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 15708
_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 0.003
_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 'deviation from averaging procedure'
_Assigned_chem_shift_list.Details 'chemical shifts are referenced to the water position at 4.63 ppm at 310K'
_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
3 '2D 1H-1H NOESY' . . . 15708 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
1 $XEASY_CARA . . 15708 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 MET HA H 1 4.191 0.002 . 1 . . . . 1 MET HA . 15708 1
2 . 1 1 1 1 MET HB2 H 1 2.187 0.006 . 1 . . . . 1 MET HB2 . 15708 1
3 . 1 1 1 1 MET HB3 H 1 2.187 0.006 . 1 . . . . 1 MET HB3 . 15708 1
4 . 1 1 1 1 MET HG2 H 1 2.547 0.002 . 1 . . . . 1 MET HG2 . 15708 1
5 . 1 1 1 1 MET HG3 H 1 2.547 0.002 . 1 . . . . 1 MET HG3 . 15708 1
6 . 1 1 2 2 ASN H H 1 8.659 0.002 . 1 . . . . 2 ASN H . 15708 1
7 . 1 1 2 2 ASN HA H 1 4.976 0.001 . 1 . . . . 2 ASN HA . 15708 1
8 . 1 1 2 2 ASN HB2 H 1 2.979 0.004 . 2 . . . . 2 ASN HB2 . 15708 1
9 . 1 1 2 2 ASN HB3 H 1 2.790 0.007 . 2 . . . . 2 ASN HB3 . 15708 1
10 . 1 1 2 2 ASN HD21 H 1 7.571 0.003 . 2 . . . . 2 ASN HD21 . 15708 1
11 . 1 1 2 2 ASN HD22 H 1 6.860 0.002 . 2 . . . . 2 ASN HD22 . 15708 1
12 . 1 1 3 3 THR H H 1 8.289 0.006 . 1 . . . . 3 THR H . 15708 1
13 . 1 1 3 3 THR HA H 1 4.263 0.005 . 1 . . . . 3 THR HA . 15708 1
14 . 1 1 3 3 THR HB H 1 4.039 0.005 . 1 . . . . 3 THR HB . 15708 1
15 . 1 1 3 3 THR HG21 H 1 1.218 0.004 . 1 . . . . 3 THR HG1 . 15708 1
16 . 1 1 3 3 THR HG22 H 1 1.218 0.004 . 1 . . . . 3 THR HG1 . 15708 1
17 . 1 1 3 3 THR HG23 H 1 1.218 0.004 . 1 . . . . 3 THR HG1 . 15708 1
18 . 1 1 4 4 SER H H 1 8.287 0.003 . 1 . . . . 4 SER H . 15708 1
19 . 1 1 4 4 SER HA H 1 4.226 0.005 . 1 . . . . 4 SER HA . 15708 1
20 . 1 1 4 4 SER HB2 H 1 3.924 0.003 . 1 . . . . 4 SER HB2 . 15708 1
21 . 1 1 4 4 SER HB3 H 1 3.924 0.003 . 1 . . . . 4 SER HB3 . 15708 1
22 . 1 1 5 5 HIS H H 1 8.065 0.005 . 1 . . . . 5 HIS H . 15708 1
23 . 1 1 5 5 HIS HA H 1 4.565 0.003 . 1 . . . . 5 HIS HA . 15708 1
24 . 1 1 5 5 HIS HB2 H 1 3.302 0.005 . 1 . . . . 5 HIS HB2 . 15708 1
25 . 1 1 5 5 HIS HB3 H 1 3.302 0.005 . 1 . . . . 5 HIS HB3 . 15708 1
26 . 1 1 5 5 HIS HD2 H 1 7.341 0.001 . 1 . . . . 5 HIS HD2 . 15708 1
27 . 1 1 5 5 HIS HE1 H 1 8.646 0.003 . 1 . . . . 5 HIS HE1 . 15708 1
28 . 1 1 6 6 LEU H H 1 7.843 0.003 . 1 . . . . 6 LEU H . 15708 1
