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 51531
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'assigned chem shift list 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 $chem_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 .
_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 COSY' . . . 51531 1
2 '2D 1H-1H TOCSY' . . . 51531 1
3 '2D 1H-1H NOESY' . . . 51531 1
4 '2D 1H-13C HSQC aliphatic' . . . 51531 1
5 '2D 1H-13C HSQC aromatic' . . . 51531 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
2 $software_2 . . 51531 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 ASN HA H 1 3.712 0.002 . 1 . . . . . 1 ASN HA . 51531 1
2 . 1 . 1 1 1 ASN HB2 H 1 2.592 0.005 . 2 . . . . . 1 ASN HB2 . 51531 1
3 . 1 . 1 1 1 ASN HB3 H 1 2.662 0.003 . 2 . . . . . 1 ASN HB3 . 51531 1
4 . 1 . 1 1 1 ASN HD21 H 1 6.529 0.000 . 2 . . . . . 1 ASN HD21 . 51531 1
5 . 1 . 1 1 1 ASN HD22 H 1 7.236 0.002 . 2 . . . . . 1 ASN HD22 . 51531 1
6 . 1 . 1 1 1 ASN CA C 13 53.959 0.000 . 1 . . . . . 1 ASN CA . 51531 1
7 . 1 . 1 1 1 ASN CB C 13 41.710 0.006 . 1 . . . . . 1 ASN CB . 51531 1
8 . 1 . 1 2 2 TRP HA H 1 4.459 0.006 . 1 . . . . . 2 TRP HA . 51531 1
9 . 1 . 1 2 2 TRP HB2 H 1 3.200 0.005 . 2 . . . . . 2 TRP HB2 . 51531 1
10 . 1 . 1 2 2 TRP HB3 H 1 3.296 0.004 . 2 . . . . . 2 TRP HB3 . 51531 1
11 . 1 . 1 2 2 TRP HD1 H 1 7.087 0.001 . 1 . . . . . 2 TRP HD1 . 51531 1
12 . 1 . 1 2 2 TRP HE1 H 1 9.283 0.001 . 1 . . . . . 2 TRP HE1 . 51531 1
13 . 1 . 1 2 2 TRP HE3 H 1 7.455 0.003 . 1 . . . . . 2 TRP HE3 . 51531 1
14 . 1 . 1 2 2 TRP HZ2 H 1 7.449 0.003 . 1 . . . . . 2 TRP HZ2 . 51531 1
15 . 1 . 1 2 2 TRP HZ3 H 1 7.146 0.002 . 1 . . . . . 2 TRP HZ3 . 51531 1
16 . 1 . 1 2 2 TRP HH2 H 1 7.242 0.001 . 1 . . . . . 2 TRP HH2 . 51531 1
17 . 1 . 1 2 2 TRP CB C 13 29.110 0.000 . 1 . . . . . 2 TRP CB . 51531 1
18 . 1 . 1 2 2 TRP CD1 C 13 126.679 0.000 . 1 . . . . . 2 TRP CD1 . 51531 1
19 . 1 . 1 2 2 TRP CE3 C 13 120.475 0.000 . 1 . . . . . 2 TRP CE3 . 51531 1
20 . 1 . 1 2 2 TRP CZ2 C 13 114.464 0.000 . 1 . . . . . 2 TRP CZ2 . 51531 1
21 . 1 . 1 2 2 TRP CZ3 C 13 122.226 0.000 . 1 . . . . . 2 TRP CZ3 . 51531 1
22 . 1 . 1 2 2 TRP CH2 C 13 124.829 0.000 . 1 . . . . . 2 TRP CH2 . 51531 1
23 . 1 . 1 3 3 PHE H H 1 7.384 0.002 . 1 . . . . . 3 PHE H . 51531 1
24 . 1 . 1 3 3 PHE HA H 1 4.252 0.005 . 1 . . . . . 3 PHE HA . 51531 1
25 . 1 . 1 3 3 PHE HB2 H 1 2.848 0.002 . 2 . . . . . 3 PHE HB2 . 51531 1
26 . 1 . 1 3 3 PHE HB3 H 1 2.848 0.002 . 2 . . . . . 3 PHE HB3 . 51531 1
27 . 1 . 1 3 3 PHE HD1 H 1 7.049 0.004 . 1 . . . . . 3 PHE HD1 . 51531 1
28 . 1 . 1 3 3 PHE HD2 H 1 7.049 0.004 . 1 . . . . . 3 PHE HD2 . 51531 1
29 . 1 . 1 3 3 PHE HE1 H 1 7.294 0.005 . 1 . . . . . 3 PHE HE1 . 51531 1
30 . 1 . 1 3 3 PHE HE2 H 1 7.294 0.005 . 1 . . . . . 3 PHE HE2 . 51531 1
31 . 1 . 1 3 3 PHE HZ H 1 7.244 0.005 . 1 . . . . . 3 PHE HZ . 51531 1
32 . 1 . 1 3 3 PHE CA C 13 60.345 0.000 . 1 . . . . . 3 PHE CA . 51531 1
33 . 1 . 1 3 3 PHE CB C 13 38.640 0.000 . 1 . . . . . 3 PHE CB . 51531 1
34 . 1 . 1 3 3 PHE CD1 C 13 131.679 0.000 . 1 . . . . . 3 PHE CD1 . 51531 1
35 . 1 . 1 3 3 PHE CE1 C 13 131.405 0.000 . 1 . . . . . 3 PHE CE1 . 51531 1
36 . 1 . 1 3 3 PHE CZ C 13 129.817 0.000 . 1 . . . . . 3 PHE CZ . 51531 1
