Content for NMR-STAR saveframe, "assigned_chemical_shifts_3"
save_assigned_chemical_shifts_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3
_Assigned_chem_shift_list.Entry_ID 50486
_Assigned_chem_shift_list.ID 3
_Assigned_chem_shift_list.Name hECP30_25D
_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 .
_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 .
_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
18 '2D 1H-1H TOCSY' . . . 50486 3
19 '2D 1H-13C HSQC aliphatic' . . . 50486 3
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 . . 50486 3
2 $software_2 . . 50486 3
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 ARG HA H 1 4.329 0.001 . 1 . . . . . 1 ARG HA . 50486 3
2 . 1 . 1 1 1 ARG HB2 H 1 1.905 0.000 . 2 . . . . . 1 ARG HB2 . 50486 3
3 . 1 . 1 1 1 ARG HB3 H 1 1.905 0.000 . 2 . . . . . 1 ARG HB3 . 50486 3
4 . 1 . 1 1 1 ARG HG2 H 1 1.650 0.005 . 2 . . . . . 1 ARG HG2 . 50486 3
5 . 1 . 1 1 1 ARG HG3 H 1 1.690 0.003 . 2 . . . . . 1 ARG HG3 . 50486 3
6 . 1 . 1 1 1 ARG HD2 H 1 3.200 0.003 . 2 . . . . . 1 ARG HD2 . 50486 3
7 . 1 . 1 1 1 ARG HD3 H 1 3.200 0.003 . 2 . . . . . 1 ARG HD3 . 50486 3
8 . 1 . 1 1 1 ARG CA C 13 54.060 0.000 . 1 . . . . . 1 ARG CA . 50486 3
9 . 1 . 1 1 1 ARG CB C 13 29.818 0.000 . 1 . . . . . 1 ARG CB . 50486 3
10 . 1 . 1 1 1 ARG CG C 13 25.850 0.007 . 1 . . . . . 1 ARG CG . 50486 3
11 . 1 . 1 1 1 ARG CD C 13 43.192 0.000 . 1 . . . . . 1 ARG CD . 50486 3
12 . 1 . 1 2 2 PRO HA H 1 4.484 0.001 . 1 . . . . . 2 PRO HA . 50486 3
13 . 1 . 1 2 2 PRO HB2 H 1 1.839 0.003 . 2 . . . . . 2 PRO HB2 . 50486 3
14 . 1 . 1 2 2 PRO HB3 H 1 2.277 0.001 . 2 . . . . . 2 PRO HB3 . 50486 3
15 . 1 . 1 2 2 PRO HG2 H 1 1.984 0.003 . 2 . . . . . 2 PRO HG2 . 50486 3
16 . 1 . 1 2 2 PRO HG3 H 1 1.984 0.003 . 2 . . . . . 2 PRO HG3 . 50486 3
17 . 1 . 1 2 2 PRO HD2 H 1 3.567 0.004 . 2 . . . . . 2 PRO HD2 . 50486 3
18 . 1 . 1 2 2 PRO HD3 H 1 3.720 0.002 . 2 . . . . . 2 PRO HD3 . 50486 3
19 . 1 . 1 2 2 PRO CA C 13 63.040 0.000 . 1 . . . . . 2 PRO CA . 50486 3
20 . 1 . 1 2 2 PRO CB C 13 32.108 0.007 . 1 . . . . . 2 PRO CB . 50486 3
21 . 1 . 1 2 2 PRO CG C 13 27.336 0.000 . 1 . . . . . 2 PRO CG . 50486 3
22 . 1 . 1 2 2 PRO CD C 13 50.653 0.004 . 1 . . . . . 2 PRO CD . 50486 3
23 . 1 . 1 3 3 PHE HA H 1 4.719 0.002 . 1 . . . . . 3 PHE HA . 50486 3
24 . 1 . 1 3 3 PHE HB2 H 1 3.043 0.006 . 2 . . . . . 3 PHE HB2 . 50486 3
25 . 1 . 1 3 3 PHE HB3 H 1 3.114 0.004 . 2 . . . . . 3 PHE HB3 . 50486 3
