Content for NMR-STAR saveframe, "assigned_chemical_shifts_2"
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 51537
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 'assigned chem shift list 2'
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_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 'Chemical shifts at 308K'
_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
6 '2D DQF-COSY' . . . 51537 2
7 '2D 1H-1H TOCSY' . . . 51537 2
8 '2D 1H-1H NOESY' . . . 51537 2
9 '2D 1H-13C HSQC aliphatic' . . . 51537 2
10 '2D 1H-13C HSQC aromatic' . . . 51537 2
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 $software_1 . . 51537 2
2 $software_2 . . 51537 2
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 PHE HA H 1 4.509 0.003 . 1 . . . . . 1 PHE HA . 51537 2
2 . 1 . 1 1 1 PHE HB2 H 1 3.265 0.003 . 2 . . . . . 1 PHE HB2 . 51537 2
3 . 1 . 1 1 1 PHE HB3 H 1 3.265 0.003 . 2 . . . . . 1 PHE HB3 . 51537 2
4 . 1 . 1 1 1 PHE HD1 H 1 7.471 0.002 . 1 . . . . . 1 PHE HD1 . 51537 2
5 . 1 . 1 1 1 PHE HD2 H 1 7.471 0.002 . 1 . . . . . 1 PHE HD2 . 51537 2
6 . 1 . 1 1 1 PHE HE1 H 1 7.342 0.002 . 1 . . . . . 1 PHE HE1 . 51537 2
7 . 1 . 1 1 1 PHE HE2 H 1 7.342 0.002 . 1 . . . . . 1 PHE HE2 . 51537 2
8 . 1 . 1 1 1 PHE HZ H 1 7.261 0.002 . 1 . . . . . 1 PHE HZ . 51537 2
9 . 1 . 1 1 1 PHE CA C 13 56.047 0.000 . 1 . . . . . 1 PHE CA . 51537 2
10 . 1 . 1 1 1 PHE CB C 13 39.285 0.000 . 1 . . . . . 1 PHE CB . 51537 2
11 . 1 . 1 1 1 PHE CD1 C 13 132.671 0.000 . 1 . . . . . 1 PHE CD1 . 51537 2
12 . 1 . 1 1 1 PHE CD2 C 13 132.671 0.000 . 1 . . . . . 1 PHE CD2 . 51537 2
13 . 1 . 1 1 1 PHE CE1 C 13 131.653 0.000 . 1 . . . . . 1 PHE CE1 . 51537 2
14 . 1 . 1 1 1 PHE CE2 C 13 131.653 0.000 . 1 . . . . . 1 PHE CE2 . 51537 2
15 . 1 . 1 1 1 PHE CZ C 13 130.189 0.000 . 1 . . . . . 1 PHE CZ . 51537 2
16 . 1 . 1 2 2 PRO HA H 1 4.520 0.005 . 1 . . . . . 2 PRO HA . 51537 2
17 . 1 . 1 2 2 PRO HB2 H 1 1.852 0.004 . 2 . . . . . 2 PRO HB2 . 51537 2
18 . 1 . 1 2 2 PRO HB3 H 1 2.263 0.002 . 2 . . . . . 2 PRO HB3 . 51537 2
19 . 1 . 1 2 2 PRO HG2 H 1 1.738 0.002 . 2 . . . . . 2 PRO HG2 . 51537 2
20 . 1 . 1 2 2 PRO HG3 H 1 1.906 0.002 . 2 . . . . . 2 PRO HG3 . 51537 2
21 . 1 . 1 2 2 PRO HD2 H 1 2.756 0.003 . 2 . . . . . 2 PRO HD2 . 51537 2
22 . 1 . 1 2 2 PRO HD3 H 1 3.598 0.004 . 2 . . . . . 2 PRO HD3 . 51537 2
23 . 1 . 1 2 2 PRO CA C 13 63.853 0.000 . 1 . . . . . 2 PRO CA . 51537 2
24 . 1 . 1 2 2 PRO CB C 13 31.962 0.002 . 1 . . . . . 2 PRO CB . 51537 2
25 . 1 . 1 2 2 PRO CG C 13 27.443 0.008 . 1 . . . . . 2 PRO CG . 51537 2
26 . 1 . 1 2 2 PRO CD C 13 50.462 0.004 . 1 . . . . . 2 PRO CD . 51537 2
27 . 1 . 1 3 3 ILE H H 1 7.691 0.002 . 1 . . . . . 3 ILE H . 51537 2
28 . 1 . 1 3 3 ILE HA H 1 4.360 0.001 . 1 . . . . . 3 ILE HA . 51537 2
29 . 1 . 1 3 3 ILE HB H 1 1.908 0.001 . 1 . . . . . 3 ILE HB . 51537 2