37 . 1 . 1 4 4 ASP H H 1 7.757 0.002 . 1 . . . . . 4 ASP H . 51531 1
38 . 1 . 1 4 4 ASP HA H 1 4.598 0.008 . 1 . . . . . 4 ASP HA . 51531 1
39 . 1 . 1 4 4 ASP HB2 H 1 2.705 0.007 . 2 . . . . . 4 ASP HB2 . 51531 1
40 . 1 . 1 4 4 ASP HB3 H 1 2.763 0.006 . 2 . . . . . 4 ASP HB3 . 51531 1
41 . 1 . 1 4 4 ASP CB C 13 40.898 0.004 . 1 . . . . . 4 ASP CB . 51531 1
42 . 1 . 1 5 5 ILE H H 1 7.798 0.003 . 1 . . . . . 5 ILE H . 51531 1
43 . 1 . 1 5 5 ILE HA H 1 3.984 0.003 . 1 . . . . . 5 ILE HA . 51531 1
44 . 1 . 1 5 5 ILE HB H 1 1.923 0.002 . 1 . . . . . 5 ILE HB . 51531 1
45 . 1 . 1 5 5 ILE HG12 H 1 1.302 0.003 . 2 . . . . . 5 ILE HG12 . 51531 1
46 . 1 . 1 5 5 ILE HG13 H 1 1.602 0.004 . 2 . . . . . 5 ILE HG13 . 51531 1
47 . 1 . 1 5 5 ILE HG21 H 1 1.005 0.001 . 1 . . . . . 5 ILE QG2 . 51531 1
48 . 1 . 1 5 5 ILE HG22 H 1 1.005 0.001 . 1 . . . . . 5 ILE QG2 . 51531 1
49 . 1 . 1 5 5 ILE HG23 H 1 1.005 0.001 . 1 . . . . . 5 ILE QG2 . 51531 1
50 . 1 . 1 5 5 ILE HD11 H 1 0.916 0.005 . 1 . . . . . 5 ILE QD1 . 51531 1
51 . 1 . 1 5 5 ILE HD12 H 1 0.916 0.005 . 1 . . . . . 5 ILE QD1 . 51531 1
52 . 1 . 1 5 5 ILE HD13 H 1 0.916 0.005 . 1 . . . . . 5 ILE QD1 . 51531 1
53 . 1 . 1 5 5 ILE CA C 13 64.261 0.000 . 1 . . . . . 5 ILE CA . 51531 1
54 . 1 . 1 5 5 ILE CB C 13 38.619 0.000 . 1 . . . . . 5 ILE CB . 51531 1
55 . 1 . 1 5 5 ILE CG1 C 13 28.456 0.009 . 1 . . . . . 5 ILE CG1 . 51531 1
56 . 1 . 1 5 5 ILE CG2 C 13 16.809 0.000 . 1 . . . . . 5 ILE CG2 . 51531 1
57 . 1 . 1 5 5 ILE CD1 C 13 12.446 0.000 . 1 . . . . . 5 ILE CD1 . 51531 1
58 . 1 . 1 6 6 THR H H 1 7.980 0.002 . 1 . . . . . 6 THR H . 51531 1
59 . 1 . 1 6 6 THR HA H 1 4.040 0.003 . 1 . . . . . 6 THR HA . 51531 1
60 . 1 . 1 6 6 THR HB H 1 4.216 0.003 . 1 . . . . . 6 THR HB . 51531 1
61 . 1 . 1 6 6 THR HG21 H 1 1.212 0.002 . 1 . . . . . 6 THR QG2 . 51531 1
62 . 1 . 1 6 6 THR HG22 H 1 1.212 0.002 . 1 . . . . . 6 THR QG2 . 51531 1
63 . 1 . 1 6 6 THR HG23 H 1 1.212 0.002 . 1 . . . . . 6 THR QG2 . 51531 1
64 . 1 . 1 6 6 THR CA C 13 65.421 0.000 . 1 . . . . . 6 THR CA . 51531 1
65 . 1 . 1 6 6 THR CB C 13 69.238 0.000 . 1 . . . . . 6 THR CB . 51531 1
66 . 1 . 1 6 6 THR CG2 C 13 21.167 0.000 . 1 . . . . . 6 THR CG2 . 51531 1
67 . 1 . 1 7 7 ASN H H 1 7.828 0.002 . 1 . . . . . 7 ASN H . 51531 1
68 . 1 . 1 7 7 ASN HA H 1 4.683 0.000 . 1 . . . . . 7 ASN HA . 51531 1
69 . 1 . 1 7 7 ASN HB2 H 1 2.721 0.003 . 2 . . . . . 7 ASN HB2 . 51531 1
70 . 1 . 1 7 7 ASN HB3 H 1 2.801 0.003 . 2 . . . . . 7 ASN HB3 . 51531 1
71 . 1 . 1 7 7 ASN HD21 H 1 6.160 0.001 . 2 . . . . . 7 ASN HD21 . 51531 1
72 . 1 . 1 7 7 ASN HD22 H 1 7.185 0.001 . 2 . . . . . 7 ASN HD22 . 51531 1
73 . 1 . 1 7 7 ASN CB C 13 38.773 0.002 . 1 . . . . . 7 ASN CB . 51531 1
74 . 1 . 1 8 8 TRP H H 1 7.960 0.002 . 1 . . . . . 8 TRP H . 51531 1
75 . 1 . 1 8 8 TRP HB2 H 1 3.378 0.003 . 2 . . . . . 8 TRP HB2 . 51531 1
76 . 1 . 1 8 8 TRP HB3 H 1 3.524 0.003 . 2 . . . . . 8 TRP HB3 . 51531 1
77 . 1 . 1 8 8 TRP HD1 H 1 7.222 0.001 . 1 . . . . . 8 TRP HD1 . 51531 1
78 . 1 . 1 8 8 TRP HE1 H 1 9.229 0.002 . 1 . . . . . 8 TRP HE1 . 51531 1
79 . 1 . 1 8 8 TRP HE3 H 1 7.576 0.003 . 1 . . . . . 8 TRP HE3 . 51531 1
80 . 1 . 1 8 8 TRP HZ2 H 1 7.391 0.001 . 1 . . . . . 8 TRP HZ2 . 51531 1
