1 1 32 32 TYR HE2 H 1 6.886 . . . . . . A 32 TYR HE2 . 19683 1
280 . 1 1 32 32 TYR CA C 13 62.984 . . . . . . A 32 TYR CA . 19683 1
281 . 1 1 32 32 TYR CB C 13 38.643 . . . . . . A 32 TYR CB . 19683 1
282 . 1 1 32 32 TYR N N 15 122.198 . . . . . . A 32 TYR N . 19683 1
283 . 1 1 33 33 ARG H H 1 8.068 . . . . . . A 33 ARG H . 19683 1
284 . 1 1 33 33 ARG HA H 1 3.904 . . . . . . A 33 ARG HA . 19683 1
285 . 1 1 33 33 ARG HB2 H 1 2.031 . . . . . . A 33 ARG HB2 . 19683 1
286 . 1 1 33 33 ARG HB3 H 1 1.956 . . . . . . A 33 ARG HB3 . 19683 1
287 . 1 1 33 33 ARG HG2 H 1 1.707 . . . . . . A 33 ARG HG2 . 19683 1
288 . 1 1 33 33 ARG HG3 H 1 1.707 . . . . . . A 33 ARG HG3 . 19683 1
289 . 1 1 33 33 ARG HD2 H 1 3.301 . . . . . . A 33 ARG HD2 . 19683 1
290 . 1 1 33 33 ARG HD3 H 1 3.229 . . . . . . A 33 ARG HD3 . 19683 1
291 . 1 1 33 33 ARG CA C 13 59.299 . . . . . . A 33 ARG CA . 19683 1
292 . 1 1 33 33 ARG CB C 13 30.135 . . . . . . A 33 ARG CB . 19683 1
293 . 1 1 33 33 ARG N N 15 117.088 . . . . . . A 33 ARG N . 19683 1
294 . 1 1 34 34 GLN H H 1 7.705 . . . . . . A 34 GLN H . 19683 1
295 . 1 1 34 34 GLN HA H 1 3.947 . . . . . . A 34 GLN HA . 19683 1
296 . 1 1 34 34 GLN HB2 H 1 1.688 . . . . . . A 34 GLN HB2 . 19683 1
297 . 1 1 34 34 GLN HB3 H 1 1.299 . . . . . . A 34 GLN HB3 . 19683 1
298 . 1 1 34 34 GLN HG2 H 1 1.822 . . . . . . A 34 GLN HG2 . 19683 1
299 . 1 1 34 34 GLN HG3 H 1 1.822 . . . . . . A 34 GLN HG3 . 19683 1
300 . 1 1 34 34 GLN HE21 H 1 7.284 . . . . . . A 34 GLN HE21 . 19683 1
301 . 1 1 34 34 GLN HE22 H 1 6.766 . . . . . . A 34 GLN HE22 . 19683 1
302 . 1 1 34 34 GLN CA C 13 58.242 . . . . . . A 34 GLN CA . 19683 1
303 . 1 1 34 34 GLN CB C 13 29.327 . . . . . . A 34 GLN CB . 19683 1
304 . 1 1 34 34 GLN N N 15 115.563 . . . . . . A 34 GLN N . 19683 1
305 . 1 1 34 34 GLN NE2 N 15 110.644 . . . . . . A 34 GLN NE2 . 19683 1
306 . 1 1 35 35 PHE H H 1 7.993 . . . . . . A 35 PHE H . 19683 1
307 . 1 1 35 35 PHE HA H 1 4.986 . . . . . . A 35 PHE HA . 19683 1
308 . 1 1 35 35 PHE HB2 H 1 3.339 . . . . . . A 35 PHE HB2 . 19683 1
309 . 1 1 35 35 PHE HB3 H 1 2.879 . . . . . . A 35 PHE HB3 . 19683 1
310 . 1 1 35 35 PHE CA C 13 58.275 . . . . . . A 35 PHE CA . 19683 1
311 . 1 1 35 35 PHE CB C 13 41.424 . . . . . . A 35 PHE CB . 19683 1
312 . 1 1 35 35 PHE N N 15 113.257 . . . . . . A 35 PHE N . 19683 1
313 . 1 1 36 36 CYS H H 1 8.095 . . . . . . A 36 CYS H . 19683 1
314 . 1 1 36 36 CYS HA H 1 4.857 . . . . . . A 36 CYS HA . 19683 1
315 . 1 1 36 36 CYS HB2 H 1 2.622 . . . . . . A 36 CYS HB2 . 19683 1
316 . 1 1 36 36 CYS HB3 H 1 2.162 . . . . . . A 36 CYS HB3 . 19683 1
317 . 1 1 36 36 CYS CA C 13 55.826 . . . . . . A 36 CYS CA . 19683 1
318 . 1 1 36 36 CYS CB C 13 43.065 . . . . . . A 36 CYS CB . 19683 1
319 . 1 1 36 36 CYS N N 15 117.360 . . . . . . A 36 CYS N . 19683 1
320 . 1 1 37 37 ARG H H 1 7.524 . . . . . . A 37 ARG H . 19683 1
321 . 1 1 37 37 ARG HA H 1 4.186 . . . . . . A 37 ARG HA . 19683 1
322 . 1 1 37 37 ARG HB2 H 1 1.893 . . . . . . A 37 ARG HB2 . 19683 1
323 . 1 1 37 37 ARG HB3 H 1 1.762 . . . . . . A 37 ARG HB3 . 19683 1
324 . 1 1 37 37 ARG HG2 H 1 1.603 . . . . . . A 37 ARG HG2 . 19683 1
325 . 1 1 37 37 ARG HG3 H 1 1.531 . . . . . . A 37 ARG HG3 . 19683 1
326 . 1 1 37 37 ARG CA C 13 57.350 . . . . . . A 37 ARG CA . 19683 1
327 . 1 1 37 37 ARG N N 15 125.329 . . . . . . A 37 ARG N . 19683 1
stop_
save_