30 . 1 . 1 3 3 ILE HG12 H 1 1.178 0.006 . 2 . . . . . 3 ILE HG12 . 51537 2
31 . 1 . 1 3 3 ILE HG13 H 1 1.517 0.001 . 2 . . . . . 3 ILE HG13 . 51537 2
32 . 1 . 1 3 3 ILE HG21 H 1 0.949 0.003 . 1 . . . . . 3 ILE QG2 . 51537 2
33 . 1 . 1 3 3 ILE HG22 H 1 0.949 0.003 . 1 . . . . . 3 ILE QG2 . 51537 2
34 . 1 . 1 3 3 ILE HG23 H 1 0.949 0.003 . 1 . . . . . 3 ILE QG2 . 51537 2
35 . 1 . 1 3 3 ILE HD11 H 1 0.886 0.006 . 1 . . . . . 3 ILE QD1 . 51537 2
36 . 1 . 1 3 3 ILE HD12 H 1 0.886 0.006 . 1 . . . . . 3 ILE QD1 . 51537 2
37 . 1 . 1 3 3 ILE HD13 H 1 0.886 0.006 . 1 . . . . . 3 ILE QD1 . 51537 2
38 . 1 . 1 3 3 ILE CA C 13 60.792 0.000 . 1 . . . . . 3 ILE CA . 51537 2
39 . 1 . 1 3 3 ILE CB C 13 39.723 0.000 . 1 . . . . . 3 ILE CB . 51537 2
40 . 1 . 1 3 3 ILE CG1 C 13 27.459 0.007 . 1 . . . . . 3 ILE CG1 . 51537 2
41 . 1 . 1 3 3 ILE CG2 C 13 17.936 0.000 . 1 . . . . . 3 ILE CG2 . 51537 2
42 . 1 . 1 3 3 ILE CD1 C 13 13.417 0.000 . 1 . . . . . 3 ILE CD1 . 51537 2
43 . 1 . 1 4 4 THR H H 1 8.135 0.001 . 1 . . . . . 4 THR H . 51537 2
44 . 1 . 1 4 4 THR HA H 1 4.432 0.002 . 1 . . . . . 4 THR HA . 51537 2
45 . 1 . 1 4 4 THR HB H 1 4.216 0.004 . 1 . . . . . 4 THR HB . 51537 2
46 . 1 . 1 4 4 THR HG21 H 1 1.198 0.002 . 1 . . . . . 4 THR QG2 . 51537 2
47 . 1 . 1 4 4 THR HG22 H 1 1.198 0.002 . 1 . . . . . 4 THR QG2 . 51537 2
48 . 1 . 1 4 4 THR HG23 H 1 1.198 0.002 . 1 . . . . . 4 THR QG2 . 51537 2
49 . 1 . 1 4 4 THR CA C 13 61.739 0.000 . 1 . . . . . 4 THR CA . 51537 2
50 . 1 . 1 4 4 THR CB C 13 69.804 0.000 . 1 . . . . . 4 THR CB . 51537 2
51 . 1 . 1 4 4 THR CG2 C 13 21.693 0.000 . 1 . . . . . 4 THR CG2 . 51537 2
52 . 1 . 1 5 5 VAL H H 1 8.101 0.002 . 1 . . . . . 5 VAL H . 51537 2
53 . 1 . 1 5 5 VAL HA H 1 4.122 0.003 . 1 . . . . . 5 VAL HA . 51537 2
54 . 1 . 1 5 5 VAL HB H 1 2.118 0.003 . 1 . . . . . 5 VAL HB . 51537 2
55 . 1 . 1 5 5 VAL HG11 H 1 0.942 0.000 . 2 . . . . . 5 VAL QG1 . 51537 2
56 . 1 . 1 5 5 VAL HG12 H 1 0.942 0.000 . 2 . . . . . 5 VAL QG1 . 51537 2
57 . 1 . 1 5 5 VAL HG13 H 1 0.942 0.000 . 2 . . . . . 5 VAL QG1 . 51537 2
58 . 1 . 1 5 5 VAL HG21 H 1 0.955 0.003 . 2 . . . . . 5 VAL QG2 . 51537 2
59 . 1 . 1 5 5 VAL HG22 H 1 0.955 0.003 . 2 . . . . . 5 VAL QG2 . 51537 2
60 . 1 . 1 5 5 VAL HG23 H 1 0.955 0.003 . 2 . . . . . 5 VAL QG2 . 51537 2
61 . 1 . 1 5 5 VAL CA C 13 62.726 0.000 . 1 . . . . . 5 VAL CA . 51537 2
62 . 1 . 1 5 5 VAL CB C 13 32.896 0.000 . 1 . . . . . 5 VAL CB . 51537 2
63 . 1 . 1 5 5 VAL CG1 C 13 20.911 0.000 . 1 . . . . . 5 VAL CG1 . 51537 2
64 . 1 . 1 5 5 VAL CG2 C 13 20.898 0.000 . 1 . . . . . 5 VAL CG2 . 51537 2
65 . 1 . 1 6 6 GLY H H 1 8.390 0.000 . 1 . . . . . 6 GLY H . 51537 2
66 . 1 . 1 6 6 GLY HA2 H 1 3.869 0.001 . 2 . . . . . 6 GLY HA2 . 51537 2
67 . 1 . 1 6 6 GLY HA3 H 1 4.003 0.003 . 2 . . . . . 6 GLY HA3 . 51537 2
68 . 1 . 1 6 6 GLY CA C 13 45.670 0.005 . 1 . . . . . 6 GLY CA . 51537 2