81 . 1 . 1 8 8 TRP HZ3 H 1 7.035 0.004 . 1 . . . . . 8 TRP HZ3 . 51531 1
82 . 1 . 1 8 8 TRP HH2 H 1 7.176 0.002 . 1 . . . . . 8 TRP HH2 . 51531 1
83 . 1 . 1 8 8 TRP CB C 13 29.424 0.007 . 1 . . . . . 8 TRP CB . 51531 1
84 . 1 . 1 8 8 TRP CD1 C 13 126.489 0.000 . 1 . . . . . 8 TRP CD1 . 51531 1
85 . 1 . 1 8 8 TRP CE3 C 13 120.691 0.000 . 1 . . . . . 8 TRP CE3 . 51531 1
86 . 1 . 1 8 8 TRP CZ2 C 13 114.212 0.000 . 1 . . . . . 8 TRP CZ2 . 51531 1
87 . 1 . 1 8 8 TRP CZ3 C 13 122.030 0.000 . 1 . . . . . 8 TRP CZ3 . 51531 1
88 . 1 . 1 8 8 TRP CH2 C 13 124.528 0.000 . 1 . . . . . 8 TRP CH2 . 51531 1
89 . 1 . 1 9 9 LEU H H 1 8.003 0.001 . 1 . . . . . 9 LEU H . 51531 1
90 . 1 . 1 9 9 LEU HA H 1 4.044 0.004 . 1 . . . . . 9 LEU HA . 51531 1
91 . 1 . 1 9 9 LEU HB2 H 1 1.488 0.002 . 2 . . . . . 9 LEU HB2 . 51531 1
92 . 1 . 1 9 9 LEU HB3 H 1 1.773 0.002 . 2 . . . . . 9 LEU HB3 . 51531 1
93 . 1 . 1 9 9 LEU HG H 1 1.767 0.004 . 1 . . . . . 9 LEU HG . 51531 1
94 . 1 . 1 9 9 LEU HD11 H 1 0.865 0.002 . 2 . . . . . 9 LEU QD1 . 51531 1
95 . 1 . 1 9 9 LEU HD12 H 1 0.865 0.002 . 2 . . . . . 9 LEU QD1 . 51531 1
96 . 1 . 1 9 9 LEU HD13 H 1 0.865 0.002 . 2 . . . . . 9 LEU QD1 . 51531 1
97 . 1 . 1 9 9 LEU HD21 H 1 0.929 0.004 . 2 . . . . . 9 LEU QD2 . 51531 1
98 . 1 . 1 9 9 LEU HD22 H 1 0.929 0.004 . 2 . . . . . 9 LEU QD2 . 51531 1
99 . 1 . 1 9 9 LEU HD23 H 1 0.929 0.004 . 2 . . . . . 9 LEU QD2 . 51531 1
100 . 1 . 1 9 9 LEU CA C 13 57.829 0.000 . 1 . . . . . 9 LEU CA . 51531 1
101 . 1 . 1 9 9 LEU CB C 13 41.892 0.007 . 1 . . . . . 9 LEU CB . 51531 1
102 . 1 . 1 9 9 LEU CG C 13 26.887 0.000 . 1 . . . . . 9 LEU CG . 51531 1
103 . 1 . 1 9 9 LEU CD1 C 13 22.485 0.000 . 1 . . . . . 9 LEU CD1 . 51531 1
104 . 1 . 1 9 9 LEU CD2 C 13 24.265 0.000 . 1 . . . . . 9 LEU CD2 . 51531 1
105 . 1 . 1 10 10 TRP H H 1 7.812 0.001 . 1 . . . . . 10 TRP H . 51531 1
106 . 1 . 1 10 10 TRP HA H 1 4.253 0.004 . 1 . . . . . 10 TRP HA . 51531 1
107 . 1 . 1 10 10 TRP HB2 H 1 3.326 0.006 . 2 . . . . . 10 TRP HB2 . 51531 1
108 . 1 . 1 10 10 TRP HB3 H 1 3.389 0.002 . 2 . . . . . 10 TRP HB3 . 51531 1
109 . 1 . 1 10 10 TRP HD1 H 1 7.043 0.002 . 1 . . . . . 10 TRP HD1 . 51531 1
110 . 1 . 1 10 10 TRP HE1 H 1 9.212 0.001 . 1 . . . . . 10 TRP HE1 . 51531 1
111 . 1 . 1 10 10 TRP HE3 H 1 7.354 0.002 . 1 . . . . . 10 TRP HE3 . 51531 1
112 . 1 . 1 10 10 TRP HZ2 H 1 7.406 0.004 . 1 . . . . . 10 TRP HZ2 . 51531 1
113 . 1 . 1 10 10 TRP HZ3 H 1 7.076 0.002 . 1 . . . . . 10 TRP HZ3 . 51531 1
114 . 1 . 1 10 10 TRP HH2 H 1 7.220 0.003 . 1 . . . . . 10 TRP HH2 . 51531 1
115 . 1 . 1 10 10 TRP CA C 13 59.161 0.000 . 1 . . . . . 10 TRP CA . 51531 1
116 . 1 . 1 10 10 TRP CB C 13 28.790 0.000 . 1 . . . . . 10 TRP CB . 51531 1
117 . 1 . 1 10 10 TRP CD1 C 13 126.691 0.000 . 1 . . . . . 10 TRP CD1 . 51531 1
118 . 1 . 1 10 10 TRP CE3 C 13 120.680 0.000 . 1 . . . . . 10 TRP CE3 . 51531 1
119 . 1 . 1 10 10 TRP CZ2 C 13 114.373 0.000 . 1 . . . . . 10 TRP CZ2 . 51531 1
120 . 1 . 1 10 10 TRP CZ3 C 13 122.102 0.000 . 1 . . . . . 10 TRP CZ3 . 51531 1
121 . 1 . 1 10 10 TRP CH2 C 13 124.710 0.000 . 1 . . . . . 10 TRP CH2 . 51531 1
122 . 1 . 1 11 11 TYR H H 1 7.380 0.003 . 1 . . . . . 11 TYR H . 51531 1
