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 51537
_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 'Chemical shifts at 298K'
_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 DQF-COSY' . . . 51537 1
2 '2D 1H-1H TOCSY' . . . 51537 1
3 '2D 1H-1H NOESY' . . . 51537 1
4 '2D 1H-13C HSQC aliphatic' . . . 51537 1
5 '2D 1H-13C HSQC aromatic' . . . 51537 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 $software_1 . . 51537 1
2 $software_2 . . 51537 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 PHE HA H 1 4.506 0.002 . 1 . . . . . 1 PHE HA . 51537 1
2 . 1 . 1 1 1 PHE HB2 H 1 3.263 0.002 . 2 . . . . . 1 PHE HB2 . 51537 1
3 . 1 . 1 1 1 PHE HB3 H 1 3.263 0.002 . 2 . . . . . 1 PHE HB3 . 51537 1
4 . 1 . 1 1 1 PHE HD1 H 1 7.476 0.002 . 1 . . . . . 1 PHE HD1 . 51537 1
5 . 1 . 1 1 1 PHE HD2 H 1 7.476 0.002 . 1 . . . . . 1 PHE HD2 . 51537 1
6 . 1 . 1 1 1 PHE HE1 H 1 7.343 0.002 . 1 . . . . . 1 PHE HE1 . 51537 1
7 . 1 . 1 1 1 PHE HE2 H 1 7.343 0.002 . 1 . . . . . 1 PHE HE2 . 51537 1
8 . 1 . 1 1 1 PHE HZ H 1 7.264 0.003 . 1 . . . . . 1 PHE HZ . 51537 1
9 . 1 . 1 1 1 PHE CA C 13 56.076 0.000 . 1 . . . . . 1 PHE CA . 51537 1
10 . 1 . 1 1 1 PHE CB C 13 39.238 0.000 . 1 . . . . . 1 PHE CB . 51537 1
11 . 1 . 1 1 1 PHE CD1 C 13 132.667 0.000 . 1 . . . . . 1 PHE CD1 . 51537 1
12 . 1 . 1 1 1 PHE CD2 C 13 132.667 0.000 . 1 . . . . . 1 PHE CD2 . 51537 1
13 . 1 . 1 1 1 PHE CE1 C 13 131.650 0.000 . 1 . . . . . 1 PHE CE1 . 51537 1
14 . 1 . 1 1 1 PHE CE2 C 13 131.650 0.000 . 1 . . . . . 1 PHE CE2 . 51537 1
15 . 1 . 1 1 1 PHE CZ C 13 130.223 0.000 . 1 . . . . . 1 PHE CZ . 51537 1
16 . 1 . 1 2 2 PRO HA H 1 4.514 0.004 . 1 . . . . . 2 PRO HA . 51537 1
17 . 1 . 1 2 2 PRO HB2 H 1 1.844 0.004 . 2 . . . . . 2 PRO HB2 . 51537 1
18 . 1 . 1 2 2 PRO HB3 H 1 2.270 0.004 . 2 . . . . . 2 PRO HB3 . 51537 1
19 . 1 . 1 2 2 PRO HG2 H 1 1.736 0.003 . 2 . . . . . 2 PRO HG2 . 51537 1
20 . 1 . 1 2 2 PRO HG3 H 1 1.906 0.002 . 2 . . . . . 2 PRO HG3 . 51537 1
21 . 1 . 1 2 2 PRO HD2 H 1 2.756 0.008 . 2 . . . . . 2 PRO HD2 . 51537 1
22 . 1 . 1 2 2 PRO HD3 H 1 3.599 0.003 . 2 . . . . . 2 PRO HD3 . 51537 1
23 . 1 . 1 2 2 PRO CA C 13 63.817 0.000 . 1 . . . . . 2 PRO CA . 51537 1
24 . 1 . 1 2 2 PRO CB C 13 32.003 0.008 . 1 . . . . . 2 PRO CB . 51537 1
25 . 1 . 1 2 2 PRO CG C 13 27.458 0.013 . 1 . . . . . 2 PRO CG . 51537 1
26 . 1 . 1 2 2 PRO CD C 13 50.438 0.016 . 1 . . . . . 2 PRO CD . 51537 1
27 . 1 . 1 3 3 ILE H H 1 7.757 0.005 . 1 . . . . . 3 ILE H . 51537 1
28 . 1 . 1 3 3 ILE HA H 1 4.361 0.002 . 1 . . . . . 3 ILE HA . 51537 1
29 . 1 . 1 3 3 ILE HB H 1 1.907 0.005 . 1 . . . . . 3 ILE HB . 51537 1
30 . 1 . 1 3 3 ILE HG12 H 1 1.177 0.006 . 2 . . . . . 3 ILE HG12 . 51537 1
31 . 1 . 1 3 3 ILE HG13 H 1 1.517 0.001 . 2 . . . . . 3 ILE HG13 . 51537 1