29 . 1 1 6 6 LEU HA H 1 4.001 0.004 . 1 . . . . 6 LEU HA . 15708 1
30 . 1 1 6 6 LEU HB2 H 1 1.695 0.008 . 2 . . . . 6 LEU HB2 . 15708 1
31 . 1 1 6 6 LEU HB3 H 1 1.786 0.008 . 2 . . . . 6 LEU HB3 . 15708 1
32 . 1 1 6 6 LEU HD11 H 1 0.869 0.005 . 2 . . . . 6 LEU HD11 . 15708 1
33 . 1 1 6 6 LEU HD12 H 1 0.869 0.005 . 2 . . . . 6 LEU HD12 . 15708 1
34 . 1 1 6 6 LEU HD13 H 1 0.869 0.005 . 2 . . . . 6 LEU HD13 . 15708 1
35 . 1 1 6 6 LEU HD21 H 1 0.937 0.003 . 2 . . . . 6 LEU HD21 . 15708 1
36 . 1 1 6 6 LEU HD22 H 1 0.937 0.003 . 2 . . . . 6 LEU HD22 . 15708 1
37 . 1 1 6 6 LEU HD23 H 1 0.937 0.003 . 2 . . . . 6 LEU HD23 . 15708 1
38 . 1 1 6 6 LEU HG H 1 1.574 0.010 . 1 . . . . 6 LEU HG . 15708 1
39 . 1 1 7 7 LEU H H 1 8.029 0.004 . 1 . . . . 7 LEU H . 15708 1
40 . 1 1 7 7 LEU HA H 1 3.956 0.004 . 1 . . . . 7 LEU HA . 15708 1
41 . 1 1 7 7 LEU HB2 H 1 1.572 0.008 . 2 . . . . 7 LEU HB2 . 15708 1
42 . 1 1 7 7 LEU HB3 H 1 1.779 0.006 . 2 . . . . 7 LEU HB3 . 15708 1
43 . 1 1 7 7 LEU HD11 H 1 0.867 0.003 . 2 . . . . 7 LEU HD11 . 15708 1
44 . 1 1 7 7 LEU HD12 H 1 0.867 0.003 . 2 . . . . 7 LEU HD12 . 15708 1
45 . 1 1 7 7 LEU HD13 H 1 0.867 0.003 . 2 . . . . 7 LEU HD13 . 15708 1
46 . 1 1 7 7 LEU HD21 H 1 0.933 0.006 . 2 . . . . 7 LEU HD21 . 15708 1
47 . 1 1 7 7 LEU HD22 H 1 0.933 0.006 . 2 . . . . 7 LEU HD22 . 15708 1
48 . 1 1 7 7 LEU HD23 H 1 0.933 0.006 . 2 . . . . 7 LEU HD23 . 15708 1
49 . 1 1 7 7 LEU HG H 1 1.579 0.009 . 1 . . . . 7 LEU HG . 15708 1
50 . 1 1 8 8 ALA H H 1 7.523 0.004 . 1 . . . . 8 ALA H . 15708 1
51 . 1 1 8 8 ALA HA H 1 4.047 0.006 . 1 . . . . 8 ALA HA . 15708 1
52 . 1 1 8 8 ALA HB1 H 1 1.467 0.005 . 1 . . . . 8 ALA HB1 . 15708 1
53 . 1 1 8 8 ALA HB2 H 1 1.467 0.005 . 1 . . . . 8 ALA HB2 . 15708 1
54 . 1 1 8 8 ALA HB3 H 1 1.467 0.005 . 1 . . . . 8 ALA HB3 . 15708 1
55 . 1 1 9 9 LEU H H 1 7.473 0.003 . 1 . . . . 9 LEU H . 15708 1
56 . 1 1 9 9 LEU HA H 1 4.142 0.005 . 1 . . . . 9 LEU HA . 15708 1
57 . 1 1 9 9 LEU HB2 H 1 1.705 0.003 . 2 . . . . 9 LEU HB2 . 15708 1
58 . 1 1 9 9 LEU HB3 H 1 1.872 0.003 . 2 . . . . 9 LEU HB3 . 15708 1
59 . 1 1 9 9 LEU HD11 H 1 0.861 0.005 . 2 . . . . 9 LEU HD11 . 15708 1
60 . 1 1 9 9 LEU HD12 H 1 0.861 0.005 . 2 . . . . 9 LEU HD12 . 15708 1
61 . 1 1 9 9 LEU HD13 H 1 0.861 0.005 . 2 . . . . 9 LEU HD13 . 15708 1
62 . 1 1 9 9 LEU HD21 H 1 0.937 0.006 . 2 . . . . 9 LEU HD21 . 15708 1
63 . 1 1 9 9 LEU HD22 H 1 0.937 0.006 . 2 . . . . 9 LEU HD22 . 15708 1