123 . 1 . 1 11 11 TYR HA H 1 4.050 0.004 . 1 . . . . . 11 TYR HA . 51531 1
124 . 1 . 1 11 11 TYR HB2 H 1 2.816 0.004 . 2 . . . . . 11 TYR HB2 . 51531 1
125 . 1 . 1 11 11 TYR HB3 H 1 2.972 0.005 . 2 . . . . . 11 TYR HB3 . 51531 1
126 . 1 . 1 11 11 TYR HD1 H 1 7.074 0.002 . 1 . . . . . 11 TYR HD1 . 51531 1
127 . 1 . 1 11 11 TYR HD2 H 1 7.074 0.002 . 1 . . . . . 11 TYR HD2 . 51531 1
128 . 1 . 1 11 11 TYR HE1 H 1 6.820 0.003 . 1 . . . . . 11 TYR HE1 . 51531 1
129 . 1 . 1 11 11 TYR HE2 H 1 6.820 0.003 . 1 . . . . . 11 TYR HE2 . 51531 1
130 . 1 . 1 11 11 TYR CA C 13 61.181 0.000 . 1 . . . . . 11 TYR CA . 51531 1
131 . 1 . 1 11 11 TYR CB C 13 38.060 0.009 . 1 . . . . . 11 TYR CB . 51531 1
132 . 1 . 1 11 11 TYR CD1 C 13 133.124 0.000 . 1 . . . . . 11 TYR CD1 . 51531 1
133 . 1 . 1 11 11 TYR CE1 C 13 118.044 0.000 . 1 . . . . . 11 TYR CE1 . 51531 1
134 . 1 . 1 12 12 ILE H H 1 7.899 0.001 . 1 . . . . . 12 ILE H . 51531 1
135 . 1 . 1 12 12 ILE HA H 1 3.824 0.002 . 1 . . . . . 12 ILE HA . 51531 1
136 . 1 . 1 12 12 ILE HB H 1 1.883 0.002 . 1 . . . . . 12 ILE HB . 51531 1
137 . 1 . 1 12 12 ILE HG12 H 1 1.173 0.002 . 2 . . . . . 12 ILE HG12 . 51531 1
138 . 1 . 1 12 12 ILE HG13 H 1 1.538 0.003 . 2 . . . . . 12 ILE HG13 . 51531 1
139 . 1 . 1 12 12 ILE HG21 H 1 0.928 0.001 . 1 . . . . . 12 ILE QG2 . 51531 1
140 . 1 . 1 12 12 ILE HG22 H 1 0.928 0.001 . 1 . . . . . 12 ILE QG2 . 51531 1
141 . 1 . 1 12 12 ILE HG23 H 1 0.928 0.001 . 1 . . . . . 12 ILE QG2 . 51531 1
142 . 1 . 1 12 12 ILE HD11 H 1 0.816 0.002 . 1 . . . . . 12 ILE QD1 . 51531 1
143 . 1 . 1 12 12 ILE HD12 H 1 0.816 0.002 . 1 . . . . . 12 ILE QD1 . 51531 1
144 . 1 . 1 12 12 ILE HD13 H 1 0.816 0.002 . 1 . . . . . 12 ILE QD1 . 51531 1
145 . 1 . 1 12 12 ILE CA C 13 64.411 0.000 . 1 . . . . . 12 ILE CA . 51531 1
146 . 1 . 1 12 12 ILE CB C 13 37.785 0.000 . 1 . . . . . 12 ILE CB . 51531 1
147 . 1 . 1 12 12 ILE CG1 C 13 28.361 0.007 . 1 . . . . . 12 ILE CG1 . 51531 1
148 . 1 . 1 12 12 ILE CG2 C 13 16.865 0.000 . 1 . . . . . 12 ILE CG2 . 51531 1
149 . 1 . 1 12 12 ILE CD1 C 13 11.702 0.000 . 1 . . . . . 12 ILE CD1 . 51531 1
150 . 1 . 1 13 13 LYS H H 1 7.842 0.002 . 1 . . . . . 13 LYS H . 51531 1
151 . 1 . 1 13 13 LYS HA H 1 3.919 0.004 . 1 . . . . . 13 LYS HA . 51531 1
152 . 1 . 1 13 13 LYS HB2 H 1 1.835 0.004 . 2 . . . . . 13 LYS HB2 . 51531 1
153 . 1 . 1 13 13 LYS HB3 H 1 1.884 0.003 . 2 . . . . . 13 LYS HB3 . 51531 1
154 . 1 . 1 13 13 LYS HG2 H 1 1.375 0.002 . 2 . . . . . 13 LYS HG2 . 51531 1
155 . 1 . 1 13 13 LYS HG3 H 1 1.597 0.001 . 2 . . . . . 13 LYS HG3 . 51531 1
156 . 1 . 1 13 13 LYS HD2 H 1 1.592 0.005 . 2 . . . . . 13 LYS HD2 . 51531 1
157 . 1 . 1 13 13 LYS HD3 H 1 1.592 0.005 . 2 . . . . . 13 LYS HD3 . 51531 1
158 . 1 . 1 13 13 LYS HE2 H 1 2.849 0.002 . 2 . . . . . 13 LYS HE2 . 51531 1
159 . 1 . 1 13 13 LYS HE3 H 1 2.849 0.002 . 2 . . . . . 13 LYS HE3 . 51531 1
160 . 1 . 1 13 13 LYS CA C 13 60.209 0.000 . 1 . . . . . 13 LYS CA . 51531 1
161 . 1 . 1 13 13 LYS CB C 13 32.151 0.003 . 1 . . . . . 13 LYS CB . 51531 1
162 . 1 . 1 13 13 LYS CG C 13 25.366 0.014 . 1 . . . . . 13 LYS CG . 51531 1
163 . 1 . 1 13 13 LYS CD C 13 29.914 0.000 . 1 . . . . . 13 LYS CD . 51531 1
164 . 1 . 1 13 13 LYS CE C 13 42.362 0.000 . 1 . . . . . 13 LYS CE . 51531 1