26 . 1 . 1 3 3 PHE CA C 13 57.689 0.000 . 1 . . . . . 3 PHE CA . 50486 3
27 . 1 . 1 3 3 PHE CB C 13 39.767 0.011 . 1 . . . . . 3 PHE CB . 50486 3
28 . 1 . 1 4 4 THR HA H 1 4.346 0.000 . 1 . . . . . 4 THR HA . 50486 3
29 . 1 . 1 4 4 THR HG21 H 1 1.191 0.000 . 1 . . . . . 4 THR QG2 . 50486 3
30 . 1 . 1 4 4 THR HG22 H 1 1.191 0.000 . 1 . . . . . 4 THR QG2 . 50486 3
31 . 1 . 1 4 4 THR HG23 H 1 1.191 0.000 . 1 . . . . . 4 THR QG2 . 50486 3
32 . 1 . 1 4 4 THR CA C 13 61.068 0.000 . 1 . . . . . 4 THR CA . 50486 3
33 . 1 . 1 4 4 THR CG2 C 13 21.579 0.000 . 1 . . . . . 4 THR CG2 . 50486 3
34 . 1 . 1 5 5 ARG HA H 1 4.162 0.002 . 1 . . . . . 5 ARG HA . 50486 3
35 . 1 . 1 5 5 ARG HB2 H 1 1.768 0.000 . 2 . . . . . 5 ARG HB2 . 50486 3
36 . 1 . 1 5 5 ARG HB3 H 1 1.830 0.000 . 2 . . . . . 5 ARG HB3 . 50486 3
37 . 1 . 1 5 5 ARG HG2 H 1 1.627 0.000 . 2 . . . . . 5 ARG HG2 . 50486 3
38 . 1 . 1 5 5 ARG HG3 H 1 1.651 0.000 . 2 . . . . . 5 ARG HG3 . 50486 3
39 . 1 . 1 5 5 ARG HD2 H 1 3.151 0.002 . 2 . . . . . 5 ARG HD2 . 50486 3
40 . 1 . 1 5 5 ARG HD3 H 1 3.151 0.002 . 2 . . . . . 5 ARG HD3 . 50486 3
41 . 1 . 1 5 5 ARG CA C 13 57.002 0.000 . 1 . . . . . 5 ARG CA . 50486 3
42 . 1 . 1 5 5 ARG CB C 13 30.576 0.007 . 1 . . . . . 5 ARG CB . 50486 3
43 . 1 . 1 5 5 ARG CG C 13 27.157 0.001 . 1 . . . . . 5 ARG CG . 50486 3
44 . 1 . 1 5 5 ARG CD C 13 43.241 0.000 . 1 . . . . . 5 ARG CD . 50486 3
45 . 1 . 1 6 6 ALA HA H 1 4.214 0.000 . 1 . . . . . 6 ALA HA . 50486 3
46 . 1 . 1 6 6 ALA HB1 H 1 1.336 0.000 . 1 . . . . . 6 ALA HB# . 50486 3
47 . 1 . 1 6 6 ALA HB2 H 1 1.336 0.000 . 1 . . . . . 6 ALA HB# . 50486 3
48 . 1 . 1 6 6 ALA HB3 H 1 1.336 0.000 . 1 . . . . . 6 ALA HB# . 50486 3
49 . 1 . 1 6 6 ALA CA C 13 53.325 0.000 . 1 . . . . . 6 ALA CA . 50486 3
50 . 1 . 1 6 6 ALA CB C 13 18.803 0.000 . 1 . . . . . 6 ALA CB . 50486 3
51 . 1 . 1 7 7 GLN HA H 1 4.154 0.001 . 1 . . . . . 7 GLN HA . 50486 3
52 . 1 . 1 7 7 GLN HB2 H 1 1.899 0.000 . 2 . . . . . 7 GLN HB2 . 50486 3
53 . 1 . 1 7 7 GLN HB3 H 1 1.967 0.000 . 2 . . . . . 7 GLN HB3 . 50486 3
54 . 1 . 1 7 7 GLN HG2 H 1 2.246 0.000 . 2 . . . . . 7 GLN HG2 . 50486 3
55 . 1 . 1 7 7 GLN HG3 H 1 2.246 0.000 . 2 . . . . . 7 GLN HG3 . 50486 3
56 . 1 . 1 7 7 GLN CA C 13 56.719 0.000 . 1 . . . . . 7 GLN CA . 50486 3
57 . 1 . 1 7 7 GLN CB C 13 29.229 0.002 . 1 . . . . . 7 GLN CB . 50486 3
58 . 1 . 1 7 7 GLN CG C 13 33.937 0.000 . 1 . . . . . 7 GLN CG . 50486 3