32 . 1 . 1 3 3 ILE HG21 H 1 0.949 0.004 . 1 . . . . . 3 ILE QG2 . 51537 1
33 . 1 . 1 3 3 ILE HG22 H 1 0.949 0.004 . 1 . . . . . 3 ILE QG2 . 51537 1
34 . 1 . 1 3 3 ILE HG23 H 1 0.949 0.004 . 1 . . . . . 3 ILE QG2 . 51537 1
35 . 1 . 1 3 3 ILE HD11 H 1 0.889 0.005 . 1 . . . . . 3 ILE QD1 . 51537 1
36 . 1 . 1 3 3 ILE HD12 H 1 0.889 0.005 . 1 . . . . . 3 ILE QD1 . 51537 1
37 . 1 . 1 3 3 ILE HD13 H 1 0.889 0.005 . 1 . . . . . 3 ILE QD1 . 51537 1
38 . 1 . 1 3 3 ILE CA C 13 60.755 0.000 . 1 . . . . . 3 ILE CA . 51537 1
39 . 1 . 1 3 3 ILE CB C 13 39.718 0.000 . 1 . . . . . 3 ILE CB . 51537 1
40 . 1 . 1 3 3 ILE CG1 C 13 27.459 0.007 . 1 . . . . . 3 ILE CG1 . 51537 1
41 . 1 . 1 3 3 ILE CG2 C 13 17.913 0.000 . 1 . . . . . 3 ILE CG2 . 51537 1
42 . 1 . 1 3 3 ILE CD1 C 13 13.420 0.000 . 1 . . . . . 3 ILE CD1 . 51537 1
43 . 1 . 1 4 4 THR H H 1 8.210 0.001 . 1 . . . . . 4 THR H . 51537 1
44 . 1 . 1 4 4 THR HA H 1 4.430 0.002 . 1 . . . . . 4 THR HA . 51537 1
45 . 1 . 1 4 4 THR HB H 1 4.211 0.002 . 1 . . . . . 4 THR HB . 51537 1
46 . 1 . 1 4 4 THR HG21 H 1 1.194 0.002 . 1 . . . . . 4 THR QG2 . 51537 1
47 . 1 . 1 4 4 THR HG22 H 1 1.194 0.002 . 1 . . . . . 4 THR QG2 . 51537 1
48 . 1 . 1 4 4 THR HG23 H 1 1.194 0.002 . 1 . . . . . 4 THR QG2 . 51537 1
49 . 1 . 1 4 4 THR CA C 13 61.726 0.000 . 1 . . . . . 4 THR CA . 51537 1
50 . 1 . 1 4 4 THR CB C 13 69.810 0.000 . 1 . . . . . 4 THR CB . 51537 1
51 . 1 . 1 4 4 THR CG2 C 13 21.665 0.000 . 1 . . . . . 4 THR CG2 . 51537 1
52 . 1 . 1 5 5 VAL H H 1 8.167 0.001 . 1 . . . . . 5 VAL H . 51537 1
53 . 1 . 1 5 5 VAL HA H 1 4.119 0.002 . 1 . . . . . 5 VAL HA . 51537 1
54 . 1 . 1 5 5 VAL HB H 1 2.114 0.007 . 1 . . . . . 5 VAL HB . 51537 1
55 . 1 . 1 5 5 VAL HG11 H 1 0.942 0.000 . 2 . . . . . 5 VAL QG1 . 51537 1
56 . 1 . 1 5 5 VAL HG12 H 1 0.942 0.000 . 2 . . . . . 5 VAL QG1 . 51537 1
57 . 1 . 1 5 5 VAL HG13 H 1 0.942 0.000 . 2 . . . . . 5 VAL QG1 . 51537 1
58 . 1 . 1 5 5 VAL HG21 H 1 0.953 0.003 . 2 . . . . . 5 VAL QG2 . 51537 1
59 . 1 . 1 5 5 VAL HG22 H 1 0.953 0.003 . 2 . . . . . 5 VAL QG2 . 51537 1
60 . 1 . 1 5 5 VAL HG23 H 1 0.953 0.003 . 2 . . . . . 5 VAL QG2 . 51537 1
61 . 1 . 1 5 5 VAL CA C 13 62.700 0.000 . 1 . . . . . 5 VAL CA . 51537 1
62 . 1 . 1 5 5 VAL CB C 13 32.896 0.000 . 1 . . . . . 5 VAL CB . 51537 1
63 . 1 . 1 5 5 VAL CG1 C 13 20.911 0.000 . 1 . . . . . 5 VAL CG1 . 51537 1
64 . 1 . 1 5 5 VAL CG2 C 13 20.898 0.000 . 1 . . . . . 5 VAL CG2 . 51537 1
65 . 1 . 1 6 6 GLY H H 1 8.444 0.001 . 1 . . . . . 6 GLY H . 51537 1
66 . 1 . 1 6 6 GLY HA2 H 1 3.870 0.004 . 2 . . . . . 6 GLY HA2 . 51537 1
67 . 1 . 1 6 6 GLY HA3 H 1 3.998 0.005 . 2 . . . . . 6 GLY HA3 . 51537 1
68 . 1 . 1 6 6 GLY CA C 13 45.572 0.001 . 1 . . . . . 6 GLY CA . 51537 1