64 . 1 1 9 9 LEU HD23 H 1 0.937 0.006 . 2 . . . . 9 LEU HD23 . 15708 1
65 . 1 1 9 9 LEU HG H 1 1.540 0.009 . 1 . . . . 9 LEU HG . 15708 1
66 . 1 1 10 10 LEU H H 1 7.597 0.004 . 1 . . . . 10 LEU H . 15708 1
67 . 1 1 10 10 LEU HA H 1 4.218 0.003 . 1 . . . . 10 LEU HA . 15708 1
68 . 1 1 10 10 LEU HB2 H 1 1.753 0.008 . 2 . . . . 10 LEU HB2 . 15708 1
69 . 1 1 10 10 LEU HB3 H 1 1.803 0.008 . 2 . . . . 10 LEU HB3 . 15708 1
70 . 1 1 10 10 LEU HD11 H 1 0.819 0.001 . 2 . . . . 10 LEU HD11 . 15708 1
71 . 1 1 10 10 LEU HD12 H 1 0.819 0.001 . 2 . . . . 10 LEU HD12 . 15708 1
72 . 1 1 10 10 LEU HD13 H 1 0.819 0.001 . 2 . . . . 10 LEU HD13 . 15708 1
73 . 1 1 10 10 LEU HD21 H 1 0.863 0.002 . 2 . . . . 10 LEU HD21 . 15708 1
74 . 1 1 10 10 LEU HD22 H 1 0.863 0.002 . 2 . . . . 10 LEU HD22 . 15708 1
75 . 1 1 10 10 LEU HD23 H 1 0.863 0.002 . 2 . . . . 10 LEU HD23 . 15708 1
76 . 1 1 10 10 LEU HG H 1 1.553 0.006 . 1 . . . . 10 LEU HG . 15708 1
77 . 1 1 11 11 LEU H H 1 7.655 0.003 . 1 . . . . 11 LEU H . 15708 1
78 . 1 1 11 11 LEU HA H 1 4.366 0.002 . 1 . . . . 11 LEU HA . 15708 1
79 . 1 1 11 11 LEU HB2 H 1 1.774 0.009 . 1 . . . . 11 LEU HB2 . 15708 1
80 . 1 1 11 11 LEU HB3 H 1 1.774 0.009 . 1 . . . . 11 LEU HB3 . 15708 1
81 . 1 1 11 11 LEU HD11 H 1 0.901 0.004 . 2 . . . . 11 LEU HD11 . 15708 1
82 . 1 1 11 11 LEU HD12 H 1 0.901 0.004 . 2 . . . . 11 LEU HD12 . 15708 1
83 . 1 1 11 11 LEU HD13 H 1 0.901 0.004 . 2 . . . . 11 LEU HD13 . 15708 1
84 . 1 1 11 11 LEU HD21 H 1 0.937 0.005 . 2 . . . . 11 LEU HD21 . 15708 1
85 . 1 1 11 11 LEU HD22 H 1 0.937 0.005 . 2 . . . . 11 LEU HD22 . 15708 1
86 . 1 1 11 11 LEU HD23 H 1 0.937 0.005 . 2 . . . . 11 LEU HD23 . 15708 1
87 . 1 1 11 11 LEU HG H 1 1.560 0.007 . 1 . . . . 11 LEU HG . 15708 1
88 . 1 1 12 12 PRO HB2 H 1 1.705 0.003 . 1 . . . . 12 PRO HB2 . 15708 1
89 . 1 1 12 12 PRO HB3 H 1 1.705 0.003 . 1 . . . . 12 PRO HB3 . 15708 1
90 . 1 1 12 12 PRO HD2 H 1 3.546 0.004 . 2 . . . . 12 PRO HD2 . 15708 1
91 . 1 1 12 12 PRO HD3 H 1 3.768 0.006 . 2 . . . . 12 PRO HD3 . 15708 1
92 . 1 1 13 13 LYS H H 1 7.902 0.003 . 1 . . . . 13 LYS H . 15708 1
93 . 1 1 13 13 LYS HA H 1 4.444 0.001 . 1 . . . . 13 LYS HA . 15708 1
94 . 1 1 13 13 LYS HB2 H 1 1.806 0.004 . 1 . . . . 13 LYS HB2 . 15708 1
95 . 1 1 13 13 LYS HB3 H 1 1.806 0.004 . 1 . . . . 13 LYS HB3 . 15708 1
96 . 1 1 13 13 LYS HG2 H 1 1.462 0.005 . 1 . . . . 13 LYS HG2 . 15708 1
97 . 1 1 13 13 LYS HG3 H 1 1.462 0.005 . 1 . . . . 13 LYS HG3 . 15708 1