59 . 1 . 1 8 8 TRP HA H 1 4.475 0.001 . 1 . . . . . 8 TRP HA . 50486 3
60 . 1 . 1 8 8 TRP HB2 H 1 3.214 0.003 . 2 . . . . . 8 TRP HB2 . 50486 3
61 . 1 . 1 8 8 TRP HB3 H 1 3.214 0.003 . 2 . . . . . 8 TRP HB3 . 50486 3
62 . 1 . 1 8 8 TRP CA C 13 58.255 0.000 . 1 . . . . . 8 TRP CA . 50486 3
63 . 1 . 1 8 8 TRP CB C 13 29.582 0.000 . 1 . . . . . 8 TRP CB . 50486 3
64 . 1 . 1 9 9 PHE HA H 1 4.333 0.003 . 1 . . . . . 9 PHE HA . 50486 3
65 . 1 . 1 9 9 PHE HB2 H 1 2.920 0.005 . 2 . . . . . 9 PHE HB2 . 50486 3
66 . 1 . 1 9 9 PHE HB3 H 1 3.014 0.004 . 2 . . . . . 9 PHE HB3 . 50486 3
67 . 1 . 1 9 9 PHE CA C 13 58.340 0.000 . 1 . . . . . 9 PHE CA . 50486 3
68 . 1 . 1 9 9 PHE CB C 13 39.593 0.038 . 1 . . . . . 9 PHE CB . 50486 3
69 . 1 . 1 10 10 ALA HA H 1 4.155 0.000 . 1 . . . . . 10 ALA HA . 50486 3
70 . 1 . 1 10 10 ALA HB1 H 1 1.378 0.000 . 1 . . . . . 10 ALA HB# . 50486 3
71 . 1 . 1 10 10 ALA HB2 H 1 1.378 0.000 . 1 . . . . . 10 ALA HB# . 50486 3
72 . 1 . 1 10 10 ALA HB3 H 1 1.378 0.000 . 1 . . . . . 10 ALA HB# . 50486 3
73 . 1 . 1 10 10 ALA CA C 13 52.937 0.000 . 1 . . . . . 10 ALA CA . 50486 3
74 . 1 . 1 10 10 ALA CB C 13 18.839 0.000 . 1 . . . . . 10 ALA CB . 50486 3
75 . 1 . 1 11 11 ILE HA H 1 4.023 0.001 . 1 . . . . . 11 ILE HA . 50486 3
76 . 1 . 1 11 11 ILE HB H 1 1.798 0.003 . 1 . . . . . 11 ILE HB . 50486 3
77 . 1 . 1 11 11 ILE HG12 H 1 1.159 0.000 . 2 . . . . . 11 ILE HG12 . 50486 3
78 . 1 . 1 11 11 ILE HG13 H 1 1.433 0.000 . 2 . . . . . 11 ILE HG13 . 50486 3
79 . 1 . 1 11 11 ILE HG21 H 1 0.809 0.000 . 1 . . . . . 11 ILE QG2 . 50486 3
80 . 1 . 1 11 11 ILE HG22 H 1 0.809 0.000 . 1 . . . . . 11 ILE QG2 . 50486 3
81 . 1 . 1 11 11 ILE HG23 H 1 0.809 0.000 . 1 . . . . . 11 ILE QG2 . 50486 3
82 . 1 . 1 11 11 ILE HD11 H 1 0.789 0.000 . 1 . . . . . 11 ILE QD1 . 50486 3
83 . 1 . 1 11 11 ILE HD12 H 1 0.789 0.000 . 1 . . . . . 11 ILE QD1 . 50486 3
84 . 1 . 1 11 11 ILE HD13 H 1 0.789 0.000 . 1 . . . . . 11 ILE QD1 . 50486 3
85 . 1 . 1 11 11 ILE CA C 13 61.602 0.000 . 1 . . . . . 11 ILE CA . 50486 3
86 . 1 . 1 11 11 ILE CB C 13 38.699 0.000 . 1 . . . . . 11 ILE CB . 50486 3
87 . 1 . 1 11 11 ILE CG1 C 13 27.656 0.005 . 1 . . . . . 11 ILE CG1 . 50486 3
88 . 1 . 1 11 11 ILE CG2 C 13 17.396 0.000 . 1 . . . . . 11 ILE CG2 . 50486 3
89 . 1 . 1 11 11 ILE CD1 C 13 13.072 0.000 . 1 . . . . . 11 ILE CD1 . 50486 3
90 . 1 . 1 12 12 GLN HA H 1 4.177 0.001 . 1 . . . . . 12 GLN HA . 50486 3
91 . 1 . 1 12 12 GLN HB2 H 1 1.820 0.000 . 2 . . . . . 12 GLN HB2 . 50486 3