69 . 1 . 1 7 7 ILE H H 1 7.819 0.002 . 1 . . . . . 7 ILE H . 51537 1
70 . 1 . 1 7 7 ILE HA H 1 4.182 0.003 . 1 . . . . . 7 ILE HA . 51537 1
71 . 1 . 1 7 7 ILE HB H 1 1.867 0.001 . 1 . . . . . 7 ILE HB . 51537 1
72 . 1 . 1 7 7 ILE HG12 H 1 1.194 0.000 . 2 . . . . . 7 ILE HG12 . 51537 1
73 . 1 . 1 7 7 ILE HG13 H 1 1.472 0.004 . 2 . . . . . 7 ILE HG13 . 51537 1
74 . 1 . 1 7 7 ILE HG21 H 1 0.891 0.003 . 1 . . . . . 7 ILE QG2 . 51537 1
75 . 1 . 1 7 7 ILE HG22 H 1 0.891 0.003 . 1 . . . . . 7 ILE QG2 . 51537 1
76 . 1 . 1 7 7 ILE HG23 H 1 0.891 0.003 . 1 . . . . . 7 ILE QG2 . 51537 1
77 . 1 . 1 7 7 ILE HD11 H 1 0.885 0.000 . 1 . . . . . 7 ILE QD1 . 51537 1
78 . 1 . 1 7 7 ILE HD12 H 1 0.885 0.000 . 1 . . . . . 7 ILE QD1 . 51537 1
79 . 1 . 1 7 7 ILE HD13 H 1 0.885 0.000 . 1 . . . . . 7 ILE QD1 . 51537 1
80 . 1 . 1 7 7 ILE CA C 13 61.231 0.000 . 1 . . . . . 7 ILE CA . 51537 1
81 . 1 . 1 7 7 ILE CB C 13 39.097 0.000 . 1 . . . . . 7 ILE CB . 51537 1
82 . 1 . 1 7 7 ILE CG1 C 13 27.518 0.007 . 1 . . . . . 7 ILE CG1 . 51537 1
83 . 1 . 1 7 7 ILE CG2 C 13 17.736 0.000 . 1 . . . . . 7 ILE CG2 . 51537 1
84 . 1 . 1 7 7 ILE CD1 C 13 13.420 0.000 . 1 . . . . . 7 ILE CD1 . 51537 1
85 . 1 . 1 8 8 VAL H H 1 7.953 0.001 . 1 . . . . . 8 VAL H . 51537 1
86 . 1 . 1 8 8 VAL HA H 1 4.107 0.002 . 1 . . . . . 8 VAL HA . 51537 1
87 . 1 . 1 8 8 VAL HB H 1 2.075 0.004 . 1 . . . . . 8 VAL HB . 51537 1
88 . 1 . 1 8 8 VAL HG11 H 1 0.914 0.005 . 2 . . . . . 8 VAL QG1 . 51537 1
89 . 1 . 1 8 8 VAL HG12 H 1 0.914 0.005 . 2 . . . . . 8 VAL QG1 . 51537 1
90 . 1 . 1 8 8 VAL HG13 H 1 0.914 0.005 . 2 . . . . . 8 VAL QG1 . 51537 1
91 . 1 . 1 8 8 VAL HG21 H 1 0.938 0.007 . 2 . . . . . 8 VAL QG2 . 51537 1
92 . 1 . 1 8 8 VAL HG22 H 1 0.938 0.007 . 2 . . . . . 8 VAL QG2 . 51537 1
93 . 1 . 1 8 8 VAL HG23 H 1 0.938 0.007 . 2 . . . . . 8 VAL QG2 . 51537 1
94 . 1 . 1 8 8 VAL CA C 13 62.417 0.000 . 1 . . . . . 8 VAL CA . 51537 1
95 . 1 . 1 8 8 VAL CB C 13 32.910 0.000 . 1 . . . . . 8 VAL CB . 51537 1
96 . 1 . 1 8 8 VAL CG1 C 13 21.347 0.000 . 1 . . . . . 8 VAL CG1 . 51537 1
97 . 1 . 1 8 8 VAL CG2 C 13 21.476 0.000 . 1 . . . . . 8 VAL CG2 . 51537 1
98 . 1 . 1 9 9 MET H H 1 8.523 0.026 . 1 . . . . . 9 MET H . 51537 1
99 . 1 . 1 9 9 MET HA H 1 4.681 0.006 . 1 . . . . . 9 MET HA . 51537 1
100 . 1 . 1 9 9 MET HB2 H 1 2.015 0.002 . 2 . . . . . 9 MET HB2 . 51537 1
101 . 1 . 1 9 9 MET HB3 H 1 2.079 0.003 . 2 . . . . . 9 MET HB3 . 51537 1
102 . 1 . 1 9 9 MET HG2 H 1 2.563 0.003 . 2 . . . . . 9 MET HG2 . 51537 1
103 . 1 . 1 9 9 MET HG3 H 1 2.612 0.002 . 2 . . . . . 9 MET HG3 . 51537 1
104 . 1 . 1 9 9 MET HE1 H 1 2.059 0.000 . 1 . . . . . 9 MET HE# . 51537 1
105 . 1 . 1 9 9 MET HE2 H 1 2.059 0.000 . 1 . . . . . 9 MET HE# . 51537 1
106 . 1 . 1 9 9 MET HE3 H 1 2.059 0.000 . 1 . . . . . 9 MET HE# . 51537 1