98 . 1 1 13 13 LYS HZ1 H 1 6.960 0.003 . 1 . . . . 13 LYS HZ3 . 15708 1
99 . 1 1 13 13 LYS HZ2 H 1 6.960 0.003 . 1 . . . . 13 LYS HZ3 . 15708 1
100 . 1 1 13 13 LYS HZ3 H 1 6.960 0.003 . 1 . . . . 13 LYS HZ3 . 15708 1
101 . 1 1 14 14 SER H H 1 7.950 0.001 . 1 . . . . 14 SER H . 15708 1
102 . 1 1 14 14 SER HA H 1 3.877 0.003 . 1 . . . . 14 SER HA . 15708 1
103 . 1 1 14 14 SER HB2 H 1 3.800 0.003 . 1 . . . . 14 SER HB2 . 15708 1
104 . 1 1 14 14 SER HB3 H 1 3.800 0.003 . 1 . . . . 14 SER HB3 . 15708 1
105 . 1 1 15 15 PRO HA H 1 4.455 0.001 . 1 . . . . 15 PRO HA . 15708 1
106 . 1 1 15 15 PRO HD2 H 1 3.746 0.005 . 2 . . . . 15 PRO HD2 . 15708 1
107 . 1 1 15 15 PRO HD3 H 1 3.798 0.004 . 2 . . . . 15 PRO HD3 . 15708 1
108 . 1 1 16 16 GLN H H 1 8.284 0.002 . 1 . . . . 16 GLN H . 15708 1
109 . 1 1 16 16 GLN HA H 1 4.308 0.002 . 1 . . . . 16 GLN HA . 15708 1
110 . 1 1 16 16 GLN HB2 H 1 1.972 0.002 . 2 . . . . 16 GLN HB2 . 15708 1
111 . 1 1 16 16 GLN HB3 H 1 2.150 0.002 . 2 . . . . 16 GLN HB3 . 15708 1
112 . 1 1 16 16 GLN HE21 H 1 7.426 0.003 . 2 . . . . 16 GLN HE21 . 15708 1
113 . 1 1 16 16 GLN HE22 H 1 6.727 0.003 . 2 . . . . 16 GLN HE22 . 15708 1
114 . 1 1 16 16 GLN HG2 H 1 2.305 0.001 . 2 . . . . 16 GLN HG2 . 15708 1
115 . 1 1 16 16 GLN HG3 H 1 2.371 0.001 . 2 . . . . 16 GLN HG3 . 15708 1
116 . 1 1 17 17 GLY H H 1 8.182 0.002 . 1 . . . . 17 GLY H . 15708 1
117 . 1 1 17 17 GLY HA2 H 1 3.931 0.001 . 1 . . . . 17 GLY HA2 . 15708 1
118 . 1 1 17 17 GLY HA3 H 1 3.931 0.001 . 1 . . . . 17 GLY HA3 . 15708 1
119 . 1 1 18 18 GLU H H 1 8.141 0.004 . 1 . . . . 18 GLU H . 15708 1
120 . 1 1 18 18 GLU HA H 1 4.302 0.006 . 1 . . . . 18 GLU HA . 15708 1
121 . 1 1 18 18 GLU HB2 H 1 1.943 0.009 . 2 . . . . 18 GLU HB2 . 15708 1
122 . 1 1 18 18 GLU HB3 H 1 2.077 0.001 . 2 . . . . 18 GLU HB3 . 15708 1
123 . 1 1 18 18 GLU HG2 H 1 2.329 0.007 . 1 . . . . 18 GLU HG2 . 15708 1
124 . 1 1 18 18 GLU HG3 H 1 2.329 0.007 . 1 . . . . 18 GLU HG3 . 15708 1
125 . 1 1 19 19 ASN H H 1 8.302 0.006 . 1 . . . . 19 ASN H . 15708 1
126 . 1 1 19 19 ASN HA H 1 4.706 0.003 . 1 . . . . 19 ASN HA . 15708 1
127 . 1 1 19 19 ASN HB2 H 1 2.711 0.004 . 2 . . . . 19 ASN HB2 . 15708 1
128 . 1 1 19 19 ASN HB3 H 1 2.836 0.001 . 2 . . . . 19 ASN HB3 . 15708 1
129 . 1 1 19 19 ASN HD21 H 1 7.495 0.003 . 2 . . . . 19 ASN HD21 . 15708 1
130 . 1 1 19 19 ASN HD22 H 1 6.838 0.002 . 2 . . . . 19 ASN HD22 . 15708 1
131 . 1 1 20 20 ARG H H 1 7.989 0.003 . 1 . . . . 20 ARG H . 15708 1