92 . 1 . 1 12 12 GLN HB3 H 1 1.909 0.000 . 2 . . . . . 12 GLN HB3 . 50486 3
93 . 1 . 1 12 12 GLN HG2 H 1 2.146 0.001 . 2 . . . . . 12 GLN HG2 . 50486 3
94 . 1 . 1 12 12 GLN HG3 H 1 2.146 0.001 . 2 . . . . . 12 GLN HG3 . 50486 3
95 . 1 . 1 12 12 GLN CA C 13 55.760 0.000 . 1 . . . . . 12 GLN CA . 50486 3
96 . 1 . 1 12 12 GLN CB C 13 29.319 0.019 . 1 . . . . . 12 GLN CB . 50486 3
97 . 1 . 1 12 12 GLN CG C 13 33.549 0.000 . 1 . . . . . 12 GLN CG . 50486 3
98 . 1 . 1 13 13 HIS HA H 1 4.606 0.001 . 1 . . . . . 13 HIS HA . 50486 3
99 . 1 . 1 13 13 HIS HB2 H 1 3.033 0.000 . 2 . . . . . 13 HIS HB2 . 50486 3
100 . 1 . 1 13 13 HIS HB3 H 1 3.144 0.000 . 2 . . . . . 13 HIS HB3 . 50486 3
101 . 1 . 1 13 13 HIS CA C 13 55.755 0.000 . 1 . . . . . 13 HIS CA . 50486 3
102 . 1 . 1 14 14 ILE HA H 1 4.182 0.000 . 1 . . . . . 14 ILE HA . 50486 3
103 . 1 . 1 14 14 ILE HB H 1 1.801 0.000 . 1 . . . . . 14 ILE HB . 50486 3
104 . 1 . 1 14 14 ILE HG12 H 1 1.128 0.000 . 2 . . . . . 14 ILE HG12 . 50486 3
105 . 1 . 1 14 14 ILE HG13 H 1 1.441 0.000 . 2 . . . . . 14 ILE HG13 . 50486 3
106 . 1 . 1 14 14 ILE HG21 H 1 0.872 0.000 . 1 . . . . . 14 ILE QG2 . 50486 3
107 . 1 . 1 14 14 ILE HG22 H 1 0.872 0.000 . 1 . . . . . 14 ILE QG2 . 50486 3
108 . 1 . 1 14 14 ILE HG23 H 1 0.872 0.000 . 1 . . . . . 14 ILE QG2 . 50486 3
109 . 1 . 1 14 14 ILE HD11 H 1 0.837 0.000 . 1 . . . . . 14 ILE QD1 . 50486 3
110 . 1 . 1 14 14 ILE HD12 H 1 0.837 0.000 . 1 . . . . . 14 ILE QD1 . 50486 3
111 . 1 . 1 14 14 ILE HD13 H 1 0.837 0.000 . 1 . . . . . 14 ILE QD1 . 50486 3
112 . 1 . 1 14 14 ILE CA C 13 60.792 0.000 . 1 . . . . . 14 ILE CA . 50486 3
113 . 1 . 1 14 14 ILE CB C 13 38.886 0.000 . 1 . . . . . 14 ILE CB . 50486 3
114 . 1 . 1 14 14 ILE CG1 C 13 27.273 0.001 . 1 . . . . . 14 ILE CG1 . 50486 3
115 . 1 . 1 14 14 ILE CG2 C 13 17.429 0.000 . 1 . . . . . 14 ILE CG2 . 50486 3
116 . 1 . 1 14 14 ILE CD1 C 13 12.748 0.000 . 1 . . . . . 14 ILE CD1 . 50486 3
117 . 1 . 1 15 15 SER HA H 1 4.753 0.000 . 1 . . . . . 15 SER HA . 50486 3
118 . 1 . 1 15 15 SER HB2 H 1 3.880 0.000 . 2 . . . . . 15 SER HB2 . 50486 3
119 . 1 . 1 15 15 SER HB3 H 1 3.880 0.000 . 2 . . . . . 15 SER HB3 . 50486 3
120 . 1 . 1 15 15 SER CB C 13 63.323 0.000 . 1 . . . . . 15 SER CB . 50486 3
121 . 1 . 1 16 16 PRO HA H 1 4.409 0.001 . 1 . . . . . 16 PRO HA . 50486 3
122 . 1 . 1 16 16 PRO HB2 H 1 1.933 0.003 . 2 . . . . . 16 PRO HB2 . 50486 3
123 . 1 . 1 16 16 PRO HB3 H 1 2.316 0.002 . 2 . . . . . 16 PRO HB3 . 50486 3
