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 25570
_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_1
_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 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_Assigned_chem_shift_list.Chem_shift_15N_err 0.1
_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' 1 $sample_1 isotropic 25570 1
2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 25570 1
3 '2D 1H-15N HSQC' 1 $sample_1 isotropic 25570 1
4 '2D 1H-13C HSQC' 1 $sample_1 isotropic 25570 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 HIS HA H 1 4.261 0.01 . 1 . . . A 1 HIS HA . 25570 1
2 . 1 1 1 1 HIS HB2 H 1 3.246 0.005 . 1 . . . A 1 HIS HB2 . 25570 1
3 . 1 1 1 1 HIS HB3 H 1 3.246 0.005 . 1 . . . A 1 HIS HB3 . 25570 1
4 . 1 1 1 1 HIS HD2 H 1 7.368 0.01 . 1 . . . A 1 HIS HD2 . 25570 1
5 . 1 1 1 1 HIS HE1 H 1 8.618 0.01 . 1 . . . A 1 HIS HE1 . 25570 1
6 . 1 1 1 1 HIS CA C 13 55.309 0.1 . 1 . . . A 1 HIS CA . 25570 1
7 . 1 1 1 1 HIS CB C 13 29.192 0.1 . 1 . . . A 1 HIS CB . 25570 1
8 . 1 1 1 1 HIS CD2 C 13 122.325 0.1 . 1 . . . A 1 HIS CD2 . 25570 1
9 . 1 1 1 1 HIS CE1 C 13 138.095 0.1 . 1 . . . A 1 HIS CE1 . 25570 1
10 . 1 1 2 2 SER H H 1 8.406 0.001 . 1 . . . A 2 SER H . 25570 1
11 . 1 1 2 2 SER HA H 1 4.552 0.001 . 1 . . . A 2 SER HA . 25570 1
12 . 1 1 2 2 SER HB2 H 1 3.706 0.01 . 2 . . . A 2 SER HB2 . 25570 1
13 . 1 1 2 2 SER HB3 H 1 3.672 0.01 . 2 . . . A 2 SER HB3 . 25570 1
14 . 1 1 2 2 SER CA C 13 58.308 0.1 . 1 . . . A 2 SER CA . 25570 1
15 . 1 1 2 2 SER CB C 13 64.680 0.008 . 1 . . . A 2 SER CB . 25570 1
16 . 1 1 2 2 SER N N 15 118.292 0.1 . 1 . . . A 2 SER N . 25570 1
17 . 1 1 3 3 VAL H H 1 8.049 0.003 . 1 . . . A 3 VAL H . 25570 1
18 . 1 1 3 3 VAL HA H 1 4.171 0.001 . 1 . . . A 3 VAL HA . 25570 1
19 . 1 1 3 3 VAL HB H 1 2.037 0.002 . 1 . . . A 3 VAL HB . 25570 1
20 . 1 1 3 3 VAL HG11 H 1 0.790 0.01 . 1 . . . A 3 VAL HG11 . 25570 1
21 . 1 1 3 3 VAL HG12 H 1 0.790 0.01 . 1 . . . A 3 VAL HG12 . 25570 1
22 . 1 1 3 3 VAL HG13 H 1 0.790 0.01 . 1 . . . A 3 VAL HG13 . 25570 1
23 . 1 1 3 3 VAL HG21 H 1 0.766 0.01 . 1 . . . A 3 VAL HG21 . 25570 1
24 . 1 1 3 3 VAL HG22 H 1 0.766 0.01 . 1 . . . A 3 VAL HG22 . 25570 1
25 . 1 1 3 3 VAL HG23 H 1 0.766 0.01 . 1 . . . A 3 VAL HG23 . 25570 1
26 . 1 1 3 3 VAL CA C 13 62.309 0.1 . 1 . . . A 3 VAL CA . 25570 1
27 . 1 1 3 3 VAL CB C 13 33.033 0.1 . 1 . . . A 3 VAL CB . 25570 1
28 . 1 1 3 3 VAL CG1 C 13 21.744 0.1 . 2 . . . A 3 VAL CG1 . 25570 1
29 . 1 1 3 3 VAL CG2 C 13 20.639 0.1 . 2 . . . A 3 VAL CG2 . 25570 1
30 . 1 1 3 3 VAL N N 15 120.313 0.1 . 1 . . . A 3 VAL N . 25570 1
31 . 1 1 4 4 SER H H 1 8.172 0.001 . 1 . . . A 4 SER H . 25570 1
32 . 1 1 4 4 SER HA H 1 4.228 0.002 . 1 . . . A 4 SER HA . 25570 1
33 . 1 1 4 4 SER HB2 H 1 3.742 0.001 . 2 . . . A 4 SER HB2 . 25570 1
34 . 1 1 4 4 SER HB3 H 1 3.671 0.01 . 2 . . . A 4 SER HB3 . 25570 1
35 . 1 1 4 4 SER CA C 13 59.230 0.1 . 1 . . . A 4 SER CA . 25570 1
36 . 1 1 4 4 SER CB C 13 64.237 0.007 . 1 . . . A 4 SER CB . 25570 1
37 . 1 1 4 4 SER N N 15 118.475 0.1 . 1 . . . A 4 SER N . 25570 1