69 . 1 . 1 7 7 ILE H H 1 7.755 0.003 . 1 . . . . . 7 ILE H . 51537 2
70 . 1 . 1 7 7 ILE HA H 1 4.184 0.002 . 1 . . . . . 7 ILE HA . 51537 2
71 . 1 . 1 7 7 ILE HB H 1 1.873 0.002 . 1 . . . . . 7 ILE HB . 51537 2
72 . 1 . 1 7 7 ILE HG12 H 1 1.197 0.003 . 2 . . . . . 7 ILE HG12 . 51537 2
73 . 1 . 1 7 7 ILE HG13 H 1 1.476 0.008 . 2 . . . . . 7 ILE HG13 . 51537 2
74 . 1 . 1 7 7 ILE HG21 H 1 0.897 0.003 . 1 . . . . . 7 ILE QG2 . 51537 2
75 . 1 . 1 7 7 ILE HG22 H 1 0.897 0.003 . 1 . . . . . 7 ILE QG2 . 51537 2
76 . 1 . 1 7 7 ILE HG23 H 1 0.897 0.003 . 1 . . . . . 7 ILE QG2 . 51537 2
77 . 1 . 1 7 7 ILE HD11 H 1 0.879 0.000 . 1 . . . . . 7 ILE QD1 . 51537 2
78 . 1 . 1 7 7 ILE HD12 H 1 0.879 0.000 . 1 . . . . . 7 ILE QD1 . 51537 2
79 . 1 . 1 7 7 ILE HD13 H 1 0.879 0.000 . 1 . . . . . 7 ILE QD1 . 51537 2
80 . 1 . 1 7 7 ILE CA C 13 61.284 0.000 . 1 . . . . . 7 ILE CA . 51537 2
81 . 1 . 1 7 7 ILE CB C 13 39.124 0.000 . 1 . . . . . 7 ILE CB . 51537 2
82 . 1 . 1 7 7 ILE CG1 C 13 27.517 0.008 . 1 . . . . . 7 ILE CG1 . 51537 2
83 . 1 . 1 7 7 ILE CG2 C 13 17.792 0.000 . 1 . . . . . 7 ILE CG2 . 51537 2
84 . 1 . 1 7 7 ILE CD1 C 13 13.417 0.000 . 1 . . . . . 7 ILE CD1 . 51537 2
85 . 1 . 1 8 8 VAL H H 1 7.877 0.002 . 1 . . . . . 8 VAL H . 51537 2
86 . 1 . 1 8 8 VAL HA H 1 4.114 0.005 . 1 . . . . . 8 VAL HA . 51537 2
87 . 1 . 1 8 8 VAL HB H 1 2.077 0.005 . 1 . . . . . 8 VAL HB . 51537 2
88 . 1 . 1 8 8 VAL HG11 H 1 0.913 0.002 . 2 . . . . . 8 VAL QG1 . 51537 2
89 . 1 . 1 8 8 VAL HG12 H 1 0.913 0.002 . 2 . . . . . 8 VAL QG1 . 51537 2
90 . 1 . 1 8 8 VAL HG13 H 1 0.913 0.002 . 2 . . . . . 8 VAL QG1 . 51537 2
91 . 1 . 1 8 8 VAL HG21 H 1 0.941 0.004 . 2 . . . . . 8 VAL QG2 . 51537 2
92 . 1 . 1 8 8 VAL HG22 H 1 0.941 0.004 . 2 . . . . . 8 VAL QG2 . 51537 2
93 . 1 . 1 8 8 VAL HG23 H 1 0.941 0.004 . 2 . . . . . 8 VAL QG2 . 51537 2
94 . 1 . 1 8 8 VAL CA C 13 62.402 0.000 . 1 . . . . . 8 VAL CA . 51537 2
95 . 1 . 1 8 8 VAL CB C 13 32.910 0.000 . 1 . . . . . 8 VAL CB . 51537 2
96 . 1 . 1 8 8 VAL CG1 C 13 21.374 0.000 . 1 . . . . . 8 VAL CG1 . 51537 2
97 . 1 . 1 8 8 VAL CG2 C 13 21.486 0.000 . 1 . . . . . 8 VAL CG2 . 51537 2
98 . 1 . 1 9 9 MET H H 1 8.422 0.001 . 1 . . . . . 9 MET H . 51537 2
99 . 1 . 1 9 9 MET HA H 1 4.688 0.013 . 1 . . . . . 9 MET HA . 51537 2
100 . 1 . 1 9 9 MET HB2 H 1 2.014 0.003 . 2 . . . . . 9 MET HB2 . 51537 2
101 . 1 . 1 9 9 MET HB3 H 1 2.079 0.003 . 2 . . . . . 9 MET HB3 . 51537 2
102 . 1 . 1 9 9 MET HG2 H 1 2.560 0.003 . 2 . . . . . 9 MET HG2 . 51537 2
103 . 1 . 1 9 9 MET HG3 H 1 2.610 0.002 . 2 . . . . . 9 MET HG3 . 51537 2
104 . 1 . 1 9 9 MET HE1 H 1 2.060 0.000 . 1 . . . . . 9 MET HE# . 51537 2
105 . 1 . 1 9 9 MET HE2 H 1 2.060 0.000 . 1 . . . . . 9 MET HE# . 51537 2
106 . 1 . 1 9 9 MET HE3 H 1 2.060 0.000 . 1 . . . . . 9 MET HE# . 51537 2
107 . 1 . 1 9 9 MET CB C 13 32.376 0.021 . 1 . . . . . 9 MET CB . 51537 2