124 . 1 . 1 16 16 PRO HG2 H 1 2.032 0.009 . 2 . . . . . 16 PRO HG2 . 50486 3
125 . 1 . 1 16 16 PRO HG3 H 1 2.032 0.009 . 2 . . . . . 16 PRO HG3 . 50486 3
126 . 1 . 1 16 16 PRO HD2 H 1 3.766 0.002 . 2 . . . . . 16 PRO HD2 . 50486 3
127 . 1 . 1 16 16 PRO HD3 H 1 3.865 0.003 . 2 . . . . . 16 PRO HD3 . 50486 3
128 . 1 . 1 16 16 PRO CA C 13 63.640 0.000 . 1 . . . . . 16 PRO CA . 50486 3
129 . 1 . 1 16 16 PRO CB C 13 32.160 0.007 . 1 . . . . . 16 PRO CB . 50486 3
130 . 1 . 1 16 16 PRO CG C 13 27.393 0.000 . 1 . . . . . 16 PRO CG . 50486 3
131 . 1 . 1 16 16 PRO CD C 13 50.897 0.008 . 1 . . . . . 16 PRO CD . 50486 3
132 . 1 . 1 17 17 ARG HA H 1 4.329 0.000 . 1 . . . . . 17 ARG HA . 50486 3
133 . 1 . 1 17 17 ARG HB2 H 1 1.773 0.000 . 2 . . . . . 17 ARG HB2 . 50486 3
134 . 1 . 1 17 17 ARG HB3 H 1 1.837 0.000 . 2 . . . . . 17 ARG HB3 . 50486 3
135 . 1 . 1 17 17 ARG HD2 H 1 3.196 0.000 . 2 . . . . . 17 ARG HD2 . 50486 3
136 . 1 . 1 17 17 ARG HD3 H 1 3.196 0.000 . 2 . . . . . 17 ARG HD3 . 50486 3
137 . 1 . 1 17 17 ARG CA C 13 56.555 0.000 . 1 . . . . . 17 ARG CA . 50486 3
138 . 1 . 1 17 17 ARG CB C 13 30.694 0.007 . 1 . . . . . 17 ARG CB . 50486 3
139 . 1 . 1 17 17 ARG CD C 13 43.192 0.000 . 1 . . . . . 17 ARG CD . 50486 3
140 . 1 . 1 18 18 THR HA H 1 4.284 0.000 . 1 . . . . . 18 THR HA . 50486 3
141 . 1 . 1 18 18 THR HG21 H 1 1.191 0.000 . 1 . . . . . 18 THR QG2 . 50486 3
142 . 1 . 1 18 18 THR HG22 H 1 1.191 0.000 . 1 . . . . . 18 THR QG2 . 50486 3
143 . 1 . 1 18 18 THR HG23 H 1 1.191 0.000 . 1 . . . . . 18 THR QG2 . 50486 3
144 . 1 . 1 18 18 THR CA C 13 62.395 0.000 . 1 . . . . . 18 THR CA . 50486 3
145 . 1 . 1 18 18 THR CG2 C 13 21.579 0.000 . 1 . . . . . 18 THR CG2 . 50486 3
146 . 1 . 1 19 19 ILE HA H 1 4.071 0.000 . 1 . . . . . 19 ILE HA . 50486 3
147 . 1 . 1 19 19 ILE HB H 1 1.854 0.000 . 1 . . . . . 19 ILE HB . 50486 3
148 . 1 . 1 19 19 ILE HG12 H 1 1.160 0.000 . 2 . . . . . 19 ILE HG12 . 50486 3
149 . 1 . 1 19 19 ILE HG13 H 1 1.465 0.000 . 2 . . . . . 19 ILE HG13 . 50486 3
150 . 1 . 1 19 19 ILE HG21 H 1 0.902 0.000 . 1 . . . . . 19 ILE QG2 . 50486 3
151 . 1 . 1 19 19 ILE HG22 H 1 0.902 0.000 . 1 . . . . . 19 ILE QG2 . 50486 3
152 . 1 . 1 19 19 ILE HG23 H 1 0.902 0.000 . 1 . . . . . 19 ILE QG2 . 50486 3
153 . 1 . 1 19 19 ILE HD11 H 1 0.842 0.000 . 1 . . . . . 19 ILE QD1 . 50486 3
154 . 1 . 1 19 19 ILE HD12 H 1 0.842 0.000 . 1 . . . . . 19 ILE QD1 . 50486 3