132 . 1 1 20 20 ARG HA H 1 4.353 0.001 . 1 . . . . 20 ARG HA . 15708 1
133 . 1 1 20 20 ARG HB2 H 1 1.778 0.007 . 2 . . . . 20 ARG HB2 . 15708 1
134 . 1 1 20 20 ARG HB3 H 1 1.862 0.007 . 2 . . . . 20 ARG HB3 . 15708 1
135 . 1 1 20 20 ARG HD2 H 1 3.193 0.004 . 1 . . . . 20 ARG HD2 . 15708 1
136 . 1 1 20 20 ARG HD3 H 1 3.193 0.004 . 1 . . . . 20 ARG HD3 . 15708 1
137 . 1 1 20 20 ARG HE H 1 7.186 0.003 . 1 . . . . 20 ARG HE . 15708 1
138 . 1 1 20 20 ARG HG2 H 1 1.646 0.008 . 1 . . . . 20 ARG HG2 . 15708 1
139 . 1 1 20 20 ARG HG3 H 1 1.646 0.008 . 1 . . . . 20 ARG HG3 . 15708 1
140 . 1 1 21 21 SER H H 1 8.220 0.003 . 1 . . . . 21 SER H . 15708 1
141 . 1 1 21 21 SER HA H 1 4.434 0.001 . 1 . . . . 21 SER HA . 15708 1
142 . 1 1 21 21 SER HB2 H 1 3.828 0.005 . 1 . . . . 21 SER HB2 . 15708 1
143 . 1 1 21 21 SER HB3 H 1 3.828 0.005 . 1 . . . . 21 SER HB3 . 15708 1
144 . 1 1 22 22 LYS H H 1 7.998 0.004 . 1 . . . . 22 LYS H . 15708 1
145 . 1 1 22 22 LYS HA H 1 4.348 0.002 . 1 . . . . 22 LYS HA . 15708 1
146 . 1 1 22 22 LYS HB2 H 1 1.747 0.004 . 1 . . . . 22 LYS HB2 . 15708 1
147 . 1 1 22 22 LYS HB3 H 1 1.747 0.004 . 1 . . . . 22 LYS HB3 . 15708 1
148 . 1 1 22 22 LYS HG2 H 1 1.456 0.012 . 1 . . . . 22 LYS HG2 . 15708 1
149 . 1 1 22 22 LYS HG3 H 1 1.456 0.012 . 1 . . . . 22 LYS HG3 . 15708 1
150 . 1 1 23 23 PRO HA H 1 4.441 0.008 . 1 . . . . 23 PRO HA . 15708 1
151 . 1 1 23 23 PRO HB2 H 1 1.984 0.006 . 2 . . . . 23 PRO HB2 . 15708 1
152 . 1 1 23 23 PRO HB3 H 1 2.306 0.005 . 2 . . . . 23 PRO HB3 . 15708 1
153 . 1 1 23 23 PRO HD2 H 1 3.677 0.004 . 2 . . . . 23 PRO HD2 . 15708 1
154 . 1 1 23 23 PRO HD3 H 1 3.772 0.002 . 2 . . . . 23 PRO HD3 . 15708 1
155 . 1 1 23 23 PRO HG2 H 1 1.910 0.003 . 1 . . . . 23 PRO HG2 . 15708 1
156 . 1 1 23 23 PRO HG3 H 1 1.910 0.003 . 1 . . . . 23 PRO HG3 . 15708 1
157 . 1 1 24 24 LEU H H 1 8.034 0.003 . 1 . . . . 24 LEU H . 15708 1
158 . 1 1 24 24 LEU HA H 1 4.337 0.001 . 1 . . . . 24 LEU HA . 15708 1
159 . 1 1 24 24 LEU HB2 H 1 1.676 0.002 . 2 . . . . 24 LEU HB2 . 15708 1
160 . 1 1 24 24 LEU HB3 H 1 1.719 0.001 . 2 . . . . 24 LEU HB3 . 15708 1
161 . 1 1 24 24 LEU HD11 H 1 0.884 0.003 . 1 . . . . 24 LEU QD1 . 15708 1
162 . 1 1 24 24 LEU HD12 H 1 0.884 0.003 . 1 . . . . 24 LEU QD1 . 15708 1
163 . 1 1 24 24 LEU HD13 H 1 0.884 0.003 . 1 . . . . 24 LEU QD1 . 15708 1
164 . 1 1 24 24 LEU HD21 H 1 0.884 0.003 . 1 . . . . 24 LEU QD2 . 15708 1
165 . 1 1 24 24 LEU HD22 H 1 0.884 0.003 . 1 . . . . 24 LEU QD2 . 15708 1