38 . 1 1 5 5 HIS H H 1 8.074 0.003 . 1 . . . A 5 HIS H . 25570 1
39 . 1 1 5 5 HIS HA H 1 4.595 0.001 . 1 . . . A 5 HIS HA . 25570 1
40 . 1 1 5 5 HIS HB2 H 1 3.213 0.001 . 2 . . . A 5 HIS HB2 . 25570 1
41 . 1 1 5 5 HIS HB3 H 1 3.037 0.001 . 2 . . . A 5 HIS HB3 . 25570 1
42 . 1 1 5 5 HIS HD2 H 1 7.177 0.01 . 1 . . . A 5 HIS HD2 . 25570 1
43 . 1 1 5 5 HIS HE1 H 1 8.410 0.01 . 1 . . . A 5 HIS HE1 . 25570 1
44 . 1 1 5 5 HIS CA C 13 55.502 0.1 . 1 . . . A 5 HIS CA . 25570 1
45 . 1 1 5 5 HIS CB C 13 28.866 0.003 . 1 . . . A 5 HIS CB . 25570 1
46 . 1 1 5 5 HIS CD2 C 13 120.751 0.1 . 1 . . . A 5 HIS CD2 . 25570 1
47 . 1 1 5 5 HIS CE1 C 13 136.729 0.1 . 1 . . . A 5 HIS CE1 . 25570 1
48 . 1 1 5 5 HIS N N 15 119.435 0.1 . 1 . . . A 5 HIS N . 25570 1
49 . 1 1 6 6 ALA H H 1 8.141 0.004 . 1 . . . A 6 ALA H . 25570 1
50 . 1 1 6 6 ALA HA H 1 4.250 0.001 . 1 . . . A 6 ALA HA . 25570 1
51 . 1 1 6 6 ALA HB1 H 1 1.232 0.002 . 1 . . . A 6 ALA HB1 . 25570 1
52 . 1 1 6 6 ALA HB2 H 1 1.232 0.002 . 1 . . . A 6 ALA HB2 . 25570 1
53 . 1 1 6 6 ALA HB3 H 1 1.232 0.002 . 1 . . . A 6 ALA HB3 . 25570 1
54 . 1 1 6 6 ALA CA C 13 53.201 0.1 . 1 . . . A 6 ALA CA . 25570 1
55 . 1 1 6 6 ALA CB C 13 19.496 0.1 . 1 . . . A 6 ALA CB . 25570 1
56 . 1 1 6 6 ALA N N 15 123.886 0.1 . 1 . . . A 6 ALA N . 25570 1
57 . 1 1 7 7 ARG H H 1 8.005 0.005 . 1 . . . A 7 ARG H . 25570 1
58 . 1 1 7 7 ARG HA H 1 4.299 0.002 . 1 . . . A 7 ARG HA . 25570 1
59 . 1 1 7 7 ARG HB2 H 1 1.816 0.002 . 2 . . . A 7 ARG HB2 . 25570 1
60 . 1 1 7 7 ARG HB3 H 1 1.692 0.01 . 2 . . . A 7 ARG HB3 . 25570 1
61 . 1 1 7 7 ARG HD2 H 1 3.051 0.01 . 1 . . . A 7 ARG HD2 . 25570 1
62 . 1 1 7 7 ARG HD3 H 1 3.051 0.01 . 1 . . . A 7 ARG HD3 . 25570 1
63 . 1 1 7 7 ARG HE H 1 6.960 0.01 . 1 . . . A 7 ARG HE . 25570 1
64 . 1 1 7 7 ARG CA C 13 55.179 0.1 . 1 . . . A 7 ARG CA . 25570 1
65 . 1 1 7 7 ARG CB C 13 31.075 0.012 . 1 . . . A 7 ARG CB . 25570 1
66 . 1 1 7 7 ARG CD C 13 43.855 0.1 . 1 . . . A 7 ARG CD . 25570 1
67 . 1 1 7 7 ARG N N 15 115.319 0.1 . 1 . . . A 7 ARG N . 25570 1
68 . 1 1 8 8 PRO HA H 1 4.271 0.001 . 1 . . . A 8 PRO HA . 25570 1
69 . 1 1 8 8 PRO HB2 H 1 2.139 0.01 . 2 . . . A 8 PRO HB2 . 25570 1
70 . 1 1 8 8 PRO HB3 H 1 1.729 0.01 . 2 . . . A 8 PRO HB3 . 25570 1
71 . 1 1 8 8 PRO HG2 H 1 1.900 0.01 . 1 . . . A 8 PRO HG2 . 25570 1
72 . 1 1 8 8 PRO HG3 H 1 1.900 0.01 . 1 . . . A 8 PRO HG3 . 25570 1
73 . 1 1 8 8 PRO HD2 H 1 3.470 0.010 . 1 . . . A 8 PRO HD2 . 25570 1
74 . 1 1 8 8 PRO HD3 H 1 3.470 0.010 . 1 . . . A 8 PRO HD3 . 25570 1
75 . 1 1 8 8 PRO CA C 13 64.761 0.1 . 1 . . . A 8 PRO CA . 25570 1
76 . 1 1 8 8 PRO CB C 13 31.878 0.037 . 1 . . . A 8 PRO CB . 25570 1
77 . 1 1 8 8 PRO CG C 13 27.984 0.1 . 1 . . . A 8 PRO CG . 25570 1
78 . 1 1 8 8 PRO CD C 13 51.183 0.1 . 1 . . . A 8 PRO CD . 25570 1
79 . 1 1 9 9 ARG H H 1 8.418 0.003 . 1 . . . A 9 ARG H . 25570 1
80 . 1 1 9 9 ARG HA H 1 3.978 0.001 . 1 . . . A 9 ARG HA . 25570 1
81 . 1 1 9 9 ARG HB2 H 1 1.913 0.008 . 2 . . . A 9 ARG HB2 . 25570 1
82 . 1 1 9 9 ARG HB3 H 1 1.805 0.001 . 2 . . . A 9 ARG HB3 . 25570 1
83 . 1 1 9 9 ARG HG2 H 1 1.706 0.01 . 2 . . . A 9 ARG HG2 . 25570 1