107 . 1 . 1 9 9 MET CB C 13 32.247 0.022 . 1 . . . . . 9 MET CB . 51537 1
108 . 1 . 1 9 9 MET CG C 13 32.463 0.003 . 1 . . . . . 9 MET CG . 51537 1
109 . 1 . 1 9 9 MET CE C 13 17.395 0.000 . 1 . . . . . 9 MET CE . 51537 1
110 . 1 . 1 10 10 PRO HA H 1 4.474 0.004 . 1 . . . . . 10 PRO HA . 51537 1
111 . 1 . 1 10 10 PRO HB2 H 1 1.971 0.003 . 2 . . . . . 10 PRO HB2 . 51537 1
112 . 1 . 1 10 10 PRO HB3 H 1 2.259 0.003 . 2 . . . . . 10 PRO HB3 . 51537 1
113 . 1 . 1 10 10 PRO HG2 H 1 1.964 0.000 . 2 . . . . . 10 PRO HG2 . 51537 1
114 . 1 . 1 10 10 PRO HG3 H 1 2.083 0.003 . 2 . . . . . 10 PRO HG3 . 51537 1
115 . 1 . 1 10 10 PRO HD2 H 1 3.692 0.002 . 2 . . . . . 10 PRO HD2 . 51537 1
116 . 1 . 1 10 10 PRO HD3 H 1 3.897 0.001 . 2 . . . . . 10 PRO HD3 . 51537 1
117 . 1 . 1 10 10 PRO CA C 13 63.760 0.000 . 1 . . . . . 10 PRO CA . 51537 1
118 . 1 . 1 10 10 PRO CB C 13 31.614 0.014 . 1 . . . . . 10 PRO CB . 51537 1
119 . 1 . 1 10 10 PRO CG C 13 27.809 0.002 . 1 . . . . . 10 PRO CG . 51537 1
120 . 1 . 1 10 10 PRO CD C 13 50.632 0.000 . 1 . . . . . 10 PRO CD . 51537 1
121 . 1 . 1 11 11 LYS H H 1 8.389 0.003 . 1 . . . . . 11 LYS H . 51537 1
122 . 1 . 1 11 11 LYS HA H 1 4.023 0.003 . 1 . . . . . 11 LYS HA . 51537 1
123 . 1 . 1 11 11 LYS HB2 H 1 1.771 0.002 . 2 . . . . . 11 LYS HB2 . 51537 1
124 . 1 . 1 11 11 LYS HB3 H 1 1.824 0.005 . 2 . . . . . 11 LYS HB3 . 51537 1
125 . 1 . 1 11 11 LYS HG2 H 1 1.413 0.004 . 2 . . . . . 11 LYS HG2 . 51537 1
126 . 1 . 1 11 11 LYS HG3 H 1 1.543 0.002 . 2 . . . . . 11 LYS HG3 . 51537 1
127 . 1 . 1 11 11 LYS HD2 H 1 1.687 0.007 . 2 . . . . . 11 LYS HD2 . 51537 1
128 . 1 . 1 11 11 LYS HD3 H 1 1.687 0.007 . 2 . . . . . 11 LYS HD3 . 51537 1
129 . 1 . 1 11 11 LYS HE2 H 1 2.970 0.002 . 2 . . . . . 11 LYS HE2 . 51537 1
130 . 1 . 1 11 11 LYS HE3 H 1 2.970 0.002 . 2 . . . . . 11 LYS HE3 . 51537 1
131 . 1 . 1 11 11 LYS CA C 13 58.831 0.000 . 1 . . . . . 11 LYS CA . 51537 1
132 . 1 . 1 11 11 LYS CB C 13 32.916 0.005 . 1 . . . . . 11 LYS CB . 51537 1
133 . 1 . 1 11 11 LYS CG C 13 25.431 0.009 . 1 . . . . . 11 LYS CG . 51537 1
134 . 1 . 1 11 11 LYS CD C 13 29.291 0.000 . 1 . . . . . 11 LYS CD . 51537 1
135 . 1 . 1 11 11 LYS CE C 13 42.085 0.000 . 1 . . . . . 11 LYS CE . 51537 1
136 . 1 . 1 12 12 LYS H H 1 8.345 0.001 . 1 . . . . . 12 LYS H . 51537 1
137 . 1 . 1 12 12 LYS HA H 1 4.094 0.003 . 1 . . . . . 12 LYS HA . 51537 1
138 . 1 . 1 12 12 LYS HB2 H 1 1.760 0.006 . 2 . . . . . 12 LYS HB2 . 51537 1
139 . 1 . 1 12 12 LYS HB3 H 1 1.821 0.006 . 2 . . . . . 12 LYS HB3 . 51537 1
140 . 1 . 1 12 12 LYS HG2 H 1 1.274 0.002 . 2 . . . . . 12 LYS HG2 . 51537 1
141 . 1 . 1 12 12 LYS HG3 H 1 1.364 0.006 . 2 . . . . . 12 LYS HG3 . 51537 1
142 . 1 . 1 12 12 LYS HD2 H 1 1.644 0.006 . 2 . . . . . 12 LYS HD2 . 51537 1