165 . 1 . 1 14 14 LEU H H 1 7.638 0.001 . 1 . . . . . 14 LEU H . 51531 1
166 . 1 . 1 14 14 LEU HA H 1 4.062 0.005 . 1 . . . . . 14 LEU HA . 51531 1
167 . 1 . 1 14 14 LEU HB2 H 1 1.572 0.001 . 2 . . . . . 14 LEU HB2 . 51531 1
168 . 1 . 1 14 14 LEU HB3 H 1 1.730 0.002 . 2 . . . . . 14 LEU HB3 . 51531 1
169 . 1 . 1 14 14 LEU HG H 1 1.625 0.003 . 1 . . . . . 14 LEU HG . 51531 1
170 . 1 . 1 14 14 LEU HD11 H 1 0.892 0.002 . 2 . . . . . 14 LEU QD1 . 51531 1
171 . 1 . 1 14 14 LEU HD12 H 1 0.892 0.002 . 2 . . . . . 14 LEU QD1 . 51531 1
172 . 1 . 1 14 14 LEU HD13 H 1 0.892 0.002 . 2 . . . . . 14 LEU QD1 . 51531 1
173 . 1 . 1 14 14 LEU HD21 H 1 0.892 0.002 . 2 . . . . . 14 LEU QD2 . 51531 1
174 . 1 . 1 14 14 LEU HD22 H 1 0.892 0.002 . 2 . . . . . 14 LEU QD2 . 51531 1
175 . 1 . 1 14 14 LEU HD23 H 1 0.892 0.002 . 2 . . . . . 14 LEU QD2 . 51531 1
176 . 1 . 1 14 14 LEU CA C 13 58.247 0.000 . 1 . . . . . 14 LEU CA . 51531 1
177 . 1 . 1 14 14 LEU CB C 13 41.832 0.004 . 1 . . . . . 14 LEU CB . 51531 1
178 . 1 . 1 14 14 LEU CG C 13 26.960 0.000 . 1 . . . . . 14 LEU CG . 51531 1
179 . 1 . 1 14 14 LEU CD1 C 13 23.209 0.000 . 1 . . . . . 14 LEU CD1 . 51531 1
180 . 1 . 1 14 14 LEU CD2 C 13 23.848 0.000 . 1 . . . . . 14 LEU CD2 . 51531 1
181 . 1 . 1 15 15 PHE H H 1 8.082 0.001 . 1 . . . . . 15 PHE H . 51531 1
182 . 1 . 1 15 15 PHE HA H 1 4.160 0.004 . 1 . . . . . 15 PHE HA . 51531 1
183 . 1 . 1 15 15 PHE HB2 H 1 3.129 0.004 . 2 . . . . . 15 PHE HB2 . 51531 1
184 . 1 . 1 15 15 PHE HB3 H 1 3.292 0.003 . 2 . . . . . 15 PHE HB3 . 51531 1
185 . 1 . 1 15 15 PHE HD1 H 1 7.152 0.003 . 1 . . . . . 15 PHE HD1 . 51531 1
186 . 1 . 1 15 15 PHE HD2 H 1 7.152 0.003 . 1 . . . . . 15 PHE HD2 . 51531 1
187 . 1 . 1 15 15 PHE HE1 H 1 7.230 0.006 . 1 . . . . . 15 PHE HE1 . 51531 1
188 . 1 . 1 15 15 PHE HE2 H 1 7.230 0.006 . 1 . . . . . 15 PHE HE2 . 51531 1
189 . 1 . 1 15 15 PHE HZ H 1 7.185 0.003 . 1 . . . . . 15 PHE HZ . 51531 1
190 . 1 . 1 15 15 PHE CA C 13 61.831 0.000 . 1 . . . . . 15 PHE CA . 51531 1
191 . 1 . 1 15 15 PHE CB C 13 38.924 0.000 . 1 . . . . . 15 PHE CB . 51531 1
192 . 1 . 1 15 15 PHE CD1 C 13 131.482 0.000 . 1 . . . . . 15 PHE CD1 . 51531 1
193 . 1 . 1 15 15 PHE CE1 C 13 130.920 0.000 . 1 . . . . . 15 PHE CE1 . 51531 1
194 . 1 . 1 15 15 PHE CZ C 13 129.375 0.000 . 1 . . . . . 15 PHE CZ . 51531 1
195 . 1 . 1 16 16 ILE H H 1 8.459 0.003 . 1 . . . . . 16 ILE H . 51531 1
196 . 1 . 1 16 16 ILE HA H 1 3.565 0.003 . 1 . . . . . 16 ILE HA . 51531 1
197 . 1 . 1 16 16 ILE HB H 1 2.013 0.003 . 1 . . . . . 16 ILE HB . 51531 1
198 . 1 . 1 16 16 ILE HG12 H 1 1.300 0.003 . 2 . . . . . 16 ILE HG12 . 51531 1
199 . 1 . 1 16 16 ILE HG13 H 1 1.911 0.004 . 2 . . . . . 16 ILE HG13 . 51531 1
200 . 1 . 1 16 16 ILE HG21 H 1 0.930 0.005 . 1 . . . . . 16 ILE QG2 . 51531 1
201 . 1 . 1 16 16 ILE HG22 H 1 0.930 0.005 . 1 . . . . . 16 ILE QG2 . 51531 1
202 . 1 . 1 16 16 ILE HG23 H 1 0.930 0.005 . 1 . . . . . 16 ILE QG2 . 51531 1
203 . 1 . 1 16 16 ILE HD11 H 1 0.888 0.004 . 1 . . . . . 16 ILE QD1 . 51531 1
204 . 1 . 1 16 16 ILE HD12 H 1 0.888 0.004 . 1 . . . . . 16 ILE QD1 . 51531 1
205 . 1 . 1 16 16 ILE HD13 H 1 0.888 0.004 . 1 . . . . . 16 ILE QD1 . 51531 1