84 . 1 1 9 9 ARG HG3 H 1 1.530 0.01 . 2 . . . A 9 ARG HG3 . 25570 1
85 . 1 1 9 9 ARG HD2 H 1 3.123 0.01 . 1 . . . A 9 ARG HD2 . 25570 1
86 . 1 1 9 9 ARG HD3 H 1 3.123 0.01 . 1 . . . A 9 ARG HD3 . 25570 1
87 . 1 1 9 9 ARG HE H 1 7.010 0.01 . 1 . . . A 9 ARG HE . 25570 1
88 . 1 1 9 9 ARG CA C 13 60.525 0.1 . 1 . . . A 9 ARG CA . 25570 1
89 . 1 1 9 9 ARG CB C 13 30.217 0.1 . 1 . . . A 9 ARG CB . 25570 1
90 . 1 1 9 9 ARG CD C 13 44.339 0.1 . 1 . . . A 9 ARG CD . 25570 1
91 . 1 1 10 10 TRP H H 1 7.449 0.004 . 1 . . . A 10 TRP H . 25570 1
92 . 1 1 10 10 TRP HA H 1 4.275 0.002 . 1 . . . A 10 TRP HA . 25570 1
93 . 1 1 10 10 TRP HB2 H 1 3.301 0.061 . 2 . . . A 10 TRP HB2 . 25570 1
94 . 1 1 10 10 TRP HE3 H 1 7.218 0.01 . 1 . . . A 10 TRP HE3 . 25570 1
95 . 1 1 10 10 TRP HZ2 H 1 7.369 0.01 . 1 . . . A 10 TRP HZ2 . 25570 1
96 . 1 1 10 10 TRP HZ3 H 1 6.853 0.01 . 1 . . . A 10 TRP HZ3 . 25570 1
97 . 1 1 10 10 TRP HH2 H 1 6.982 0.01 . 1 . . . A 10 TRP HH2 . 25570 1
98 . 1 1 10 10 TRP CA C 13 59.269 0.1 . 1 . . . A 10 TRP CA . 25570 1
99 . 1 1 10 10 TRP CE3 C 13 121.292 0.1 . 1 . . . A 10 TRP CE3 . 25570 1
100 . 1 1 10 10 TRP CZ2 C 13 115.019 0.1 . 1 . . . A 10 TRP CZ2 . 25570 1
101 . 1 1 10 10 TRP CZ3 C 13 121.554 0.1 . 1 . . . A 10 TRP CZ3 . 25570 1
102 . 1 1 10 10 TRP CH2 C 13 124.534 0.1 . 1 . . . A 10 TRP CH2 . 25570 1
103 . 1 1 10 10 TRP N N 15 112.718 0.1 . 1 . . . A 10 TRP N . 25570 1
104 . 1 1 11 11 PHE HB2 H 1 2.842 0.01 . 2 . . . A 11 PHE HB2 . 25570 1
105 . 1 1 11 11 PHE HB3 H 1 2.795 0.01 . 2 . . . A 11 PHE HB3 . 25570 1
106 . 1 1 11 11 PHE CB C 13 38.444 0.1 . 1 . . . A 11 PHE CB . 25570 1
107 . 1 1 12 12 TRP HA H 1 4.269 0.002 . 1 . . . A 12 TRP HA . 25570 1
108 . 1 1 12 12 TRP HB2 H 1 3.160 0.001 . 2 . . . A 12 TRP HB2 . 25570 1
109 . 1 1 12 12 TRP HB3 H 1 2.936 0.001 . 2 . . . A 12 TRP HB3 . 25570 1
110 . 1 1 12 12 TRP HE3 H 1 7.343 0.01 . 1 . . . A 12 TRP HE3 . 25570 1
111 . 1 1 12 12 TRP HZ2 H 1 7.427 0.01 . 1 . . . A 12 TRP HZ2 . 25570 1
112 . 1 1 12 12 TRP HZ3 H 1 6.805 0.01 . 1 . . . A 12 TRP HZ3 . 25570 1
113 . 1 1 12 12 TRP HH2 H 1 7.054 0.01 . 1 . . . A 12 TRP HH2 . 25570 1
114 . 1 1 12 12 TRP CE3 C 13 121.184 0.1 . 1 . . . A 12 TRP CE3 . 25570 1
115 . 1 1 12 12 TRP CZ2 C 13 115.344 0.1 . 1 . . . A 12 TRP CZ2 . 25570 1
116 . 1 1 12 12 TRP CZ3 C 13 121.633 0.1 . 1 . . . A 12 TRP CZ3 . 25570 1
117 . 1 1 12 12 TRP CH2 C 13 124.740 0.1 . 1 . . . A 12 TRP CH2 . 25570 1
118 . 1 1 13 13 PHE H H 1 7.954 0.027 . 1 . . . A 13 PHE H . 25570 1
119 . 1 1 13 13 PHE HA H 1 4.205 0.003 . 1 . . . A 13 PHE HA . 25570 1
120 . 1 1 13 13 PHE HB2 H 1 3.045 0.002 . 1 . . . A 13 PHE HB2 . 25570 1
121 . 1 1 13 13 PHE HB3 H 1 3.045 0.002 . 1 . . . A 13 PHE HB3 . 25570 1
122 . 1 1 13 13 PHE HD1 H 1 7.065 0.01 . 1 . . . A 13 PHE HD1 . 25570 1
123 . 1 1 13 13 PHE HD2 H 1 7.065 0.01 . 1 . . . A 13 PHE HD2 . 25570 1
124 . 1 1 13 13 PHE CA C 13 61.211 0.1 . 1 . . . A 13 PHE CA . 25570 1
125 . 1 1 13 13 PHE CB C 13 39.699 0.1 . 1 . . . A 13 PHE CB . 25570 1
126 . 1 1 13 13 PHE CD1 C 13 131.359 0.1 . 1 . . . A 13 PHE CD1 . 25570 1