166 . 1 1 24 24 LEU HD23 H 1 0.884 0.003 . 1 . . . . 24 LEU QD2 . 15708 1
167 . 1 1 25 25 GLY H H 1 7.974 0.009 . 1 . . . . 25 GLY H . 15708 1
168 . 1 1 25 25 GLY HA2 H 1 3.915 0.001 . 2 . . . . 25 GLY HA2 . 15708 1
169 . 1 1 25 25 GLY HA3 H 1 4.003 0.003 . 2 . . . . 25 GLY HA3 . 15708 1
170 . 1 1 26 26 THR H H 1 7.820 0.002 . 1 . . . . 26 THR H . 15708 1
171 . 1 1 26 26 THR HA H 1 4.611 0.003 . 1 . . . . 26 THR HA . 15708 1
172 . 1 1 26 26 THR HB H 1 4.170 0.010 . 1 . . . . 26 THR HB . 15708 1
173 . 1 1 26 26 THR HG21 H 1 1.211 0.004 . 1 . . . . 26 THR HG1 . 15708 1
174 . 1 1 26 26 THR HG22 H 1 1.211 0.004 . 1 . . . . 26 THR HG1 . 15708 1
175 . 1 1 26 26 THR HG23 H 1 1.211 0.004 . 1 . . . . 26 THR HG1 . 15708 1
176 . 1 1 27 27 PRO HA H 1 4.390 0.002 . 1 . . . . 27 PRO HA . 15708 1
177 . 1 1 27 27 PRO HB2 H 1 2.174 0.007 . 1 . . . . 27 PRO HB2 . 15708 1
178 . 1 1 27 27 PRO HB3 H 1 2.174 0.007 . 1 . . . . 27 PRO HB3 . 15708 1
179 . 1 1 27 27 PRO HG2 H 1 2.167 0.003 . 1 . . . . 27 PRO HG2 . 15708 1
180 . 1 1 27 27 PRO HG3 H 1 2.167 0.003 . 1 . . . . 27 PRO HG3 . 15708 1
181 . 1 1 28 28 TYR H H 1 7.614 0.005 . 1 . . . . 28 TYR H . 15708 1
182 . 1 1 28 28 TYR HA H 1 4.338 0.002 . 1 . . . . 28 TYR HA . 15708 1
183 . 1 1 28 28 TYR HB2 H 1 2.642 0.007 . 2 . . . . 28 TYR HB2 . 15708 1
184 . 1 1 28 28 TYR HB3 H 1 2.715 0.005 . 2 . . . . 28 TYR HB3 . 15708 1
185 . 1 1 28 28 TYR HD1 H 1 6.881 0.003 . 1 . . . . 28 TYR HD1 . 15708 1
186 . 1 1 28 28 TYR HD2 H 1 6.881 0.003 . 1 . . . . 28 TYR HD2 . 15708 1
187 . 1 1 28 28 TYR HE1 H 1 6.709 0.004 . 1 . . . . 28 TYR HE1 . 15708 1
188 . 1 1 28 28 TYR HE2 H 1 6.709 0.004 . 1 . . . . 28 TYR HE2 . 15708 1
189 . 1 1 29 29 ASN H H 1 7.930 0.006 . 1 . . . . 29 ASN H . 15708 1
190 . 1 1 29 29 ASN HA H 1 4.678 0.001 . 1 . . . . 29 ASN HA . 15708 1
191 . 1 1 29 29 ASN HB2 H 1 2.630 0.008 . 2 . . . . 29 ASN HB2 . 15708 1
192 . 1 1 29 29 ASN HB3 H 1 2.800 0.004 . 2 . . . . 29 ASN HB3 . 15708 1
193 . 1 1 29 29 ASN HD21 H 1 7.429 0.003 . 2 . . . . 29 ASN HD21 . 15708 1
194 . 1 1 29 29 ASN HD22 H 1 6.760 0.002 . 2 . . . . 29 ASN HD22 . 15708 1
195 . 1 1 30 30 PHE H H 1 8.079 0.005 . 1 . . . . 30 PHE H . 15708 1
196 . 1 1 30 30 PHE HA H 1 4.426 0.001 . 1 . . . . 30 PHE HA . 15708 1
197 . 1 1 30 30 PHE HB2 H 1 3.067 0.006 . 2 . . . . 30 PHE HB2 . 15708 1
198 . 1 1 30 30 PHE HB3 H 1 3.187 0.004 . 2 . . . . 30 PHE HB3 . 15708 1
199 . 1 1 30 30 PHE HD1 H 1 7.281 0.003 . 1 . . . . 30 PHE HD1 . 15708 1