108 . 1 . 1 9 9 MET CG C 13 32.517 0.002 . 1 . . . . . 9 MET CG . 51537 2
109 . 1 . 1 9 9 MET CE C 13 17.426 0.000 . 1 . . . . . 9 MET CE . 51537 2
110 . 1 . 1 10 10 PRO HA H 1 4.467 0.003 . 1 . . . . . 10 PRO HA . 51537 2
111 . 1 . 1 10 10 PRO HB2 H 1 1.965 0.003 . 2 . . . . . 10 PRO HB2 . 51537 2
112 . 1 . 1 10 10 PRO HB3 H 1 2.262 0.002 . 2 . . . . . 10 PRO HB3 . 51537 2
113 . 1 . 1 10 10 PRO HG2 H 1 1.960 0.000 . 2 . . . . . 10 PRO HG2 . 51537 2
114 . 1 . 1 10 10 PRO HG3 H 1 2.076 0.003 . 2 . . . . . 10 PRO HG3 . 51537 2
115 . 1 . 1 10 10 PRO HD2 H 1 3.692 0.002 . 2 . . . . . 10 PRO HD2 . 51537 2
116 . 1 . 1 10 10 PRO HD3 H 1 3.894 0.002 . 2 . . . . . 10 PRO HD3 . 51537 2
117 . 1 . 1 10 10 PRO CA C 13 63.820 0.000 . 1 . . . . . 10 PRO CA . 51537 2
118 . 1 . 1 10 10 PRO CB C 13 31.632 0.004 . 1 . . . . . 10 PRO CB . 51537 2
119 . 1 . 1 10 10 PRO CG C 13 27.811 0.005 . 1 . . . . . 10 PRO CG . 51537 2
120 . 1 . 1 10 10 PRO CD C 13 50.623 0.009 . 1 . . . . . 10 PRO CD . 51537 2
121 . 1 . 1 11 11 LYS H H 1 8.344 0.000 . 1 . . . . . 11 LYS H . 51537 2
122 . 1 . 1 11 11 LYS HA H 1 4.026 0.005 . 1 . . . . . 11 LYS HA . 51537 2
123 . 1 . 1 11 11 LYS HB2 H 1 1.828 0.001 . 2 . . . . . 11 LYS HB2 . 51537 2
124 . 1 . 1 11 11 LYS HB3 H 1 1.828 0.001 . 2 . . . . . 11 LYS HB3 . 51537 2
125 . 1 . 1 11 11 LYS HG2 H 1 1.418 0.002 . 2 . . . . . 11 LYS HG2 . 51537 2
126 . 1 . 1 11 11 LYS HG3 H 1 1.542 0.002 . 2 . . . . . 11 LYS HG3 . 51537 2
127 . 1 . 1 11 11 LYS HD2 H 1 1.712 0.002 . 2 . . . . . 11 LYS HD2 . 51537 2
128 . 1 . 1 11 11 LYS HD3 H 1 1.712 0.002 . 2 . . . . . 11 LYS HD3 . 51537 2
129 . 1 . 1 11 11 LYS HE2 H 1 2.976 0.002 . 2 . . . . . 11 LYS HE2 . 51537 2
130 . 1 . 1 11 11 LYS HE3 H 1 2.976 0.002 . 2 . . . . . 11 LYS HE3 . 51537 2
131 . 1 . 1 11 11 LYS HZ1 H 1 7.634 0.000 . 1 . . . . . 11 LYS HZ1 . 51537 2
132 . 1 . 1 11 11 LYS HZ2 H 1 7.634 0.000 . 1 . . . . . 11 LYS HZ2 . 51537 2
133 . 1 . 1 11 11 LYS HZ3 H 1 7.634 0.000 . 1 . . . . . 11 LYS HZ3 . 51537 2
134 . 1 . 1 11 11 LYS CA C 13 58.928 0.000 . 1 . . . . . 11 LYS CA . 51537 2
135 . 1 . 1 11 11 LYS CB C 13 32.966 0.000 . 1 . . . . . 11 LYS CB . 51537 2
136 . 1 . 1 11 11 LYS CG C 13 25.427 0.011 . 1 . . . . . 11 LYS CG . 51537 2
137 . 1 . 1 11 11 LYS CD C 13 29.271 0.000 . 1 . . . . . 11 LYS CD . 51537 2
138 . 1 . 1 11 11 LYS CE C 13 42.138 0.000 . 1 . . . . . 11 LYS CE . 51537 2
139 . 1 . 1 12 12 LYS H H 1 8.281 0.000 . 1 . . . . . 12 LYS H . 51537 2
140 . 1 . 1 12 12 LYS HA H 1 4.093 0.002 . 1 . . . . . 12 LYS HA . 51537 2
141 . 1 . 1 12 12 LYS HB2 H 1 1.753 0.006 . 2 . . . . . 12 LYS HB2 . 51537 2
142 . 1 . 1 12 12 LYS HB3 H 1 1.823 0.005 . 2 . . . . . 12 LYS HB3 . 51537 2
143 . 1 . 1 12 12 LYS HG2 H 1 1.270 0.002 . 2 . . . . . 12 LYS HG2 . 51537 2
144 . 1 . 1 12 12 LYS HG3 H 1 1.349 0.003 . 2 . . . . . 12 LYS HG3 . 51537 2