127 . 1 1 13 13 PHE CD2 C 13 131.359 0.1 . 1 . . . A 13 PHE CD2 . 25570 1
128 . 1 1 13 13 PHE N N 15 121.217 0.1 . 1 . . . A 13 PHE N . 25570 1
129 . 1 1 14 14 SER H H 1 7.990 0.020 . 1 . . . A 14 SER H . 25570 1
130 . 1 1 14 14 SER HA H 1 3.882 0.005 . 1 . . . A 14 SER HA . 25570 1
131 . 1 1 14 14 SER HB2 H 1 3.692 0.001 . 1 . . . A 14 SER HB2 . 25570 1
132 . 1 1 14 14 SER HB3 H 1 3.692 0.001 . 1 . . . A 14 SER HB3 . 25570 1
133 . 1 1 14 14 SER CA C 13 63.844 0.1 . 1 . . . A 14 SER CA . 25570 1
134 . 1 1 14 14 SER CB C 13 63.332 0.1 . 1 . . . A 14 SER CB . 25570 1
135 . 1 1 14 14 SER N N 15 119.689 0.1 . 1 . . . A 14 SER N . 25570 1
136 . 1 1 15 15 LEU H H 1 7.356 0.002 . 1 . . . A 15 LEU H . 25570 1
137 . 1 1 15 15 LEU HA H 1 3.769 0.003 . 1 . . . A 15 LEU HA . 25570 1
138 . 1 1 15 15 LEU HB2 H 1 1.527 0.003 . 2 . . . A 15 LEU HB2 . 25570 1
139 . 1 1 15 15 LEU HB3 H 1 1.333 0.003 . 2 . . . A 15 LEU HB3 . 25570 1
140 . 1 1 15 15 LEU HG H 1 1.324 0.01 . 1 . . . A 15 LEU HG . 25570 1
141 . 1 1 15 15 LEU HD11 H 1 0.560 0.01 . 1 . . . A 15 LEU HD11 . 25570 1
142 . 1 1 15 15 LEU HD12 H 1 0.560 0.01 . 1 . . . A 15 LEU HD12 . 25570 1
143 . 1 1 15 15 LEU HD13 H 1 0.560 0.01 . 1 . . . A 15 LEU HD13 . 25570 1
144 . 1 1 15 15 LEU HD21 H 1 0.532 0.01 . 1 . . . A 15 LEU HD21 . 25570 1
145 . 1 1 15 15 LEU HD22 H 1 0.532 0.01 . 1 . . . A 15 LEU HD22 . 25570 1
146 . 1 1 15 15 LEU HD23 H 1 0.532 0.01 . 1 . . . A 15 LEU HD23 . 25570 1
147 . 1 1 15 15 LEU CA C 13 58.314 0.1 . 1 . . . A 15 LEU CA . 25570 1
148 . 1 1 15 15 LEU CB C 13 41.922 0.1 . 1 . . . A 15 LEU CB . 25570 1
149 . 1 1 15 15 LEU CG C 13 26.997 0.1 . 1 . . . A 15 LEU CG . 25570 1
150 . 1 1 15 15 LEU CD1 C 13 24.043 0.1 . 2 . . . A 15 LEU CD1 . 25570 1
151 . 1 1 15 15 LEU CD2 C 13 25.807 0.1 . 2 . . . A 15 LEU CD2 . 25570 1
152 . 1 1 15 15 LEU N N 15 120.731 0.1 . 1 . . . A 15 LEU N . 25570 1
153 . 1 1 16 16 LEU H H 1 7.596 0.005 . 1 . . . A 16 LEU H . 25570 1
154 . 1 1 16 16 LEU HA H 1 3.840 0.002 . 1 . . . A 16 LEU HA . 25570 1
155 . 1 1 16 16 LEU HB2 H 1 1.675 0.002 . 2 . . . A 16 LEU HB2 . 25570 1
156 . 1 1 16 16 LEU HB3 H 1 1.602 0.003 . 2 . . . A 16 LEU HB3 . 25570 1
157 . 1 1 16 16 LEU HG H 1 1.612 0.01 . 1 . . . A 16 LEU HG . 25570 1
158 . 1 1 16 16 LEU HD11 H 1 0.766 0.01 . 1 . . . A 16 LEU HD11 . 25570 1
159 . 1 1 16 16 LEU HD12 H 1 0.766 0.01 . 1 . . . A 16 LEU HD12 . 25570 1
160 . 1 1 16 16 LEU HD13 H 1 0.766 0.01 . 1 . . . A 16 LEU HD13 . 25570 1
161 . 1 1 16 16 LEU HD21 H 1 0.726 0.01 . 1 . . . A 16 LEU HD21 . 25570 1
162 . 1 1 16 16 LEU HD22 H 1 0.726 0.01 . 1 . . . A 16 LEU HD22 . 25570 1
163 . 1 1 16 16 LEU HD23 H 1 0.726 0.01 . 1 . . . A 16 LEU HD23 . 25570 1
164 . 1 1 16 16 LEU CA C 13 58.498 0.1 . 1 . . . A 16 LEU CA . 25570 1
165 . 1 1 16 16 LEU CB C 13 41.934 0.012 . 1 . . . A 16 LEU CB . 25570 1
166 . 1 1 16 16 LEU CG C 13 27.491 0.1 . 1 . . . A 16 LEU CG . 25570 1
167 . 1 1 16 16 LEU CD1 C 13 24.778 0.1 . 2 . . . A 16 LEU CD1 . 25570 1
168 . 1 1 16 16 LEU CD2 C 13 25.010 0.1 . 2 . . . A 16 LEU CD2 . 25570 1