143 . 1 . 1 12 12 LYS HD3 H 1 1.644 0.006 . 2 . . . . . 12 LYS HD3 . 51537 1
144 . 1 . 1 12 12 LYS HE2 H 1 2.908 0.004 . 2 . . . . . 12 LYS HE2 . 51537 1
145 . 1 . 1 12 12 LYS HE3 H 1 2.908 0.004 . 2 . . . . . 12 LYS HE3 . 51537 1
146 . 1 . 1 12 12 LYS HZ1 H 1 7.624 0.004 . 1 . . . . . 12 LYS HZ1 . 51537 1
147 . 1 . 1 12 12 LYS HZ2 H 1 7.624 0.004 . 1 . . . . . 12 LYS HZ2 . 51537 1
148 . 1 . 1 12 12 LYS HZ3 H 1 7.624 0.004 . 1 . . . . . 12 LYS HZ3 . 51537 1
149 . 1 . 1 12 12 LYS CA C 13 58.339 0.000 . 1 . . . . . 12 LYS CA . 51537 1
150 . 1 . 1 12 12 LYS CB C 13 32.611 0.016 . 1 . . . . . 12 LYS CB . 51537 1
151 . 1 . 1 12 12 LYS CG C 13 25.076 0.001 . 1 . . . . . 12 LYS CG . 51537 1
152 . 1 . 1 12 12 LYS CD C 13 29.309 0.000 . 1 . . . . . 12 LYS CD . 51537 1
153 . 1 . 1 12 12 LYS CE C 13 42.050 0.000 . 1 . . . . . 12 LYS CE . 51537 1
154 . 1 . 1 13 13 PHE H H 1 7.996 0.004 . 1 . . . . . 13 PHE H . 51537 1
155 . 1 . 1 13 13 PHE HA H 1 4.445 0.002 . 1 . . . . . 13 PHE HA . 51537 1
156 . 1 . 1 13 13 PHE HB2 H 1 3.135 0.003 . 2 . . . . . 13 PHE HB2 . 51537 1
157 . 1 . 1 13 13 PHE HB3 H 1 3.135 0.003 . 2 . . . . . 13 PHE HB3 . 51537 1
158 . 1 . 1 13 13 PHE HD1 H 1 7.196 0.002 . 1 . . . . . 13 PHE HD1 . 51537 1
159 . 1 . 1 13 13 PHE HD2 H 1 7.196 0.002 . 1 . . . . . 13 PHE HD2 . 51537 1
160 . 1 . 1 13 13 PHE HE1 H 1 7.295 0.003 . 1 . . . . . 13 PHE HE1 . 51537 1
161 . 1 . 1 13 13 PHE HE2 H 1 7.295 0.003 . 1 . . . . . 13 PHE HE2 . 51537 1
162 . 1 . 1 13 13 PHE HZ H 1 7.247 0.002 . 1 . . . . . 13 PHE HZ . 51537 1
163 . 1 . 1 13 13 PHE CA C 13 59.478 0.000 . 1 . . . . . 13 PHE CA . 51537 1
164 . 1 . 1 13 13 PHE CB C 13 39.596 0.000 . 1 . . . . . 13 PHE CB . 51537 1
165 . 1 . 1 13 13 PHE CD1 C 13 131.607 0.000 . 1 . . . . . 13 PHE CD1 . 51537 1
166 . 1 . 1 13 13 PHE CD2 C 13 131.607 0.000 . 1 . . . . . 13 PHE CD2 . 51537 1
167 . 1 . 1 13 13 PHE CE1 C 13 131.298 0.000 . 1 . . . . . 13 PHE CE1 . 51537 1
168 . 1 . 1 13 13 PHE CE2 C 13 131.298 0.000 . 1 . . . . . 13 PHE CE2 . 51537 1
169 . 1 . 1 13 13 PHE CZ C 13 129.752 0.000 . 1 . . . . . 13 PHE CZ . 51537 1
170 . 1 . 1 14 14 ILE H H 1 7.986 0.001 . 1 . . . . . 14 ILE H . 51537 1
171 . 1 . 1 14 14 ILE HA H 1 3.768 0.002 . 1 . . . . . 14 ILE HA . 51537 1
172 . 1 . 1 14 14 ILE HB H 1 1.892 0.005 . 1 . . . . . 14 ILE HB . 51537 1
173 . 1 . 1 14 14 ILE HG12 H 1 1.212 0.005 . 2 . . . . . 14 ILE HG12 . 51537 1
174 . 1 . 1 14 14 ILE HG13 H 1 1.611 0.003 . 2 . . . . . 14 ILE HG13 . 51537 1
175 . 1 . 1 14 14 ILE HG21 H 1 0.902 0.002 . 1 . . . . . 14 ILE QG2 . 51537 1
176 . 1 . 1 14 14 ILE HG22 H 1 0.902 0.002 . 1 . . . . . 14 ILE QG2 . 51537 1
177 . 1 . 1 14 14 ILE HG23 H 1 0.902 0.002 . 1 . . . . . 14 ILE QG2 . 51537 1
178 . 1 . 1 14 14 ILE HD11 H 1 0.852 0.004 . 1 . . . . . 14 ILE QD1 . 51537 1