155 . 1 . 1 19 19 ILE HD13 H 1 0.842 0.000 . 1 . . . . . 19 ILE QD1 . 50486 3
156 . 1 . 1 19 19 ILE CA C 13 61.613 0.000 . 1 . . . . . 19 ILE CA . 50486 3
157 . 1 . 1 19 19 ILE CB C 13 38.758 0.000 . 1 . . . . . 19 ILE CB . 50486 3
158 . 1 . 1 19 19 ILE CG1 C 13 27.522 0.015 . 1 . . . . . 19 ILE CG1 . 50486 3
159 . 1 . 1 19 19 ILE CG2 C 13 17.399 0.000 . 1 . . . . . 19 ILE CG2 . 50486 3
160 . 1 . 1 19 19 ILE CD1 C 13 12.884 0.000 . 1 . . . . . 19 ILE CD1 . 50486 3
161 . 1 . 1 20 20 ALA HA H 1 4.288 0.000 . 1 . . . . . 20 ALA HA . 50486 3
162 . 1 . 1 20 20 ALA HB1 H 1 1.378 0.000 . 1 . . . . . 20 ALA HB# . 50486 3
163 . 1 . 1 20 20 ALA HB2 H 1 1.378 0.000 . 1 . . . . . 20 ALA HB# . 50486 3
164 . 1 . 1 20 20 ALA HB3 H 1 1.378 0.000 . 1 . . . . . 20 ALA HB# . 50486 3
165 . 1 . 1 20 20 ALA CA C 13 52.765 0.000 . 1 . . . . . 20 ALA CA . 50486 3
166 . 1 . 1 20 20 ALA CB C 13 18.992 0.000 . 1 . . . . . 20 ALA CB . 50486 3
167 . 1 . 1 21 21 MET HA H 1 4.399 0.000 . 1 . . . . . 21 MET HA . 50486 3
168 . 1 . 1 21 21 MET HB2 H 1 2.035 0.000 . 2 . . . . . 21 MET HB2 . 50486 3
169 . 1 . 1 21 21 MET HB3 H 1 2.070 0.000 . 2 . . . . . 21 MET HB3 . 50486 3
170 . 1 . 1 21 21 MET HG2 H 1 2.552 0.000 . 2 . . . . . 21 MET HG2 . 50486 3
171 . 1 . 1 21 21 MET HG3 H 1 2.620 0.000 . 2 . . . . . 21 MET HG3 . 50486 3
172 . 1 . 1 21 21 MET HE1 H 1 2.086 0.000 . 1 . . . . . 21 MET HE# . 50486 3
173 . 1 . 1 21 21 MET HE2 H 1 2.086 0.000 . 1 . . . . . 21 MET HE# . 50486 3
174 . 1 . 1 21 21 MET HE3 H 1 2.086 0.000 . 1 . . . . . 21 MET HE# . 50486 3
175 . 1 . 1 21 21 MET CA C 13 55.757 0.000 . 1 . . . . . 21 MET CA . 50486 3
176 . 1 . 1 21 21 MET CB C 13 32.891 0.009 . 1 . . . . . 21 MET CB . 50486 3
177 . 1 . 1 21 21 MET CG C 13 32.044 0.000 . 1 . . . . . 21 MET CG . 50486 3
178 . 1 . 1 21 21 MET CE C 13 16.946 0.000 . 1 . . . . . 21 MET CE . 50486 3
179 . 1 . 1 22 22 ARG HA H 1 4.276 0.000 . 1 . . . . . 22 ARG HA . 50486 3
180 . 1 . 1 22 22 ARG HB2 H 1 1.769 0.000 . 2 . . . . . 22 ARG HB2 . 50486 3
181 . 1 . 1 22 22 ARG HB3 H 1 1.838 0.000 . 2 . . . . . 22 ARG HB3 . 50486 3
182 . 1 . 1 22 22 ARG HD2 H 1 3.158 0.006 . 2 . . . . . 22 ARG HD2 . 50486 3
183 . 1 . 1 22 22 ARG HD3 H 1 3.158 0.006 . 2 . . . . . 22 ARG HD3 . 50486 3
184 . 1 . 1 22 22 ARG CA C 13 56.287 0.000 . 1 . . . . . 22 ARG CA . 50486 3
185 . 1 . 1 22 22 ARG CB C 13 30.814 0.007 . 1 . . . . . 22 ARG CB . 50486 3
186 . 1 . 1 22 22 ARG CD C 13 43.391 0.000 . 1 . . . . . 22 ARG CD . 50486 3