169 . 1 1 16 16 LEU N N 15 118.509 0.1 . 1 . . . A 16 LEU N . 25570 1
170 . 1 1 17 17 LEU H H 1 7.707 0.002 . 1 . . . A 17 LEU H . 25570 1
171 . 1 1 17 17 LEU HA H 1 3.752 0.003 . 1 . . . A 17 LEU HA . 25570 1
172 . 1 1 17 17 LEU HB2 H 1 1.572 0.001 . 2 . . . A 17 LEU HB2 . 25570 1
173 . 1 1 17 17 LEU HB3 H 1 1.360 0.003 . 2 . . . A 17 LEU HB3 . 25570 1
174 . 1 1 17 17 LEU HG H 1 1.465 0.004 . 1 . . . A 17 LEU HG . 25570 1
175 . 1 1 17 17 LEU HD11 H 1 0.625 0.01 . 1 . . . A 17 LEU HD11 . 25570 1
176 . 1 1 17 17 LEU HD12 H 1 0.625 0.01 . 1 . . . A 17 LEU HD12 . 25570 1
177 . 1 1 17 17 LEU HD13 H 1 0.625 0.01 . 1 . . . A 17 LEU HD13 . 25570 1
178 . 1 1 17 17 LEU HD21 H 1 0.598 0.01 . 1 . . . A 17 LEU HD21 . 25570 1
179 . 1 1 17 17 LEU HD22 H 1 0.598 0.01 . 1 . . . A 17 LEU HD22 . 25570 1
180 . 1 1 17 17 LEU HD23 H 1 0.598 0.01 . 1 . . . A 17 LEU HD23 . 25570 1
181 . 1 1 17 17 LEU CA C 13 58.432 0.1 . 1 . . . A 17 LEU CA . 25570 1
182 . 1 1 17 17 LEU CB C 13 41.875 0.1 . 1 . . . A 17 LEU CB . 25570 1
183 . 1 1 17 17 LEU CG C 13 27.162 0.1 . 1 . . . A 17 LEU CG . 25570 1
184 . 1 1 17 17 LEU CD1 C 13 25.278 0.1 . 2 . . . A 17 LEU CD1 . 25570 1
185 . 1 1 17 17 LEU CD2 C 13 24.071 0.1 . 2 . . . A 17 LEU CD2 . 25570 1
186 . 1 1 17 17 LEU N N 15 117.930 0.1 . 1 . . . A 17 LEU N . 25570 1
187 . 1 1 18 18 LEU H H 1 7.891 0.001 . 1 . . . A 18 LEU H . 25570 1
188 . 1 1 18 18 LEU HA H 1 3.805 0.005 . 1 . . . A 18 LEU HA . 25570 1
189 . 1 1 18 18 LEU HB2 H 1 1.572 0.005 . 2 . . . A 18 LEU HB2 . 25570 1
190 . 1 1 18 18 LEU HB3 H 1 1.510 0.007 . 2 . . . A 18 LEU HB3 . 25570 1
191 . 1 1 18 18 LEU HG H 1 1.542 0.01 . 1 . . . A 18 LEU HG . 25570 1
192 . 1 1 18 18 LEU HD11 H 1 0.661 0.01 . 1 . . . A 18 LEU HD11 . 25570 1
193 . 1 1 18 18 LEU HD12 H 1 0.661 0.01 . 1 . . . A 18 LEU HD12 . 25570 1
194 . 1 1 18 18 LEU HD13 H 1 0.661 0.01 . 1 . . . A 18 LEU HD13 . 25570 1
195 . 1 1 18 18 LEU HD21 H 1 0.639 0.01 . 1 . . . A 18 LEU HD21 . 25570 1
196 . 1 1 18 18 LEU HD22 H 1 0.639 0.01 . 1 . . . A 18 LEU HD22 . 25570 1
197 . 1 1 18 18 LEU HD23 H 1 0.639 0.01 . 1 . . . A 18 LEU HD23 . 25570 1
198 . 1 1 18 18 LEU CA C 13 58.535 0.1 . 1 . . . A 18 LEU CA . 25570 1
199 . 1 1 18 18 LEU CB C 13 42.110 0.1 . 1 . . . A 18 LEU CB . 25570 1
200 . 1 1 18 18 LEU CG C 13 27.373 0.1 . 1 . . . A 18 LEU CG . 25570 1
201 . 1 1 18 18 LEU CD1 C 13 24.734 0.1 . 2 . . . A 18 LEU CD1 . 25570 1
202 . 1 1 18 18 LEU CD2 C 13 24.734 0.1 . 2 . . . A 18 LEU CD2 . 25570 1
203 . 1 1 18 18 LEU N N 15 118.161 0.1 . 1 . . . A 18 LEU N . 25570 1
204 . 1 1 19 19 ALA H H 1 8.291 0.002 . 1 . . . A 19 ALA H . 25570 1
205 . 1 1 19 19 ALA HA H 1 3.699 0.004 . 1 . . . A 19 ALA HA . 25570 1
206 . 1 1 19 19 ALA HB1 H 1 1.266 0.003 . 1 . . . A 19 ALA HB1 . 25570 1
207 . 1 1 19 19 ALA HB2 H 1 1.266 0.003 . 1 . . . A 19 ALA HB2 . 25570 1
208 . 1 1 19 19 ALA HB3 H 1 1.266 0.003 . 1 . . . A 19 ALA HB3 . 25570 1
209 . 1 1 19 19 ALA CA C 13 55.820 0.1 . 1 . . . A 19 ALA CA . 25570 1
210 . 1 1 19 19 ALA CB C 13 18.112 0.1 . 1 . . . A 19 ALA CB . 25570 1
211 . 1 1 19 19 ALA N N 15 119.879 0.1 . 1 . . . A 19 ALA N . 25570 1