145 . 1 . 1 12 12 LYS HD2 H 1 1.641 0.001 . 2 . . . . . 12 LYS HD2 . 51537 2
146 . 1 . 1 12 12 LYS HD3 H 1 1.641 0.001 . 2 . . . . . 12 LYS HD3 . 51537 2
147 . 1 . 1 12 12 LYS HE2 H 1 2.907 0.004 . 2 . . . . . 12 LYS HE2 . 51537 2
148 . 1 . 1 12 12 LYS HE3 H 1 2.907 0.004 . 2 . . . . . 12 LYS HE3 . 51537 2
149 . 1 . 1 12 12 LYS HZ1 H 1 7.589 0.000 . 1 . . . . . 12 LYS HZ1 . 51537 2
150 . 1 . 1 12 12 LYS HZ2 H 1 7.589 0.000 . 1 . . . . . 12 LYS HZ2 . 51537 2
151 . 1 . 1 12 12 LYS HZ3 H 1 7.589 0.000 . 1 . . . . . 12 LYS HZ3 . 51537 2
152 . 1 . 1 12 12 LYS CA C 13 58.310 0.000 . 1 . . . . . 12 LYS CA . 51537 2
153 . 1 . 1 12 12 LYS CB C 13 32.568 0.002 . 1 . . . . . 12 LYS CB . 51537 2
154 . 1 . 1 12 12 LYS CG C 13 25.050 0.003 . 1 . . . . . 12 LYS CG . 51537 2
155 . 1 . 1 12 12 LYS CD C 13 29.309 0.000 . 1 . . . . . 12 LYS CD . 51537 2
156 . 1 . 1 12 12 LYS CE C 13 42.050 0.000 . 1 . . . . . 12 LYS CE . 51537 2
157 . 1 . 1 13 13 PHE H H 1 7.926 0.002 . 1 . . . . . 13 PHE H . 51537 2
158 . 1 . 1 13 13 PHE HA H 1 4.451 0.004 . 1 . . . . . 13 PHE HA . 51537 2
159 . 1 . 1 13 13 PHE HB2 H 1 3.136 0.002 . 2 . . . . . 13 PHE HB2 . 51537 2
160 . 1 . 1 13 13 PHE HB3 H 1 3.136 0.002 . 2 . . . . . 13 PHE HB3 . 51537 2
161 . 1 . 1 13 13 PHE HD1 H 1 7.196 0.002 . 1 . . . . . 13 PHE HD1 . 51537 2
162 . 1 . 1 13 13 PHE HD2 H 1 7.196 0.002 . 1 . . . . . 13 PHE HD2 . 51537 2
163 . 1 . 1 13 13 PHE HE1 H 1 7.294 0.002 . 1 . . . . . 13 PHE HE1 . 51537 2
164 . 1 . 1 13 13 PHE HE2 H 1 7.294 0.002 . 1 . . . . . 13 PHE HE2 . 51537 2
165 . 1 . 1 13 13 PHE HZ H 1 7.246 0.002 . 1 . . . . . 13 PHE HZ . 51537 2
166 . 1 . 1 13 13 PHE CA C 13 59.402 0.000 . 1 . . . . . 13 PHE CA . 51537 2
167 . 1 . 1 13 13 PHE CB C 13 39.618 0.000 . 1 . . . . . 13 PHE CB . 51537 2
168 . 1 . 1 13 13 PHE CD1 C 13 131.561 0.000 . 1 . . . . . 13 PHE CD1 . 51537 2
169 . 1 . 1 13 13 PHE CD2 C 13 131.561 0.000 . 1 . . . . . 13 PHE CD2 . 51537 2
170 . 1 . 1 13 13 PHE CE1 C 13 131.305 0.000 . 1 . . . . . 13 PHE CE1 . 51537 2
171 . 1 . 1 13 13 PHE CE2 C 13 131.305 0.000 . 1 . . . . . 13 PHE CE2 . 51537 2
172 . 1 . 1 13 13 PHE CZ C 13 129.767 0.000 . 1 . . . . . 13 PHE CZ . 51537 2
173 . 1 . 1 14 14 ILE H H 1 7.917 0.001 . 1 . . . . . 14 ILE H . 51537 2
174 . 1 . 1 14 14 ILE HA H 1 3.781 0.002 . 1 . . . . . 14 ILE HA . 51537 2
175 . 1 . 1 14 14 ILE HB H 1 1.902 0.002 . 1 . . . . . 14 ILE HB . 51537 2
176 . 1 . 1 14 14 ILE HG12 H 1 1.219 0.003 . 2 . . . . . 14 ILE HG12 . 51537 2
177 . 1 . 1 14 14 ILE HG13 H 1 1.603 0.002 . 2 . . . . . 14 ILE HG13 . 51537 2
178 . 1 . 1 14 14 ILE HG21 H 1 0.907 0.001 . 1 . . . . . 14 ILE QG2 . 51537 2
179 . 1 . 1 14 14 ILE HG22 H 1 0.907 0.001 . 1 . . . . . 14 ILE QG2 . 51537 2
180 . 1 . 1 14 14 ILE HG23 H 1 0.907 0.001 . 1 . . . . . 14 ILE QG2 . 51537 2
181 . 1 . 1 14 14 ILE HD11 H 1 0.856 0.006 . 1 . . . . . 14 ILE QD1 . 51537 2