200 . 1 1 30 30 PHE HD2 H 1 7.281 0.003 . 1 . . . . 30 PHE HD2 . 15708 1
201 . 1 1 30 30 PHE HE1 H 1 7.217 0.004 . 1 . . . . 30 PHE HE1 . 15708 1
202 . 1 1 30 30 PHE HE2 H 1 7.217 0.004 . 1 . . . . 30 PHE HE2 . 15708 1
203 . 1 1 30 30 PHE HZ H 1 7.071 0.006 . 1 . . . . 30 PHE HZ . 15708 1
204 . 1 1 31 31 SER H H 1 8.186 0.006 . 1 . . . . 31 SER H . 15708 1
205 . 1 1 31 31 SER HA H 1 4.309 0.003 . 1 . . . . 31 SER HA . 15708 1
206 . 1 1 31 31 SER HB2 H 1 3.878 0.008 . 1 . . . . 31 SER HB2 . 15708 1
207 . 1 1 31 31 SER HB3 H 1 3.878 0.008 . 1 . . . . 31 SER HB3 . 15708 1
208 . 1 1 32 32 GLU H H 1 7.848 0.007 . 1 . . . . 32 GLU H . 15708 1
209 . 1 1 32 32 GLU HA H 1 4.232 0.001 . 1 . . . . 32 GLU HA . 15708 1
210 . 1 1 32 32 GLU HB2 H 1 1.913 0.009 . 2 . . . . 32 GLU HB2 . 15708 1
211 . 1 1 32 32 GLU HB3 H 1 2.028 0.003 . 2 . . . . 32 GLU HB3 . 15708 1
212 . 1 1 32 32 GLU HG2 H 1 2.295 0.006 . 1 . . . . 32 GLU HG2 . 15708 1
213 . 1 1 32 32 GLU HG3 H 1 2.295 0.006 . 1 . . . . 32 GLU HG3 . 15708 1
214 . 1 1 33 33 HIS H H 1 8.124 0.004 . 1 . . . . 33 HIS H . 15708 1
215 . 1 1 33 33 HIS HA H 1 4.626 0.007 . 1 . . . . 33 HIS HA . 15708 1
216 . 1 1 33 33 HIS HB2 H 1 3.197 0.006 . 2 . . . . 33 HIS HB2 . 15708 1
217 . 1 1 33 33 HIS HB3 H 1 3.341 0.003 . 2 . . . . 33 HIS HB3 . 15708 1
218 . 1 1 33 33 HIS HD2 H 1 7.316 0.003 . 1 . . . . 33 HIS HD2 . 15708 1
219 . 1 1 34 34 CYS H H 1 8.158 0.002 . 1 . . . . 34 CYS H . 15708 1
220 . 1 1 34 34 CYS HA H 1 4.660 0.001 . 1 . . . . 34 CYS HA . 15708 1
221 . 1 1 34 34 CYS HB2 H 1 3.218 0.004 . 2 . . . . 34 CYS HB2 . 15708 1
222 . 1 1 34 34 CYS HB3 H 1 2.981 0.006 . 2 . . . . 34 CYS HB3 . 15708 1
223 . 1 1 35 35 GLN H H 1 8.245 0.007 . 1 . . . . 35 GLN H . 15708 1
224 . 1 1 35 35 GLN HA H 1 4.334 0.001 . 1 . . . . 35 GLN HA . 15708 1
225 . 1 1 35 35 GLN HB2 H 1 1.984 0.007 . 2 . . . . 35 GLN HB2 . 15708 1
226 . 1 1 35 35 GLN HB3 H 1 2.110 0.005 . 2 . . . . 35 GLN HB3 . 15708 1
227 . 1 1 35 35 GLN HE21 H 1 7.417 0.003 . 2 . . . . 35 GLN HE21 . 15708 1
228 . 1 1 35 35 GLN HE22 H 1 6.755 0.003 . 2 . . . . 35 GLN HE22 . 15708 1
229 . 1 1 35 35 GLN HG2 H 1 2.345 0.003 . 1 . . . . 35 GLN HG2 . 15708 1
230 . 1 1 35 35 GLN HG3 H 1 2.345 0.003 . 1 . . . . 35 GLN HG3 . 15708 1
231 . 1 1 36 36 ASP H H 1 8.314 0.002 . 1 . . . . 36 ASP H . 15708 1
232 . 1 1 36 36 ASP HA H 1 4.650 0.003 . 1 . . . . 36 ASP HA . 15708 1
233 . 1 1 36 36 ASP HB2 H 1 2.696 0.003 . 2 . . . . 36 ASP HB2 . 15708 1