212 . 1 1 20 20 ALA H H 1 8.374 0.004 . 1 . . . A 20 ALA H . 25570 1
213 . 1 1 20 20 ALA HA H 1 3.815 0.001 . 1 . . . A 20 ALA HA . 25570 1
214 . 1 1 20 20 ALA HB1 H 1 1.280 0.002 . 1 . . . A 20 ALA HB1 . 25570 1
215 . 1 1 20 20 ALA HB2 H 1 1.280 0.002 . 1 . . . A 20 ALA HB2 . 25570 1
216 . 1 1 20 20 ALA HB3 H 1 1.280 0.002 . 1 . . . A 20 ALA HB3 . 25570 1
217 . 1 1 20 20 ALA CA C 13 55.525 0.1 . 1 . . . A 20 ALA CA . 25570 1
218 . 1 1 20 20 ALA CB C 13 18.042 0.1 . 1 . . . A 20 ALA CB . 25570 1
219 . 1 1 20 20 ALA N N 15 118.589 0.1 . 1 . . . A 20 ALA N . 25570 1
220 . 1 1 21 21 GLY H H 1 8.510 0.010 . 1 . . . A 21 GLY H . 25570 1
221 . 1 1 21 21 GLY HA2 H 1 3.550 0.004 . 2 . . . A 21 GLY HA2 . 25570 1
222 . 1 1 21 21 GLY HA3 H 1 3.470 0.01 . 2 . . . A 21 GLY HA3 . 25570 1
223 . 1 1 21 21 GLY CA C 13 48.257 0.012 . 1 . . . A 21 GLY CA . 25570 1
224 . 1 1 21 21 GLY N N 15 105.030 0.1 . 1 . . . A 21 GLY N . 25570 1
225 . 1 1 22 22 VAL H H 1 8.465 0.003 . 1 . . . A 22 VAL H . 25570 1
226 . 1 1 22 22 VAL HA H 1 3.471 0.001 . 1 . . . A 22 VAL HA . 25570 1
227 . 1 1 22 22 VAL HB H 1 2.103 0.003 . 1 . . . A 22 VAL HB . 25570 1
228 . 1 1 22 22 VAL HG11 H 1 0.900 0.001 . 1 . . . A 22 VAL HG11 . 25570 1
229 . 1 1 22 22 VAL HG12 H 1 0.900 0.001 . 1 . . . A 22 VAL HG12 . 25570 1
230 . 1 1 22 22 VAL HG13 H 1 0.900 0.001 . 1 . . . A 22 VAL HG13 . 25570 1
231 . 1 1 22 22 VAL HG21 H 1 0.804 0.007 . 1 . . . A 22 VAL HG21 . 25570 1
232 . 1 1 22 22 VAL HG22 H 1 0.804 0.007 . 1 . . . A 22 VAL HG22 . 25570 1
233 . 1 1 22 22 VAL HG23 H 1 0.804 0.007 . 1 . . . A 22 VAL HG23 . 25570 1
234 . 1 1 22 22 VAL CA C 13 67.400 0.1 . 1 . . . A 22 VAL CA . 25570 1
235 . 1 1 22 22 VAL CB C 13 31.779 0.1 . 1 . . . A 22 VAL CB . 25570 1
236 . 1 1 22 22 VAL CG1 C 13 23.666 0.1 . 2 . . . A 22 VAL CG1 . 25570 1
237 . 1 1 22 22 VAL CG2 C 13 22.426 0.1 . 2 . . . A 22 VAL CG2 . 25570 1
238 . 1 1 22 22 VAL N N 15 121.301 0.1 . 1 . . . A 22 VAL N . 25570 1
239 . 1 1 23 23 GLY H H 1 8.571 0.001 . 1 . . . A 23 GLY H . 25570 1
240 . 1 1 23 23 GLY HA2 H 1 3.474 0.003 . 1 . . . A 23 GLY HA2 . 25570 1
241 . 1 1 23 23 GLY HA3 H 1 3.474 0.003 . 1 . . . A 23 GLY HA3 . 25570 1
242 . 1 1 23 23 GLY CA C 13 48.339 0.1 . 1 . . . A 23 GLY CA . 25570 1
243 . 1 1 23 23 GLY N N 15 107.028 0.1 . 1 . . . A 23 GLY N . 25570 1
244 . 1 1 24 24 ILE H H 1 8.535 0.002 . 1 . . . A 24 ILE H . 25570 1
245 . 1 1 24 24 ILE HA H 1 3.554 0.003 . 1 . . . A 24 ILE HA . 25570 1
246 . 1 1 24 24 ILE HB H 1 1.859 0.004 . 1 . . . A 24 ILE HB . 25570 1
247 . 1 1 24 24 ILE HG12 H 1 1.738 0.01 . 2 . . . A 24 ILE HG12 . 25570 1
248 . 1 1 24 24 ILE HG13 H 1 0.992 0.01 . 2 . . . A 24 ILE HG13 . 25570 1
249 . 1 1 24 24 ILE HG21 H 1 0.742 0.01 . 1 . . . A 24 ILE HG21 . 25570 1
250 . 1 1 24 24 ILE HG22 H 1 0.742 0.01 . 1 . . . A 24 ILE HG22 . 25570 1
251 . 1 1 24 24 ILE HG23 H 1 0.742 0.01 . 1 . . . A 24 ILE HG23 . 25570 1
252 . 1 1 24 24 ILE HD11 H 1 0.704 0.01 . 1 . . . A 24 ILE HD11 . 25570 1
253 . 1 1 24 24 ILE HD12 H 1 0.704 0.01 . 1 . . . A 24 ILE HD12 . 25570 1
254 . 1 1 24 24 ILE HD13 H 1 0.704 0.01 . 1 . . . A 24 ILE HD13 . 25570 1