206 . 1 . 1 16 16 ILE CA C 13 65.222 0.000 . 1 . . . . . 16 ILE CA . 51531 1
207 . 1 . 1 16 16 ILE CB C 13 37.891 0.000 . 1 . . . . . 16 ILE CB . 51531 1
208 . 1 . 1 16 16 ILE CG1 C 13 28.806 0.009 . 1 . . . . . 16 ILE CG1 . 51531 1
209 . 1 . 1 16 16 ILE CG2 C 13 16.556 0.000 . 1 . . . . . 16 ILE CG2 . 51531 1
210 . 1 . 1 16 16 ILE CD1 C 13 12.158 0.000 . 1 . . . . . 16 ILE CD1 . 51531 1
211 . 1 . 1 17 17 MET H H 1 8.084 0.002 . 1 . . . . . 17 MET H . 51531 1
212 . 1 . 1 17 17 MET HA H 1 4.151 0.004 . 1 . . . . . 17 MET HA . 51531 1
213 . 1 . 1 17 17 MET HB2 H 1 2.218 0.002 . 2 . . . . . 17 MET HB2 . 51531 1
214 . 1 . 1 17 17 MET HB3 H 1 2.409 0.002 . 2 . . . . . 17 MET HB3 . 51531 1
215 . 1 . 1 17 17 MET HG2 H 1 2.570 0.003 . 2 . . . . . 17 MET HG2 . 51531 1
216 . 1 . 1 17 17 MET HG3 H 1 2.769 0.004 . 2 . . . . . 17 MET HG3 . 51531 1
217 . 1 . 1 17 17 MET HE1 H 1 2.066 0.004 . 1 . . . . . 17 MET HE# . 51531 1
218 . 1 . 1 17 17 MET HE2 H 1 2.066 0.004 . 1 . . . . . 17 MET HE# . 51531 1
219 . 1 . 1 17 17 MET HE3 H 1 2.066 0.004 . 1 . . . . . 17 MET HE# . 51531 1
220 . 1 . 1 17 17 MET CA C 13 58.939 0.000 . 1 . . . . . 17 MET CA . 51531 1
221 . 1 . 1 17 17 MET CB C 13 32.506 0.018 . 1 . . . . . 17 MET CB . 51531 1
222 . 1 . 1 17 17 MET CG C 13 32.188 0.000 . 1 . . . . . 17 MET CG . 51531 1
223 . 1 . 1 17 17 MET CE C 13 16.059 0.000 . 1 . . . . . 17 MET CE . 51531 1
224 . 1 . 1 18 18 ILE H H 1 8.448 0.002 . 1 . . . . . 18 ILE H . 51531 1
225 . 1 . 1 18 18 ILE HA H 1 3.749 0.003 . 1 . . . . . 18 ILE HA . 51531 1
226 . 1 . 1 18 18 ILE HB H 1 1.997 0.003 . 1 . . . . . 18 ILE HB . 51531 1
227 . 1 . 1 18 18 ILE HG12 H 1 1.140 0.001 . 2 . . . . . 18 ILE HG12 . 51531 1
228 . 1 . 1 18 18 ILE HG13 H 1 1.809 0.003 . 2 . . . . . 18 ILE HG13 . 51531 1
229 . 1 . 1 18 18 ILE HG21 H 1 0.880 0.003 . 1 . . . . . 18 ILE QG2 . 51531 1
230 . 1 . 1 18 18 ILE HG22 H 1 0.880 0.003 . 1 . . . . . 18 ILE QG2 . 51531 1
231 . 1 . 1 18 18 ILE HG23 H 1 0.880 0.003 . 1 . . . . . 18 ILE QG2 . 51531 1
232 . 1 . 1 18 18 ILE HD11 H 1 0.859 0.001 . 1 . . . . . 18 ILE QD1 . 51531 1
233 . 1 . 1 18 18 ILE HD12 H 1 0.859 0.001 . 1 . . . . . 18 ILE QD1 . 51531 1
234 . 1 . 1 18 18 ILE HD13 H 1 0.859 0.001 . 1 . . . . . 18 ILE QD1 . 51531 1
235 . 1 . 1 18 18 ILE CA C 13 65.365 0.000 . 1 . . . . . 18 ILE CA . 51531 1
236 . 1 . 1 18 18 ILE CB C 13 38.166 0.000 . 1 . . . . . 18 ILE CB . 51531 1
237 . 1 . 1 18 18 ILE CG1 C 13 28.764 0.002 . 1 . . . . . 18 ILE CG1 . 51531 1
238 . 1 . 1 18 18 ILE CG2 C 13 16.406 0.000 . 1 . . . . . 18 ILE CG2 . 51531 1
239 . 1 . 1 18 18 ILE CD1 C 13 11.984 0.000 . 1 . . . . . 18 ILE CD1 . 51531 1
240 . 1 . 1 19 19 VAL H H 1 8.522 0.001 . 1 . . . . . 19 VAL H . 51531 1
241 . 1 . 1 19 19 VAL HA H 1 3.521 0.002 . 1 . . . . . 19 VAL HA . 51531 1
242 . 1 . 1 19 19 VAL HB H 1 1.841 0.002 . 1 . . . . . 19 VAL HB . 51531 1
243 . 1 . 1 19 19 VAL HG11 H 1 0.676 0.001 . 2 . . . . . 19 VAL QG1 . 51531 1
244 . 1 . 1 19 19 VAL HG12 H 1 0.676 0.001 . 2 . . . . . 19 VAL QG1 . 51531 1
245 . 1 . 1 19 19 VAL HG13 H 1 0.676 0.001 . 2 . . . . . 19 VAL QG1 . 51531 1
246 . 1 . 1 19 19 VAL HG21 H 1 0.793 0.003 . 2 . . . . . 19 VAL QG2 . 51531 1
247 . 1 . 1 19 19 VAL HG22 H 1 0.793 0.003 . 2 . . . . . 19 VAL QG2 . 51531 1