234 . 1 1 36 36 ASP HB3 H 1 2.756 0.004 . 2 . . . . 36 ASP HB3 . 15708 1
235 . 1 1 37 37 SER H H 1 8.182 0.006 . 1 . . . . 37 SER H . 15708 1
236 . 1 1 37 37 SER HA H 1 4.454 0.002 . 1 . . . . 37 SER HA . 15708 1
237 . 1 1 37 37 SER HB2 H 1 3.848 0.004 . 1 . . . . 37 SER HB2 . 15708 1
238 . 1 1 37 37 SER HB3 H 1 3.848 0.004 . 1 . . . . 37 SER HB3 . 15708 1
239 . 1 1 38 38 VAL H H 1 7.990 0.007 . 1 . . . . 38 VAL H . 15708 1
240 . 1 1 38 38 VAL HA H 1 4.143 0.003 . 1 . . . . 38 VAL HA . 15708 1
241 . 1 1 38 38 VAL HB H 1 2.086 0.004 . 1 . . . . 38 VAL HB . 15708 1
242 . 1 1 38 38 VAL HG11 H 1 0.847 0.003 . 2 . . . . 38 VAL HG11 . 15708 1
243 . 1 1 38 38 VAL HG12 H 1 0.847 0.003 . 2 . . . . 38 VAL HG12 . 15708 1
244 . 1 1 38 38 VAL HG13 H 1 0.847 0.003 . 2 . . . . 38 VAL HG13 . 15708 1
245 . 1 1 38 38 VAL HG21 H 1 0.889 0.003 . 2 . . . . 38 VAL HG21 . 15708 1
246 . 1 1 38 38 VAL HG22 H 1 0.889 0.003 . 2 . . . . 38 VAL HG22 . 15708 1
247 . 1 1 38 38 VAL HG23 H 1 0.889 0.003 . 2 . . . . 38 VAL HG23 . 15708 1
248 . 1 1 39 39 ASP H H 1 8.295 0.004 . 1 . . . . 39 ASP H . 15708 1
249 . 1 1 39 39 ASP HA H 1 4.620 0.003 . 1 . . . . 39 ASP HA . 15708 1
250 . 1 1 39 39 ASP HB2 H 1 2.595 0.007 . 1 . . . . 39 ASP HB2 . 15708 1
251 . 1 1 39 39 ASP HB3 H 1 2.595 0.007 . 1 . . . . 39 ASP HB3 . 15708 1
252 . 1 1 40 40 VAL H H 1 7.947 0.006 . 1 . . . . 40 VAL H . 15708 1
253 . 1 1 40 40 VAL HA H 1 4.116 0.005 . 1 . . . . 40 VAL HA . 15708 1
254 . 1 1 40 40 VAL HB H 1 2.092 0.003 . 1 . . . . 40 VAL HB . 15708 1
255 . 1 1 40 40 VAL HG11 H 1 0.898 0.002 . 1 . . . . 40 VAL QG1 . 15708 1
256 . 1 1 40 40 VAL HG12 H 1 0.898 0.002 . 1 . . . . 40 VAL QG1 . 15708 1
257 . 1 1 40 40 VAL HG13 H 1 0.898 0.002 . 1 . . . . 40 VAL QG1 . 15708 1
258 . 1 1 40 40 VAL HG21 H 1 0.898 0.002 . 1 . . . . 40 VAL QG2 . 15708 1
259 . 1 1 40 40 VAL HG22 H 1 0.898 0.002 . 1 . . . . 40 VAL QG2 . 15708 1
260 . 1 1 40 40 VAL HG23 H 1 0.898 0.002 . 1 . . . . 40 VAL QG2 . 15708 1
261 . 1 1 41 41 MET H H 1 7.898 0.003 . 1 . . . . 41 MET H . 15708 1
262 . 1 1 41 41 MET HA H 1 4.344 0.003 . 1 . . . . 41 MET HA . 15708 1
263 . 1 1 41 41 MET HB2 H 1 1.921 0.003 . 2 . . . . 41 MET HB2 . 15708 1
264 . 1 1 41 41 MET HB3 H 1 1.912 0.003 . 2 . . . . 41 MET HB3 . 15708 1
265 . 1 1 41 41 MET HG2 H 1 2.341 0.003 . 1 . . . . 41 MET HG2 . 15708 1
266 . 1 1 41 41 MET HG3 H 1 2.341 0.003 . 1 . . . . 41 MET HG3 . 15708 1
stop_
save_