179 . 1 . 1 14 14 ILE HD12 H 1 0.852 0.004 . 1 . . . . . 14 ILE QD1 . 51537 1
180 . 1 . 1 14 14 ILE HD13 H 1 0.852 0.004 . 1 . . . . . 14 ILE QD1 . 51537 1
181 . 1 . 1 14 14 ILE CA C 13 63.126 0.000 . 1 . . . . . 14 ILE CA . 51537 1
182 . 1 . 1 14 14 ILE CB C 13 37.982 0.000 . 1 . . . . . 14 ILE CB . 51537 1
183 . 1 . 1 14 14 ILE CG1 C 13 28.470 0.005 . 1 . . . . . 14 ILE CG1 . 51537 1
184 . 1 . 1 14 14 ILE CG2 C 13 17.723 0.000 . 1 . . . . . 14 ILE CG2 . 51537 1
185 . 1 . 1 14 14 ILE CD1 C 13 12.869 0.000 . 1 . . . . . 14 ILE CD1 . 51537 1
186 . 1 . 1 15 15 LYS H H 1 8.024 0.002 . 1 . . . . . 15 LYS H . 51537 1
187 . 1 . 1 15 15 LYS HA H 1 4.029 0.002 . 1 . . . . . 15 LYS HA . 51537 1
188 . 1 . 1 15 15 LYS HB2 H 1 1.824 0.002 . 2 . . . . . 15 LYS HB2 . 51537 1
189 . 1 . 1 15 15 LYS HB3 H 1 1.824 0.002 . 2 . . . . . 15 LYS HB3 . 51537 1
190 . 1 . 1 15 15 LYS HG2 H 1 1.411 0.000 . 2 . . . . . 15 LYS HG2 . 51537 1
191 . 1 . 1 15 15 LYS HG3 H 1 1.522 0.002 . 2 . . . . . 15 LYS HG3 . 51537 1
192 . 1 . 1 15 15 LYS HD2 H 1 1.681 0.005 . 2 . . . . . 15 LYS HD2 . 51537 1
193 . 1 . 1 15 15 LYS HD3 H 1 1.681 0.005 . 2 . . . . . 15 LYS HD3 . 51537 1
194 . 1 . 1 15 15 LYS HE2 H 1 2.972 0.001 . 2 . . . . . 15 LYS HE2 . 51537 1
195 . 1 . 1 15 15 LYS HE3 H 1 2.972 0.001 . 2 . . . . . 15 LYS HE3 . 51537 1
196 . 1 . 1 15 15 LYS HZ1 H 1 7.670 0.000 . 1 . . . . . 15 LYS HZ1 . 51537 1
197 . 1 . 1 15 15 LYS HZ2 H 1 7.670 0.000 . 1 . . . . . 15 LYS HZ2 . 51537 1
198 . 1 . 1 15 15 LYS HZ3 H 1 7.670 0.000 . 1 . . . . . 15 LYS HZ3 . 51537 1
199 . 1 . 1 15 15 LYS CA C 13 58.460 0.000 . 1 . . . . . 15 LYS CA . 51537 1
200 . 1 . 1 15 15 LYS CB C 13 32.660 0.000 . 1 . . . . . 15 LYS CB . 51537 1
201 . 1 . 1 15 15 LYS CG C 13 25.211 0.033 . 1 . . . . . 15 LYS CG . 51537 1
202 . 1 . 1 15 15 LYS CD C 13 29.279 0.000 . 1 . . . . . 15 LYS CD . 51537 1
203 . 1 . 1 15 15 LYS CE C 13 42.091 0.000 . 1 . . . . . 15 LYS CE . 51537 1
204 . 1 . 1 16 16 LYS H H 1 7.794 0.004 . 1 . . . . . 16 LYS H . 51537 1
205 . 1 . 1 16 16 LYS HA H 1 4.134 0.004 . 1 . . . . . 16 LYS HA . 51537 1
206 . 1 . 1 16 16 LYS HB2 H 1 1.836 0.003 . 2 . . . . . 16 LYS HB2 . 51537 1
207 . 1 . 1 16 16 LYS HB3 H 1 1.836 0.003 . 2 . . . . . 16 LYS HB3 . 51537 1
208 . 1 . 1 16 16 LYS HG2 H 1 1.413 0.002 . 2 . . . . . 16 LYS HG2 . 51537 1
209 . 1 . 1 16 16 LYS HG3 H 1 1.508 0.010 . 2 . . . . . 16 LYS HG3 . 51537 1
210 . 1 . 1 16 16 LYS HD2 H 1 1.673 0.004 . 2 . . . . . 16 LYS HD2 . 51537 1
211 . 1 . 1 16 16 LYS HD3 H 1 1.673 0.004 . 2 . . . . . 16 LYS HD3 . 51537 1
212 . 1 . 1 16 16 LYS HE2 H 1 2.938 0.002 . 2 . . . . . 16 LYS HE2 . 51537 1
213 . 1 . 1 16 16 LYS HE3 H 1 2.938 0.002 . 2 . . . . . 16 LYS HE3 . 51537 1