187 . 1 . 1 23 23 ALA HA H 1 4.318 0.000 . 1 . . . . . 23 ALA HA . 50486 3
188 . 1 . 1 23 23 ALA HB1 H 1 1.381 0.000 . 1 . . . . . 23 ALA HB# . 50486 3
189 . 1 . 1 23 23 ALA HB2 H 1 1.381 0.000 . 1 . . . . . 23 ALA HB# . 50486 3
190 . 1 . 1 23 23 ALA HB3 H 1 1.381 0.000 . 1 . . . . . 23 ALA HB# . 50486 3
191 . 1 . 1 23 23 ALA CA C 13 52.502 0.000 . 1 . . . . . 23 ALA CA . 50486 3
192 . 1 . 1 23 23 ALA CB C 13 19.109 0.000 . 1 . . . . . 23 ALA CB . 50486 3
193 . 1 . 1 24 24 ILE HA H 1 4.109 0.000 . 1 . . . . . 24 ILE HA . 50486 3
194 . 1 . 1 24 24 ILE HB H 1 1.854 0.000 . 1 . . . . . 24 ILE HB . 50486 3
195 . 1 . 1 24 24 ILE HG12 H 1 1.177 0.000 . 2 . . . . . 24 ILE HG12 . 50486 3
196 . 1 . 1 24 24 ILE HG13 H 1 1.470 0.000 . 2 . . . . . 24 ILE HG13 . 50486 3
197 . 1 . 1 24 24 ILE HG21 H 1 0.886 0.000 . 1 . . . . . 24 ILE QG2 . 50486 3
198 . 1 . 1 24 24 ILE HG22 H 1 0.886 0.000 . 1 . . . . . 24 ILE QG2 . 50486 3
199 . 1 . 1 24 24 ILE HG23 H 1 0.886 0.000 . 1 . . . . . 24 ILE QG2 . 50486 3
200 . 1 . 1 24 24 ILE HD11 H 1 0.847 0.000 . 1 . . . . . 24 ILE QD1 . 50486 3
201 . 1 . 1 24 24 ILE HD12 H 1 0.847 0.000 . 1 . . . . . 24 ILE QD1 . 50486 3
202 . 1 . 1 24 24 ILE HD13 H 1 0.847 0.000 . 1 . . . . . 24 ILE QD1 . 50486 3
203 . 1 . 1 24 24 ILE CA C 13 61.275 0.000 . 1 . . . . . 24 ILE CA . 50486 3
204 . 1 . 1 24 24 ILE CB C 13 38.758 0.000 . 1 . . . . . 24 ILE CB . 50486 3
205 . 1 . 1 24 24 ILE CG1 C 13 27.413 0.015 . 1 . . . . . 24 ILE CG1 . 50486 3
206 . 1 . 1 24 24 ILE CG2 C 13 17.579 0.000 . 1 . . . . . 24 ILE CG2 . 50486 3
207 . 1 . 1 24 24 ILE CD1 C 13 13.017 0.000 . 1 . . . . . 24 ILE CD1 . 50486 3
208 . 1 . 1 25 25 ASN HA H 1 4.659 0.002 . 1 . . . . . 25 ASN HA . 50486 3
209 . 1 . 1 25 25 ASN HB2 H 1 2.702 0.001 . 2 . . . . . 25 ASN HB2 . 50486 3
210 . 1 . 1 25 25 ASN HB3 H 1 2.745 0.008 . 2 . . . . . 25 ASN HB3 . 50486 3
211 . 1 . 1 25 25 ASN CA C 13 53.195 0.000 . 1 . . . . . 25 ASN CA . 50486 3
212 . 1 . 1 25 25 ASN CB C 13 38.810 0.000 . 1 . . . . . 25 ASN CB . 50486 3
213 . 1 . 1 26 26 ASN HA H 1 4.656 0.000 . 1 . . . . . 26 ASN HA . 50486 3
214 . 1 . 1 26 26 ASN HB2 H 1 2.685 0.000 . 2 . . . . . 26 ASN HB2 . 50486 3
215 . 1 . 1 26 26 ASN HB3 H 1 2.738 0.000 . 2 . . . . . 26 ASN HB3 . 50486 3
216 . 1 . 1 26 26 ASN CA C 13 53.195 0.000 . 1 . . . . . 26 ASN CA . 50486 3
217 . 1 . 1 26 26 ASN CB C 13 38.635 0.002 . 1 . . . . . 26 ASN CB . 50486 3
218 . 1 . 1 27 27 TYR HA H 1 4.435 0.000 . 1 . . . . . 27 TYR HA . 50486 3