182 . 1 . 1 14 14 ILE HD12 H 1 0.856 0.006 . 1 . . . . . 14 ILE QD1 . 51537 2
183 . 1 . 1 14 14 ILE HD13 H 1 0.856 0.006 . 1 . . . . . 14 ILE QD1 . 51537 2
184 . 1 . 1 14 14 ILE CA C 13 63.154 0.000 . 1 . . . . . 14 ILE CA . 51537 2
185 . 1 . 1 14 14 ILE CB C 13 38.009 0.000 . 1 . . . . . 14 ILE CB . 51537 2
186 . 1 . 1 14 14 ILE CG1 C 13 28.453 0.002 . 1 . . . . . 14 ILE CG1 . 51537 2
187 . 1 . 1 14 14 ILE CG2 C 13 17.723 0.000 . 1 . . . . . 14 ILE CG2 . 51537 2
188 . 1 . 1 14 14 ILE CD1 C 13 12.886 0.000 . 1 . . . . . 14 ILE CD1 . 51537 2
189 . 1 . 1 15 15 LYS H H 1 7.966 0.001 . 1 . . . . . 15 LYS H . 51537 2
190 . 1 . 1 15 15 LYS HA H 1 4.040 0.003 . 1 . . . . . 15 LYS HA . 51537 2
191 . 1 . 1 15 15 LYS HB2 H 1 1.817 0.001 . 2 . . . . . 15 LYS HB2 . 51537 2
192 . 1 . 1 15 15 LYS HB3 H 1 1.817 0.001 . 2 . . . . . 15 LYS HB3 . 51537 2
193 . 1 . 1 15 15 LYS HG2 H 1 1.427 0.015 . 2 . . . . . 15 LYS HG2 . 51537 2
194 . 1 . 1 15 15 LYS HG3 H 1 1.525 0.004 . 2 . . . . . 15 LYS HG3 . 51537 2
195 . 1 . 1 15 15 LYS HD2 H 1 1.679 0.004 . 2 . . . . . 15 LYS HD2 . 51537 2
196 . 1 . 1 15 15 LYS HD3 H 1 1.679 0.004 . 2 . . . . . 15 LYS HD3 . 51537 2
197 . 1 . 1 15 15 LYS HE2 H 1 2.977 0.004 . 2 . . . . . 15 LYS HE2 . 51537 2
198 . 1 . 1 15 15 LYS HE3 H 1 2.977 0.004 . 2 . . . . . 15 LYS HE3 . 51537 2
199 . 1 . 1 15 15 LYS HZ1 H 1 7.631 0.002 . 1 . . . . . 15 LYS HZ1 . 51537 2
200 . 1 . 1 15 15 LYS HZ2 H 1 7.631 0.002 . 1 . . . . . 15 LYS HZ2 . 51537 2
201 . 1 . 1 15 15 LYS HZ3 H 1 7.631 0.002 . 1 . . . . . 15 LYS HZ3 . 51537 2
202 . 1 . 1 15 15 LYS CA C 13 58.437 0.000 . 1 . . . . . 15 LYS CA . 51537 2
203 . 1 . 1 15 15 LYS CB C 13 32.648 0.000 . 1 . . . . . 15 LYS CB . 51537 2
204 . 1 . 1 15 15 LYS CG C 13 25.212 0.032 . 1 . . . . . 15 LYS CG . 51537 2
205 . 1 . 1 15 15 LYS CD C 13 29.285 0.000 . 1 . . . . . 15 LYS CD . 51537 2
206 . 1 . 1 15 15 LYS CE C 13 42.137 0.000 . 1 . . . . . 15 LYS CE . 51537 2
207 . 1 . 1 16 16 LYS H H 1 7.738 0.004 . 1 . . . . . 16 LYS H . 51537 2
208 . 1 . 1 16 16 LYS HA H 1 4.148 0.001 . 1 . . . . . 16 LYS HA . 51537 2
209 . 1 . 1 16 16 LYS HB2 H 1 1.841 0.004 . 2 . . . . . 16 LYS HB2 . 51537 2
210 . 1 . 1 16 16 LYS HB3 H 1 1.841 0.004 . 2 . . . . . 16 LYS HB3 . 51537 2
211 . 1 . 1 16 16 LYS HG2 H 1 1.418 0.006 . 2 . . . . . 16 LYS HG2 . 51537 2
212 . 1 . 1 16 16 LYS HG3 H 1 1.510 0.003 . 2 . . . . . 16 LYS HG3 . 51537 2
213 . 1 . 1 16 16 LYS HD2 H 1 1.679 0.001 . 2 . . . . . 16 LYS HD2 . 51537 2
214 . 1 . 1 16 16 LYS HD3 H 1 1.679 0.001 . 2 . . . . . 16 LYS HD3 . 51537 2
215 . 1 . 1 16 16 LYS HE2 H 1 2.941 0.001 . 2 . . . . . 16 LYS HE2 . 51537 2
216 . 1 . 1 16 16 LYS HE3 H 1 2.941 0.001 . 2 . . . . . 16 LYS HE3 . 51537 2
217 . 1 . 1 16 16 LYS HZ1 H 1 7.679 0.000 . 1 . . . . . 16 LYS HZ1 . 51537 2
218 . 1 . 1 16 16 LYS HZ2 H 1 7.679 0.000 . 1 . . . . . 16 LYS HZ2 . 51537 2