214 . 1 . 1 16 16 LYS HZ1 H 1 7.705 0.005 . 1 . . . . . 16 LYS HZ1 . 51537 1
215 . 1 . 1 16 16 LYS HZ2 H 1 7.705 0.005 . 1 . . . . . 16 LYS HZ2 . 51537 1
216 . 1 . 1 16 16 LYS HZ3 H 1 7.705 0.005 . 1 . . . . . 16 LYS HZ3 . 51537 1
217 . 1 . 1 16 16 LYS CA C 13 57.702 0.000 . 1 . . . . . 16 LYS CA . 51537 1
218 . 1 . 1 16 16 LYS CB C 13 32.927 0.000 . 1 . . . . . 16 LYS CB . 51537 1
219 . 1 . 1 16 16 LYS CG C 13 25.126 0.013 . 1 . . . . . 16 LYS CG . 51537 1
220 . 1 . 1 16 16 LYS CD C 13 29.316 0.000 . 1 . . . . . 16 LYS CD . 51537 1
221 . 1 . 1 16 16 LYS CE C 13 42.044 0.000 . 1 . . . . . 16 LYS CE . 51537 1
222 . 1 . 1 17 17 LEU H H 1 7.943 0.003 . 1 . . . . . 17 LEU H . 51537 1
223 . 1 . 1 17 17 LEU HA H 1 4.133 0.002 . 1 . . . . . 17 LEU HA . 51537 1
224 . 1 . 1 17 17 LEU HB2 H 1 1.523 0.004 . 2 . . . . . 17 LEU HB2 . 51537 1
225 . 1 . 1 17 17 LEU HB3 H 1 1.664 0.005 . 2 . . . . . 17 LEU HB3 . 51537 1
226 . 1 . 1 17 17 LEU HG H 1 1.615 0.003 . 1 . . . . . 17 LEU HG . 51537 1
227 . 1 . 1 17 17 LEU HD11 H 1 0.804 0.004 . 2 . . . . . 17 LEU QD1 . 51537 1
228 . 1 . 1 17 17 LEU HD12 H 1 0.804 0.004 . 2 . . . . . 17 LEU QD1 . 51537 1
229 . 1 . 1 17 17 LEU HD13 H 1 0.804 0.004 . 2 . . . . . 17 LEU QD1 . 51537 1
230 . 1 . 1 17 17 LEU HD21 H 1 0.837 0.002 . 2 . . . . . 17 LEU QD2 . 51537 1
231 . 1 . 1 17 17 LEU HD22 H 1 0.837 0.002 . 2 . . . . . 17 LEU QD2 . 51537 1
232 . 1 . 1 17 17 LEU HD23 H 1 0.837 0.002 . 2 . . . . . 17 LEU QD2 . 51537 1
233 . 1 . 1 17 17 LEU CA C 13 56.204 0.000 . 1 . . . . . 17 LEU CA . 51537 1
234 . 1 . 1 17 17 LEU CB C 13 42.335 0.002 . 1 . . . . . 17 LEU CB . 51537 1
235 . 1 . 1 17 17 LEU CG C 13 26.866 0.000 . 1 . . . . . 17 LEU CG . 51537 1
236 . 1 . 1 17 17 LEU CD1 C 13 23.691 0.000 . 1 . . . . . 17 LEU CD1 . 51537 1
237 . 1 . 1 17 17 LEU CD2 C 13 25.218 0.000 . 1 . . . . . 17 LEU CD2 . 51537 1
238 . 1 . 1 18 18 ARG H H 1 8.087 0.002 . 1 . . . . . 18 ARG H . 51537 1
239 . 1 . 1 18 18 ARG HA H 1 4.186 0.003 . 1 . . . . . 18 ARG HA . 51537 1
240 . 1 . 1 18 18 ARG HB2 H 1 1.765 0.001 . 2 . . . . . 18 ARG HB2 . 51537 1
241 . 1 . 1 18 18 ARG HB3 H 1 1.893 0.004 . 2 . . . . . 18 ARG HB3 . 51537 1
242 . 1 . 1 18 18 ARG HG2 H 1 1.619 0.004 . 2 . . . . . 18 ARG HG2 . 51537 1
243 . 1 . 1 18 18 ARG HG3 H 1 1.758 0.003 . 2 . . . . . 18 ARG HG3 . 51537 1
244 . 1 . 1 18 18 ARG HD2 H 1 3.149 0.003 . 2 . . . . . 18 ARG HD2 . 51537 1
245 . 1 . 1 18 18 ARG HD3 H 1 3.149 0.003 . 2 . . . . . 18 ARG HD3 . 51537 1
246 . 1 . 1 18 18 ARG HE H 1 7.415 0.001 . 1 . . . . . 18 ARG HE . 51537 1
247 . 1 . 1 18 18 ARG CA C 13 56.881 0.000 . 1 . . . . . 18 ARG CA . 51537 1
248 . 1 . 1 18 18 ARG CB C 13 30.700 0.003 . 1 . . . . . 18 ARG CB . 51537 1
249 . 1 . 1 18 18 ARG CG C 13 27.512 0.000 . 1 . . . . . 18 ARG CG . 51537 1