219 . 1 . 1 27 27 TYR HB2 H 1 2.928 0.001 . 2 . . . . . 27 TYR HB2 . 50486 3
220 . 1 . 1 27 27 TYR HB3 H 1 2.928 0.001 . 2 . . . . . 27 TYR HB3 . 50486 3
221 . 1 . 1 27 27 TYR CA C 13 58.288 0.000 . 1 . . . . . 27 TYR CA . 50486 3
222 . 1 . 1 27 27 TYR CB C 13 38.327 0.000 . 1 . . . . . 27 TYR CB . 50486 3
223 . 1 . 1 28 28 ARG HA H 1 4.170 0.005 . 1 . . . . . 28 ARG HA . 50486 3
224 . 1 . 1 28 28 ARG HB2 H 1 1.591 0.000 . 2 . . . . . 28 ARG HB2 . 50486 3
225 . 1 . 1 28 28 ARG HB3 H 1 1.629 0.000 . 2 . . . . . 28 ARG HB3 . 50486 3
226 . 1 . 1 28 28 ARG HG2 H 1 1.383 0.000 . 2 . . . . . 28 ARG HG2 . 50486 3
227 . 1 . 1 28 28 ARG HG3 H 1 1.383 0.000 . 2 . . . . . 28 ARG HG3 . 50486 3
228 . 1 . 1 28 28 ARG HD2 H 1 3.073 0.004 . 2 . . . . . 28 ARG HD2 . 50486 3
229 . 1 . 1 28 28 ARG HD3 H 1 3.073 0.004 . 2 . . . . . 28 ARG HD3 . 50486 3
230 . 1 . 1 28 28 ARG CA C 13 56.211 0.000 . 1 . . . . . 28 ARG CA . 50486 3
231 . 1 . 1 28 28 ARG CB C 13 30.498 0.011 . 1 . . . . . 28 ARG CB . 50486 3
232 . 1 . 1 28 28 ARG CG C 13 26.884 0.000 . 1 . . . . . 28 ARG CG . 50486 3
233 . 1 . 1 28 28 ARG CD C 13 43.204 0.000 . 1 . . . . . 28 ARG CD . 50486 3
234 . 1 . 1 29 29 TRP HA H 1 4.605 0.001 . 1 . . . . . 29 TRP HA . 50486 3
235 . 1 . 1 29 29 TRP HB2 H 1 3.276 0.001 . 2 . . . . . 29 TRP HB2 . 50486 3
236 . 1 . 1 29 29 TRP HB3 H 1 3.276 0.001 . 2 . . . . . 29 TRP HB3 . 50486 3
237 . 1 . 1 29 29 TRP CA C 13 57.344 0.000 . 1 . . . . . 29 TRP CA . 50486 3
238 . 1 . 1 29 29 TRP CB C 13 29.340 0.000 . 1 . . . . . 29 TRP CB . 50486 3
239 . 1 . 1 30 30 ARG HA H 1 4.140 0.003 . 1 . . . . . 30 ARG HA . 50486 3
240 . 1 . 1 30 30 ARG HB2 H 1 1.554 0.002 . 2 . . . . . 30 ARG HB2 . 50486 3
241 . 1 . 1 30 30 ARG HB3 H 1 1.732 0.002 . 2 . . . . . 30 ARG HB3 . 50486 3
242 . 1 . 1 30 30 ARG HG2 H 1 1.383 0.000 . 2 . . . . . 30 ARG HG2 . 50486 3
243 . 1 . 1 30 30 ARG HG3 H 1 1.383 0.000 . 2 . . . . . 30 ARG HG3 . 50486 3
244 . 1 . 1 30 30 ARG HD2 H 1 3.068 0.000 . 2 . . . . . 30 ARG HD2 . 50486 3
245 . 1 . 1 30 30 ARG HD3 H 1 3.068 0.000 . 2 . . . . . 30 ARG HD3 . 50486 3
246 . 1 . 1 30 30 ARG CA C 13 55.735 0.000 . 1 . . . . . 30 ARG CA . 50486 3
247 . 1 . 1 30 30 ARG CB C 13 30.792 0.000 . 1 . . . . . 30 ARG CB . 50486 3
248 . 1 . 1 30 30 ARG CG C 13 26.884 0.000 . 1 . . . . . 30 ARG CG . 50486 3
249 . 1 . 1 30 30 ARG CD C 13 43.204 0.000 . 1 . . . . . 30 ARG CD . 50486 3
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