219 . 1 . 1 16 16 LYS HZ3 H 1 7.679 0.000 . 1 . . . . . 16 LYS HZ3 . 51537 2
220 . 1 . 1 16 16 LYS CA C 13 57.638 0.000 . 1 . . . . . 16 LYS CA . 51537 2
221 . 1 . 1 16 16 LYS CB C 13 32.967 0.000 . 1 . . . . . 16 LYS CB . 51537 2
222 . 1 . 1 16 16 LYS CG C 13 25.126 0.013 . 1 . . . . . 16 LYS CG . 51537 2
223 . 1 . 1 16 16 LYS CD C 13 29.283 0.000 . 1 . . . . . 16 LYS CD . 51537 2
224 . 1 . 1 16 16 LYS CE C 13 42.044 0.000 . 1 . . . . . 16 LYS CE . 51537 2
225 . 1 . 1 17 17 LEU H H 1 7.868 0.003 . 1 . . . . . 17 LEU H . 51537 2
226 . 1 . 1 17 17 LEU HA H 1 4.148 0.002 . 1 . . . . . 17 LEU HA . 51537 2
227 . 1 . 1 17 17 LEU HB2 H 1 1.533 0.004 . 2 . . . . . 17 LEU HB2 . 51537 2
228 . 1 . 1 17 17 LEU HB3 H 1 1.666 0.006 . 2 . . . . . 17 LEU HB3 . 51537 2
229 . 1 . 1 17 17 LEU HG H 1 1.619 0.005 . 1 . . . . . 17 LEU HG . 51537 2
230 . 1 . 1 17 17 LEU HD11 H 1 0.806 0.004 . 2 . . . . . 17 LEU QD1 . 51537 2
231 . 1 . 1 17 17 LEU HD12 H 1 0.806 0.004 . 2 . . . . . 17 LEU QD1 . 51537 2
232 . 1 . 1 17 17 LEU HD13 H 1 0.806 0.004 . 2 . . . . . 17 LEU QD1 . 51537 2
233 . 1 . 1 17 17 LEU HD21 H 1 0.841 0.004 . 2 . . . . . 17 LEU QD2 . 51537 2
234 . 1 . 1 17 17 LEU HD22 H 1 0.841 0.004 . 2 . . . . . 17 LEU QD2 . 51537 2
235 . 1 . 1 17 17 LEU HD23 H 1 0.841 0.004 . 2 . . . . . 17 LEU QD2 . 51537 2
236 . 1 . 1 17 17 LEU CA C 13 56.187 0.000 . 1 . . . . . 17 LEU CA . 51537 2
237 . 1 . 1 17 17 LEU CB C 13 42.404 0.005 . 1 . . . . . 17 LEU CB . 51537 2
238 . 1 . 1 17 17 LEU CG C 13 26.891 0.000 . 1 . . . . . 17 LEU CG . 51537 2
239 . 1 . 1 17 17 LEU CD1 C 13 23.692 0.000 . 1 . . . . . 17 LEU CD1 . 51537 2
240 . 1 . 1 17 17 LEU CD2 C 13 25.234 0.000 . 1 . . . . . 17 LEU CD2 . 51537 2
241 . 1 . 1 18 18 ARG H H 1 8.010 0.002 . 1 . . . . . 18 ARG H . 51537 2
242 . 1 . 1 18 18 ARG HA H 1 4.208 0.003 . 1 . . . . . 18 ARG HA . 51537 2
243 . 1 . 1 18 18 ARG HB2 H 1 1.768 0.002 . 2 . . . . . 18 ARG HB2 . 51537 2
244 . 1 . 1 18 18 ARG HB3 H 1 1.894 0.003 . 2 . . . . . 18 ARG HB3 . 51537 2
245 . 1 . 1 18 18 ARG HG2 H 1 1.622 0.004 . 2 . . . . . 18 ARG HG2 . 51537 2
246 . 1 . 1 18 18 ARG HG3 H 1 1.747 0.003 . 2 . . . . . 18 ARG HG3 . 51537 2
247 . 1 . 1 18 18 ARG HD2 H 1 3.154 0.003 . 2 . . . . . 18 ARG HD2 . 51537 2
248 . 1 . 1 18 18 ARG HD3 H 1 3.154 0.003 . 2 . . . . . 18 ARG HD3 . 51537 2
249 . 1 . 1 18 18 ARG HE H 1 7.390 0.001 . 1 . . . . . 18 ARG HE . 51537 2
250 . 1 . 1 18 18 ARG CA C 13 56.853 0.000 . 1 . . . . . 18 ARG CA . 51537 2
251 . 1 . 1 18 18 ARG CB C 13 30.729 0.003 . 1 . . . . . 18 ARG CB . 51537 2
252 . 1 . 1 18 18 ARG CG C 13 27.473 0.000 . 1 . . . . . 18 ARG CG . 51537 2
253 . 1 . 1 18 18 ARG CD C 13 43.541 0.000 . 1 . . . . . 18 ARG CD . 51537 2
254 . 1 . 1 19 19 LYS H H 1 7.966 0.001 . 1 . . . . . 19 LYS H . 51537 2
255 . 1 . 1 19 19 LYS HA H 1 4.226 0.004 . 1 . . . . . 19 LYS HA . 51537 2