255 . 1 1 24 24 ILE CA C 13 65.057 0.1 . 1 . . . A 24 ILE CA . 25570 1
256 . 1 1 24 24 ILE CB C 13 38.108 0.1 . 1 . . . A 24 ILE CB . 25570 1
257 . 1 1 24 24 ILE CG1 C 13 30.038 0.1 . 1 . . . A 24 ILE CG1 . 25570 1
258 . 1 1 24 24 ILE CG2 C 13 17.963 0.1 . 1 . . . A 24 ILE CG2 . 25570 1
259 . 1 1 24 24 ILE CD1 C 13 13.768 0.1 . 1 . . . A 24 ILE CD1 . 25570 1
260 . 1 1 24 24 ILE N N 15 119.763 0.1 . 1 . . . A 24 ILE N . 25570 1
261 . 1 1 25 25 TYR H H 1 8.074 0.007 . 1 . . . A 25 TYR H . 25570 1
262 . 1 1 25 25 TYR HA H 1 4.169 0.002 . 1 . . . A 25 TYR HA . 25570 1
263 . 1 1 25 25 TYR HB2 H 1 3.136 0.002 . 2 . . . A 25 TYR HB2 . 25570 1
264 . 1 1 25 25 TYR HB3 H 1 2.969 0.002 . 2 . . . A 25 TYR HB3 . 25570 1
265 . 1 1 25 25 TYR HD1 H 1 6.889 0.01 . 1 . . . A 25 TYR HD1 . 25570 1
266 . 1 1 25 25 TYR HD2 H 1 6.889 0.01 . 1 . . . A 25 TYR HD2 . 25570 1
267 . 1 1 25 25 TYR HE1 H 1 6.654 0.01 . 1 . . . A 25 TYR HE1 . 25570 1
268 . 1 1 25 25 TYR HE2 H 1 6.654 0.01 . 1 . . . A 25 TYR HE2 . 25570 1
269 . 1 1 25 25 TYR CA C 13 61.643 0.1 . 1 . . . A 25 TYR CA . 25570 1
270 . 1 1 25 25 TYR CB C 13 39.438 0.1 . 1 . . . A 25 TYR CB . 25570 1
271 . 1 1 25 25 TYR CD1 C 13 133.222 0.1 . 1 . . . A 25 TYR CD1 . 25570 1
272 . 1 1 25 25 TYR CD2 C 13 133.222 0.1 . 1 . . . A 25 TYR CD2 . 25570 1
273 . 1 1 25 25 TYR CE1 C 13 118.457 0.1 . 1 . . . A 25 TYR CE1 . 25570 1
274 . 1 1 25 25 TYR CE2 C 13 118.457 0.1 . 1 . . . A 25 TYR CE2 . 25570 1
275 . 1 1 26 26 LEU H H 1 8.282 0.004 . 1 . . . A 26 LEU H . 25570 1
276 . 1 1 26 26 LEU HA H 1 3.927 0.01 . 1 . . . A 26 LEU HA . 25570 1
277 . 1 1 26 26 LEU HB2 H 1 1.930 0.001 . 2 . . . A 26 LEU HB2 . 25570 1
278 . 1 1 26 26 LEU HB3 H 1 1.833 0.002 . 2 . . . A 26 LEU HB3 . 25570 1
279 . 1 1 26 26 LEU HD11 H 1 0.814 0.01 . 1 . . . A 26 LEU HD11 . 25570 1
280 . 1 1 26 26 LEU HD12 H 1 0.814 0.01 . 1 . . . A 26 LEU HD12 . 25570 1
281 . 1 1 26 26 LEU HD13 H 1 0.814 0.01 . 1 . . . A 26 LEU HD13 . 25570 1
282 . 1 1 26 26 LEU HD21 H 1 0.809 0.01 . 1 . . . A 26 LEU HD21 . 25570 1
283 . 1 1 26 26 LEU HD22 H 1 0.809 0.01 . 1 . . . A 26 LEU HD22 . 25570 1
284 . 1 1 26 26 LEU HD23 H 1 0.809 0.01 . 1 . . . A 26 LEU HD23 . 25570 1
285 . 1 1 26 26 LEU CA C 13 56.683 0.1 . 1 . . . A 26 LEU CA . 25570 1
286 . 1 1 26 26 LEU CD1 C 13 23.129 0.1 . 2 . . . A 26 LEU CD1 . 25570 1
287 . 1 1 26 26 LEU CD2 C 13 24.072 0.1 . 2 . . . A 26 LEU CD2 . 25570 1
288 . 1 1 26 26 LEU N N 15 117.816 0.1 . 1 . . . A 26 LEU N . 25570 1
289 . 1 1 27 27 LEU H H 1 7.948 0.002 . 1 . . . A 27 LEU H . 25570 1
290 . 1 1 27 27 LEU HA H 1 4.171 0.005 . 1 . . . A 27 LEU HA . 25570 1
291 . 1 1 27 27 LEU HB2 H 1 1.800 0.007 . 2 . . . A 27 LEU HB2 . 25570 1
292 . 1 1 27 27 LEU HB3 H 1 1.500 0.001 . 2 . . . A 27 LEU HB3 . 25570 1
293 . 1 1 27 27 LEU HD11 H 1 0.789 0.01 . 1 . . . A 27 LEU HD11 . 25570 1
294 . 1 1 27 27 LEU HD12 H 1 0.789 0.01 . 1 . . . A 27 LEU HD12 . 25570 1
295 . 1 1 27 27 LEU HD13 H 1 0.789 0.01 . 1 . . . A 27 LEU HD13 . 25570 1
296 . 1 1 27 27 LEU HD21 H 1 0.776 0.01 . 1 . . . A 27 LEU HD21 . 25570 1