250 . 1 . 1 18 18 ARG CD C 13 43.529 0.000 . 1 . . . . . 18 ARG CD . 51537 1
251 . 1 . 1 19 19 LYS H H 1 7.990 0.002 . 1 . . . . . 19 LYS H . 51537 1
252 . 1 . 1 19 19 LYS HA H 1 4.211 0.002 . 1 . . . . . 19 LYS HA . 51537 1
253 . 1 . 1 19 19 LYS HB2 H 1 1.830 0.003 . 2 . . . . . 19 LYS HB2 . 51537 1
254 . 1 . 1 19 19 LYS HB3 H 1 1.830 0.003 . 2 . . . . . 19 LYS HB3 . 51537 1
255 . 1 . 1 19 19 LYS HG2 H 1 1.502 0.006 . 2 . . . . . 19 LYS HG2 . 51537 1
256 . 1 . 1 19 19 LYS HG3 H 1 1.502 0.006 . 2 . . . . . 19 LYS HG3 . 51537 1
257 . 1 . 1 19 19 LYS HD2 H 1 1.682 0.003 . 2 . . . . . 19 LYS HD2 . 51537 1
258 . 1 . 1 19 19 LYS HD3 H 1 1.682 0.003 . 2 . . . . . 19 LYS HD3 . 51537 1
259 . 1 . 1 19 19 LYS HE2 H 1 2.976 0.004 . 2 . . . . . 19 LYS HE2 . 51537 1
260 . 1 . 1 19 19 LYS HE3 H 1 2.976 0.004 . 2 . . . . . 19 LYS HE3 . 51537 1
261 . 1 . 1 19 19 LYS HZ1 H 1 7.594 0.000 . 1 . . . . . 19 LYS HZ1 . 51537 1
262 . 1 . 1 19 19 LYS HZ2 H 1 7.594 0.000 . 1 . . . . . 19 LYS HZ2 . 51537 1
263 . 1 . 1 19 19 LYS HZ3 H 1 7.594 0.000 . 1 . . . . . 19 LYS HZ3 . 51537 1
264 . 1 . 1 19 19 LYS CA C 13 56.862 0.000 . 1 . . . . . 19 LYS CA . 51537 1
265 . 1 . 1 19 19 LYS CB C 13 32.660 0.000 . 1 . . . . . 19 LYS CB . 51537 1
266 . 1 . 1 19 19 LYS CG C 13 24.865 0.000 . 1 . . . . . 19 LYS CG . 51537 1
267 . 1 . 1 19 19 LYS CD C 13 29.119 0.000 . 1 . . . . . 19 LYS CD . 51537 1
268 . 1 . 1 19 19 LYS CE C 13 42.091 0.000 . 1 . . . . . 19 LYS CE . 51537 1
269 . 1 . 1 20 20 LYS H H 1 8.152 0.002 . 1 . . . . . 20 LYS H . 51537 1
270 . 1 . 1 20 20 LYS HA H 1 4.204 0.004 . 1 . . . . . 20 LYS HA . 51537 1
271 . 1 . 1 20 20 LYS HB2 H 1 1.840 0.006 . 2 . . . . . 20 LYS HB2 . 51537 1
272 . 1 . 1 20 20 LYS HB3 H 1 1.840 0.006 . 2 . . . . . 20 LYS HB3 . 51537 1
273 . 1 . 1 20 20 LYS HG2 H 1 1.474 0.003 . 2 . . . . . 20 LYS HG2 . 51537 1
274 . 1 . 1 20 20 LYS HG3 H 1 1.474 0.003 . 2 . . . . . 20 LYS HG3 . 51537 1
275 . 1 . 1 20 20 LYS HD2 H 1 1.681 0.003 . 2 . . . . . 20 LYS HD2 . 51537 1
276 . 1 . 1 20 20 LYS HD3 H 1 1.681 0.003 . 2 . . . . . 20 LYS HD3 . 51537 1
277 . 1 . 1 20 20 LYS HE2 H 1 2.975 0.003 . 2 . . . . . 20 LYS HE2 . 51537 1
278 . 1 . 1 20 20 LYS HE3 H 1 2.975 0.003 . 2 . . . . . 20 LYS HE3 . 51537 1
279 . 1 . 1 20 20 LYS CA C 13 56.483 0.000 . 1 . . . . . 20 LYS CA . 51537 1
280 . 1 . 1 20 20 LYS CB C 13 32.921 0.000 . 1 . . . . . 20 LYS CB . 51537 1
281 . 1 . 1 20 20 LYS CG C 13 24.859 0.000 . 1 . . . . . 20 LYS CG . 51537 1
282 . 1 . 1 20 20 LYS CD C 13 29.131 0.000 . 1 . . . . . 20 LYS CD . 51537 1
283 . 1 . 1 20 20 LYS CE C 13 42.091 0.000 . 1 . . . . . 20 LYS CE . 51537 1
284 . 1 . 1 21 21 NH2 HN1 H 1 7.112 0.001 . 2 . . . . . 21 NH2 HN1 . 51537 1
285 . 1 . 1 21 21 NH2 HN2 H 1 7.511 0.001 . 2 . . . . . 21 NH2 HN2 . 51537 1
stop_
save_