256 . 1 . 1 19 19 LYS HB2 H 1 1.841 0.001 . 2 . . . . . 19 LYS HB2 . 51537 2
257 . 1 . 1 19 19 LYS HB3 H 1 1.841 0.001 . 2 . . . . . 19 LYS HB3 . 51537 2
258 . 1 . 1 19 19 LYS HG2 H 1 1.447 0.004 . 2 . . . . . 19 LYS HG2 . 51537 2
259 . 1 . 1 19 19 LYS HG3 H 1 1.447 0.004 . 2 . . . . . 19 LYS HG3 . 51537 2
260 . 1 . 1 19 19 LYS HD2 H 1 1.685 0.001 . 2 . . . . . 19 LYS HD2 . 51537 2
261 . 1 . 1 19 19 LYS HD3 H 1 1.685 0.001 . 2 . . . . . 19 LYS HD3 . 51537 2
262 . 1 . 1 19 19 LYS HE2 H 1 2.972 0.005 . 2 . . . . . 19 LYS HE2 . 51537 2
263 . 1 . 1 19 19 LYS HE3 H 1 2.972 0.005 . 2 . . . . . 19 LYS HE3 . 51537 2
264 . 1 . 1 19 19 LYS HZ1 H 1 7.570 0.002 . 1 . . . . . 19 LYS HZ1 . 51537 2
265 . 1 . 1 19 19 LYS HZ2 H 1 7.570 0.002 . 1 . . . . . 19 LYS HZ2 . 51537 2
266 . 1 . 1 19 19 LYS HZ3 H 1 7.570 0.002 . 1 . . . . . 19 LYS HZ3 . 51537 2
267 . 1 . 1 19 19 LYS CA C 13 56.818 0.000 . 1 . . . . . 19 LYS CA . 51537 2
268 . 1 . 1 19 19 LYS CB C 13 32.661 0.000 . 1 . . . . . 19 LYS CB . 51537 2
269 . 1 . 1 19 19 LYS CG C 13 24.845 0.000 . 1 . . . . . 19 LYS CG . 51537 2
270 . 1 . 1 19 19 LYS CD C 13 29.105 0.000 . 1 . . . . . 19 LYS CD . 51537 2
271 . 1 . 1 19 19 LYS CE C 13 42.131 0.000 . 1 . . . . . 19 LYS CE . 51537 2
272 . 1 . 1 20 20 LYS H H 1 8.112 0.002 . 1 . . . . . 20 LYS H . 51537 2
273 . 1 . 1 20 20 LYS HA H 1 4.220 0.006 . 1 . . . . . 20 LYS HA . 51537 2
274 . 1 . 1 20 20 LYS HB2 H 1 1.833 0.003 . 2 . . . . . 20 LYS HB2 . 51537 2
275 . 1 . 1 20 20 LYS HB3 H 1 1.833 0.003 . 2 . . . . . 20 LYS HB3 . 51537 2
276 . 1 . 1 20 20 LYS HG2 H 1 1.472 0.004 . 2 . . . . . 20 LYS HG2 . 51537 2
277 . 1 . 1 20 20 LYS HG3 H 1 1.472 0.004 . 2 . . . . . 20 LYS HG3 . 51537 2
278 . 1 . 1 20 20 LYS HD2 H 1 1.680 0.002 . 2 . . . . . 20 LYS HD2 . 51537 2
279 . 1 . 1 20 20 LYS HD3 H 1 1.680 0.002 . 2 . . . . . 20 LYS HD3 . 51537 2
280 . 1 . 1 20 20 LYS HE2 H 1 2.987 0.005 . 2 . . . . . 20 LYS HE2 . 51537 2
281 . 1 . 1 20 20 LYS HE3 H 1 2.987 0.005 . 2 . . . . . 20 LYS HE3 . 51537 2
282 . 1 . 1 20 20 LYS HZ1 H 1 7.534 0.000 . 1 . . . . . 20 LYS HZ1 . 51537 2
283 . 1 . 1 20 20 LYS HZ2 H 1 7.534 0.000 . 1 . . . . . 20 LYS HZ2 . 51537 2
284 . 1 . 1 20 20 LYS HZ3 H 1 7.534 0.000 . 1 . . . . . 20 LYS HZ3 . 51537 2
285 . 1 . 1 20 20 LYS CA C 13 56.452 0.000 . 1 . . . . . 20 LYS CA . 51537 2
286 . 1 . 1 20 20 LYS CB C 13 32.974 0.000 . 1 . . . . . 20 LYS CB . 51537 2
287 . 1 . 1 20 20 LYS CG C 13 24.859 0.000 . 1 . . . . . 20 LYS CG . 51537 2
288 . 1 . 1 20 20 LYS CD C 13 29.124 0.000 . 1 . . . . . 20 LYS CD . 51537 2
289 . 1 . 1 20 20 LYS CE C 13 42.131 0.000 . 1 . . . . . 20 LYS CE . 51537 2
290 . 1 . 1 21 21 NH2 HN1 H 1 7.059 0.001 . 2 . . . . . 21 NH2 HN1 . 51537 2
291 . 1 . 1 21 21 NH2 HN2 H 1 7.479 0.001 . 2 . . . . . 21 NH2 HN2 . 51537 2
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