248 . 1 . 1 19 19 VAL HG23 H 1 0.793 0.003 . 2 . . . . . 19 VAL QG2 . 51531 1
249 . 1 . 1 19 19 VAL CA C 13 66.980 0.000 . 1 . . . . . 19 VAL CA . 51531 1
250 . 1 . 1 19 19 VAL CB C 13 31.470 0.000 . 1 . . . . . 19 VAL CB . 51531 1
251 . 1 . 1 19 19 VAL CG1 C 13 21.934 0.000 . 1 . . . . . 19 VAL CG1 . 51531 1
252 . 1 . 1 19 19 VAL CG2 C 13 20.698 0.000 . 1 . . . . . 19 VAL CG2 . 51531 1
253 . 1 . 1 20 20 GLY H H 1 8.281 0.002 . 1 . . . . . 20 GLY H . 51531 1
254 . 1 . 1 20 20 GLY HA2 H 1 3.748 0.003 . 2 . . . . . 20 GLY HA2 . 51531 1
255 . 1 . 1 20 20 GLY HA3 H 1 3.871 0.004 . 2 . . . . . 20 GLY HA3 . 51531 1
256 . 1 . 1 21 21 LYS H H 1 7.879 0.002 . 1 . . . . . 21 LYS H . 51531 1
257 . 1 . 1 21 21 LYS HA H 1 4.141 0.002 . 1 . . . . . 21 LYS HA . 51531 1
258 . 1 . 1 21 21 LYS HB2 H 1 1.944 0.004 . 2 . . . . . 21 LYS HB2 . 51531 1
259 . 1 . 1 21 21 LYS HB3 H 1 2.067 0.004 . 2 . . . . . 21 LYS HB3 . 51531 1
260 . 1 . 1 21 21 LYS HG2 H 1 1.500 0.004 . 2 . . . . . 21 LYS HG2 . 51531 1
261 . 1 . 1 21 21 LYS HG3 H 1 1.635 0.000 . 2 . . . . . 21 LYS HG3 . 51531 1
262 . 1 . 1 21 21 LYS HD2 H 1 1.707 0.006 . 2 . . . . . 21 LYS HD2 . 51531 1
263 . 1 . 1 21 21 LYS HD3 H 1 1.707 0.006 . 2 . . . . . 21 LYS HD3 . 51531 1
264 . 1 . 1 21 21 LYS HE2 H 1 2.979 0.005 . 2 . . . . . 21 LYS HE2 . 51531 1
265 . 1 . 1 21 21 LYS HE3 H 1 2.979 0.005 . 2 . . . . . 21 LYS HE3 . 51531 1
266 . 1 . 1 21 21 LYS CA C 13 59.008 0.000 . 1 . . . . . 21 LYS CA . 51531 1
267 . 1 . 1 21 21 LYS CB C 13 32.439 0.003 . 1 . . . . . 21 LYS CB . 51531 1
268 . 1 . 1 21 21 LYS CG C 13 25.077 0.000 . 1 . . . . . 21 LYS CG . 51531 1
269 . 1 . 1 21 21 LYS CD C 13 29.242 0.000 . 1 . . . . . 21 LYS CD . 51531 1
270 . 1 . 1 21 21 LYS CE C 13 42.441 0.000 . 1 . . . . . 21 LYS CE . 51531 1
271 . 1 . 1 22 22 LYS H H 1 8.231 0.001 . 1 . . . . . 22 LYS H . 51531 1
272 . 1 . 1 22 22 LYS HA H 1 4.110 0.003 . 1 . . . . . 22 LYS HA . 51531 1
273 . 1 . 1 22 22 LYS HB2 H 1 1.942 0.004 . 2 . . . . . 22 LYS HB2 . 51531 1
274 . 1 . 1 22 22 LYS HB3 H 1 2.016 0.001 . 2 . . . . . 22 LYS HB3 . 51531 1
275 . 1 . 1 22 22 LYS HG2 H 1 1.492 0.004 . 2 . . . . . 22 LYS HG2 . 51531 1
276 . 1 . 1 22 22 LYS HG3 H 1 1.617 0.007 . 2 . . . . . 22 LYS HG3 . 51531 1
277 . 1 . 1 22 22 LYS HD2 H 1 1.676 0.004 . 2 . . . . . 22 LYS HD2 . 51531 1
278 . 1 . 1 22 22 LYS HD3 H 1 1.676 0.004 . 2 . . . . . 22 LYS HD3 . 51531 1
279 . 1 . 1 22 22 LYS HE2 H 1 2.963 0.005 . 2 . . . . . 22 LYS HE2 . 51531 1
280 . 1 . 1 22 22 LYS HE3 H 1 2.963 0.005 . 2 . . . . . 22 LYS HE3 . 51531 1
281 . 1 . 1 22 22 LYS CA C 13 58.815 0.000 . 1 . . . . . 22 LYS CA . 51531 1
282 . 1 . 1 22 22 LYS CB C 13 32.447 0.000 . 1 . . . . . 22 LYS CB . 51531 1
283 . 1 . 1 22 22 LYS CG C 13 25.216 0.006 . 1 . . . . . 22 LYS CG . 51531 1
284 . 1 . 1 22 22 LYS CD C 13 29.426 0.000 . 1 . . . . . 22 LYS CD . 51531 1
285 . 1 . 1 22 22 LYS CE C 13 42.221 0.000 . 1 . . . . . 22 LYS CE . 51531 1
286 . 1 . 1 23 23 LYS H H 1 8.359 0.002 . 1 . . . . . 23 LYS H . 51531 1
287 . 1 . 1 23 23 LYS HA H 1 4.193 0.004 . 1 . . . . . 23 LYS HA . 51531 1
288 . 1 . 1 23 23 LYS HB2 H 1 1.948 0.002 . 2 . . . . . 23 LYS HB2 . 51531 1