297 . 1 1 27 27 LEU HD22 H 1 0.776 0.01 . 1 . . . A 27 LEU HD22 . 25570 1
298 . 1 1 27 27 LEU HD23 H 1 0.776 0.01 . 1 . . . A 27 LEU HD23 . 25570 1
299 . 1 1 27 27 LEU CA C 13 55.602 0.1 . 1 . . . A 27 LEU CA . 25570 1
300 . 1 1 27 27 LEU CB C 13 41.068 0.018 . 1 . . . A 27 LEU CB . 25570 1
301 . 1 1 27 27 LEU CD1 C 13 26.847 0.1 . 2 . . . A 27 LEU CD1 . 25570 1
302 . 1 1 27 27 LEU CD2 C 13 26.069 0.1 . 2 . . . A 27 LEU CD2 . 25570 1
303 . 1 1 27 27 LEU N N 15 115.292 0.1 . 1 . . . A 27 LEU N . 25570 1
304 . 1 1 28 28 PRO HA H 1 4.248 0.01 . 1 . . . A 28 PRO HA . 25570 1
305 . 1 1 28 28 PRO HB2 H 1 2.162 0.001 . 2 . . . A 28 PRO HB2 . 25570 1
306 . 1 1 28 28 PRO HB3 H 1 1.700 0.003 . 2 . . . A 28 PRO HB3 . 25570 1
307 . 1 1 28 28 PRO HG2 H 1 1.924 0.01 . 1 . . . A 28 PRO HG2 . 25570 1
308 . 1 1 28 28 PRO HG3 H 1 1.924 0.01 . 1 . . . A 28 PRO HG3 . 25570 1
309 . 1 1 28 28 PRO HD2 H 1 3.713 0.065 . 2 . . . A 28 PRO HD2 . 25570 1
310 . 1 1 28 28 PRO HD3 H 1 3.538 0.030 . 2 . . . A 28 PRO HD3 . 25570 1
311 . 1 1 28 28 PRO CA C 13 64.901 0.1 . 1 . . . A 28 PRO CA . 25570 1
312 . 1 1 28 28 PRO CB C 13 32.167 0.1 . 1 . . . A 28 PRO CB . 25570 1
313 . 1 1 28 28 PRO CG C 13 27.185 0.1 . 1 . . . A 28 PRO CG . 25570 1
314 . 1 1 28 28 PRO CD C 13 51.242 0.012 . 1 . . . A 28 PRO CD . 25570 1
315 . 1 1 29 29 ASN H H 1 7.909 0.001 . 1 . . . A 29 ASN H . 25570 1
316 . 1 1 29 29 ASN HA H 1 4.681 0.006 . 1 . . . A 29 ASN HA . 25570 1
317 . 1 1 29 29 ASN HB2 H 1 2.741 0.001 . 2 . . . A 29 ASN HB2 . 25570 1
318 . 1 1 29 29 ASN HB3 H 1 2.651 0.001 . 2 . . . A 29 ASN HB3 . 25570 1
319 . 1 1 29 29 ASN HD21 H 1 7.411 0.01 . 2 . . . A 29 ASN HD21 . 25570 1
320 . 1 1 29 29 ASN HD22 H 1 6.801 0.01 . 2 . . . A 29 ASN HD22 . 25570 1
321 . 1 1 29 29 ASN CA C 13 53.582 0.1 . 1 . . . A 29 ASN CA . 25570 1
322 . 1 1 29 29 ASN CB C 13 39.534 0.019 . 1 . . . A 29 ASN CB . 25570 1
323 . 1 1 29 29 ASN N N 15 114.088 0.1 . 1 . . . A 29 ASN N . 25570 1
324 . 1 1 29 29 ASN ND2 N 15 114.499 0.004 . 1 . . . A 29 ASN ND2 . 25570 1
325 . 1 1 30 30 ARG H H 1 7.472 0.002 . 1 . . . A 30 ARG H . 25570 1
326 . 1 1 30 30 ARG HA H 1 4.365 0.01 . 1 . . . A 30 ARG HA . 25570 1
327 . 1 1 30 30 ARG HB2 H 1 1.822 0.01 . 2 . . . A 30 ARG HB2 . 25570 1
328 . 1 1 30 30 ARG HB3 H 1 1.675 0.01 . 2 . . . A 30 ARG HB3 . 25570 1
329 . 1 1 30 30 ARG HG2 H 1 1.532 0.01 . 1 . . . A 30 ARG HG2 . 25570 1
330 . 1 1 30 30 ARG HG3 H 1 1.532 0.01 . 1 . . . A 30 ARG HG3 . 25570 1
331 . 1 1 30 30 ARG HD2 H 1 3.099 0.01 . 2 . . . A 30 ARG HD2 . 25570 1
332 . 1 1 30 30 ARG HD3 H 1 2.990 0.01 . 2 . . . A 30 ARG HD3 . 25570 1
333 . 1 1 30 30 ARG HE H 1 6.984 0.01 . 1 . . . A 30 ARG HE . 25570 1
334 . 1 1 30 30 ARG CA C 13 54.893 0.1 . 1 . . . A 30 ARG CA . 25570 1
335 . 1 1 30 30 ARG CB C 13 31.204 0.1 . 1 . . . A 30 ARG CB . 25570 1
336 . 1 1 30 30 ARG CG C 13 27.538 0.1 . 1 . . . A 30 ARG CG . 25570 1
337 . 1 1 30 30 ARG CD C 13 43.671 0.018 . 1 . . . A 30 ARG CD . 25570 1
338 . 1 1 30 30 ARG N N 15 119.042 0.1 . 1 . . . A 30 ARG N . 25570 1
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