289 . 1 . 1 23 23 LYS HB3 H 1 1.948 0.002 . 2 . . . . . 23 LYS HB3 . 51531 1
290 . 1 . 1 23 23 LYS HG2 H 1 1.514 0.004 . 2 . . . . . 23 LYS HG2 . 51531 1
291 . 1 . 1 23 23 LYS HG3 H 1 1.585 0.006 . 2 . . . . . 23 LYS HG3 . 51531 1
292 . 1 . 1 23 23 LYS HD2 H 1 1.706 0.008 . 2 . . . . . 23 LYS HD2 . 51531 1
293 . 1 . 1 23 23 LYS HD3 H 1 1.706 0.008 . 2 . . . . . 23 LYS HD3 . 51531 1
294 . 1 . 1 23 23 LYS HE2 H 1 2.983 0.005 . 2 . . . . . 23 LYS HE2 . 51531 1
295 . 1 . 1 23 23 LYS HE3 H 1 2.983 0.005 . 2 . . . . . 23 LYS HE3 . 51531 1
296 . 1 . 1 23 23 LYS CA C 13 57.910 0.000 . 1 . . . . . 23 LYS CA . 51531 1
297 . 1 . 1 23 23 LYS CB C 13 32.575 0.000 . 1 . . . . . 23 LYS CB . 51531 1
298 . 1 . 1 23 23 LYS CG C 13 25.023 0.008 . 1 . . . . . 23 LYS CG . 51531 1
299 . 1 . 1 23 23 LYS CD C 13 29.533 0.000 . 1 . . . . . 23 LYS CD . 51531 1
300 . 1 . 1 23 23 LYS CE C 13 42.239 0.000 . 1 . . . . . 23 LYS CE . 51531 1
301 . 1 . 1 24 24 LYS H H 1 7.905 0.002 . 1 . . . . . 24 LYS H . 51531 1
302 . 1 . 1 24 24 LYS HA H 1 4.254 0.003 . 1 . . . . . 24 LYS HA . 51531 1
303 . 1 . 1 24 24 LYS HB2 H 1 1.961 0.004 . 2 . . . . . 24 LYS HB2 . 51531 1
304 . 1 . 1 24 24 LYS HB3 H 1 1.961 0.004 . 2 . . . . . 24 LYS HB3 . 51531 1
305 . 1 . 1 24 24 LYS HG2 H 1 1.532 0.003 . 2 . . . . . 24 LYS HG2 . 51531 1
306 . 1 . 1 24 24 LYS HG3 H 1 1.588 0.000 . 2 . . . . . 24 LYS HG3 . 51531 1
307 . 1 . 1 24 24 LYS HD2 H 1 1.744 0.002 . 2 . . . . . 24 LYS HD2 . 51531 1
308 . 1 . 1 24 24 LYS HD3 H 1 1.744 0.002 . 2 . . . . . 24 LYS HD3 . 51531 1
309 . 1 . 1 24 24 LYS HE2 H 1 3.022 0.001 . 2 . . . . . 24 LYS HE2 . 51531 1
310 . 1 . 1 24 24 LYS HE3 H 1 3.022 0.001 . 2 . . . . . 24 LYS HE3 . 51531 1
311 . 1 . 1 24 24 LYS CA C 13 57.428 0.000 . 1 . . . . . 24 LYS CA . 51531 1
312 . 1 . 1 24 24 LYS CB C 13 32.799 0.000 . 1 . . . . . 24 LYS CB . 51531 1
313 . 1 . 1 24 24 LYS CG C 13 24.862 0.000 . 1 . . . . . 24 LYS CG . 51531 1
314 . 1 . 1 24 24 LYS CD C 13 29.043 0.000 . 1 . . . . . 24 LYS CD . 51531 1
315 . 1 . 1 24 24 LYS CE C 13 42.267 0.000 . 1 . . . . . 24 LYS CE . 51531 1
316 . 1 . 1 25 25 LYS H H 1 7.992 0.001 . 1 . . . . . 25 LYS H . 51531 1
317 . 1 . 1 25 25 LYS HA H 1 4.287 0.003 . 1 . . . . . 25 LYS HA . 51531 1
318 . 1 . 1 25 25 LYS HB2 H 1 1.909 0.001 . 2 . . . . . 25 LYS HB2 . 51531 1
319 . 1 . 1 25 25 LYS HB3 H 1 1.946 0.001 . 2 . . . . . 25 LYS HB3 . 51531 1
320 . 1 . 1 25 25 LYS HG2 H 1 1.555 0.001 . 2 . . . . . 25 LYS HG2 . 51531 1
321 . 1 . 1 25 25 LYS HG3 H 1 1.555 0.001 . 2 . . . . . 25 LYS HG3 . 51531 1
322 . 1 . 1 25 25 LYS HD2 H 1 1.749 0.002 . 2 . . . . . 25 LYS HD2 . 51531 1
323 . 1 . 1 25 25 LYS HD3 H 1 1.749 0.002 . 2 . . . . . 25 LYS HD3 . 51531 1
324 . 1 . 1 25 25 LYS HE2 H 1 3.040 0.004 . 2 . . . . . 25 LYS HE2 . 51531 1
325 . 1 . 1 25 25 LYS HE3 H 1 3.040 0.004 . 2 . . . . . 25 LYS HE3 . 51531 1
326 . 1 . 1 25 25 LYS CA C 13 56.671 0.000 . 1 . . . . . 25 LYS CA . 51531 1
327 . 1 . 1 25 25 LYS CB C 13 32.944 0.007 . 1 . . . . . 25 LYS CB . 51531 1
328 . 1 . 1 25 25 LYS CG C 13 24.740 0.000 . 1 . . . . . 25 LYS CG . 51531 1
329 . 1 . 1 25 25 LYS CD C 13 29.181 0.000 . 1 . . . . . 25 LYS CD . 51531 1
330 . 1 . 1 25 25 LYS CE C 13 42.230 0.000 . 1 . . . . . 25 LYS CE . 51531 1
stop_
save_